USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 608 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 68 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 71 SER OG : rot 110:sc= 0.941 USER MOD Set 2.1: A 2 GLN : amide:sc= -3.51! C(o=-3.5!,f=-7.6!) USER MOD Set 2.2: A 81 THR OG1 : rot -160:sc= 0 USER MOD Single : A 1 MET CE :methyl 163:sc= -0.733 (180deg=-0.939) USER MOD Single : A 1 MET N :NH3+ -135:sc= -1.68 (180deg=-5.28!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -2.82! C(o=-2.8!,f=-5.1!) USER MOD Single : A 33 ASN : amide:sc= -8.85! C(o=-8.9!,f=-9.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -4.46 K(o=-4.5,f=-9.5!) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.130 13.851 1.592 1.00 0.00 N ATOM 2 CA MET A 1 -1.586 14.051 1.347 1.00 0.00 C ATOM 3 C MET A 1 -2.351 13.804 2.647 1.00 0.00 C ATOM 4 O MET A 1 -2.054 14.383 3.673 1.00 0.00 O ATOM 5 CB MET A 1 -2.065 13.057 0.287 1.00 0.00 C ATOM 6 CG MET A 1 -1.209 13.201 -0.971 1.00 0.00 C ATOM 7 SD MET A 1 -1.920 12.205 -2.306 1.00 0.00 S ATOM 8 CE MET A 1 -3.366 13.244 -2.632 1.00 0.00 C ATOM 0 H1 MET A 1 0.406 14.625 1.151 1.00 0.00 H new ATOM 0 H2 MET A 1 0.052 13.844 2.616 1.00 0.00 H new ATOM 0 H3 MET A 1 0.170 12.944 1.181 1.00 0.00 H new ATOM 0 HA MET A 1 -1.762 15.069 1.000 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.998 12.039 0.671 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.113 13.239 0.049 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.159 14.248 -1.271 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.188 12.879 -0.767 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.784 12.990 -3.606 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.117 13.075 -1.860 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.069 14.293 -2.626 1.00 0.00 H new ATOM 20 N GLN A 2 -3.327 12.939 2.616 1.00 0.00 N ATOM 21 CA GLN A 2 -4.100 12.647 3.854 1.00 0.00 C ATOM 22 C GLN A 2 -3.487 11.424 4.537 1.00 0.00 C ATOM 23 O GLN A 2 -3.393 10.361 3.955 1.00 0.00 O ATOM 24 CB GLN A 2 -5.556 12.351 3.489 1.00 0.00 C ATOM 25 CG GLN A 2 -6.175 13.580 2.823 1.00 0.00 C ATOM 26 CD GLN A 2 -7.626 13.280 2.442 1.00 0.00 C ATOM 27 OE1 GLN A 2 -8.030 12.135 2.397 1.00 0.00 O ATOM 28 NE2 GLN A 2 -8.432 14.268 2.164 1.00 0.00 N ATOM 0 H GLN A 2 -3.622 12.423 1.787 1.00 0.00 H new ATOM 0 HA GLN A 2 -4.066 13.505 4.525 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.606 11.495 2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.120 12.086 4.384 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -6.135 14.433 3.501 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.604 13.852 1.935 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -8.093 15.229 2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.401 14.079 1.909 1.00 0.00 H new ATOM 37 N HIS A 3 -3.059 11.562 5.761 1.00 0.00 N ATOM 38 CA HIS A 3 -2.446 10.399 6.460 1.00 0.00 C ATOM 39 C HIS A 3 -1.402 9.764 5.540 1.00 0.00 C ATOM 40 O HIS A 3 -1.226 8.562 5.519 1.00 0.00 O ATOM 41 CB HIS A 3 -3.530 9.373 6.794 1.00 0.00 C ATOM 42 CG HIS A 3 -4.611 10.031 7.605 1.00 0.00 C ATOM 43 ND1 HIS A 3 -5.726 10.616 7.018 1.00 0.00 N ATOM 44 CD2 HIS A 3 -4.765 10.207 8.959 1.00 0.00 C ATOM 45 CE1 HIS A 3 -6.493 11.111 8.008 1.00 0.00 C ATOM 46 NE2 HIS A 3 -5.951 10.888 9.206 1.00 0.00 N ATOM 0 H HIS A 3 -3.107 12.424 6.304 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.971 10.729 7.384 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -3.949 8.960 5.877 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -3.099 8.541 7.350 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.072 9.868 9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -7.430 11.625 7.851 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -6.328 11.160 10.114 1.00 0.00 H new ATOM 55 N ALA A 4 -0.714 10.565 4.773 1.00 0.00 N ATOM 56 CA ALA A 4 0.314 10.016 3.844 1.00 0.00 C ATOM 57 C ALA A 4 1.382 9.266 4.643 1.00 0.00 C ATOM 58 O ALA A 4 1.912 8.266 4.201 1.00 0.00 O ATOM 59 CB ALA A 4 0.969 11.166 3.077 1.00 0.00 C ATOM 0 H ALA A 4 -0.820 11.579 4.750 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.161 9.330 3.143 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.722 10.768 2.397 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.210 11.701 2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.443 11.850 3.781 1.00 0.00 H new ATOM 65 N SER A 5 1.707 9.741 5.814 1.00 0.00 N ATOM 66 CA SER A 5 2.745 9.054 6.634 1.00 0.00 C ATOM 67 C SER A 5 2.308 7.617 6.923 1.00 0.00 C ATOM 68 O SER A 5 3.109 6.703 6.922 1.00 0.00 O ATOM 69 CB SER A 5 2.931 9.805 7.952 1.00 0.00 C ATOM 70 OG SER A 5 3.227 11.169 7.679 1.00 0.00 O ATOM 0 H SER A 5 1.299 10.574 6.238 1.00 0.00 H new ATOM 0 HA SER A 5 3.687 9.040 6.085 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.027 9.731 8.556 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.738 9.354 8.530 1.00 0.00 H new ATOM 0 HG SER A 5 3.345 11.653 8.523 1.00 0.00 H new ATOM 76 N VAL A 6 1.045 7.409 7.170 1.00 0.00 N ATOM 77 CA VAL A 6 0.560 6.030 7.458 1.00 0.00 C ATOM 78 C VAL A 6 0.748 5.152 6.221 1.00 0.00 C ATOM 79 O VAL A 6 1.094 3.993 6.316 1.00 0.00 O ATOM 80 CB VAL A 6 -0.921 6.072 7.827 1.00 0.00 C ATOM 81 CG1 VAL A 6 -1.465 4.644 7.926 1.00 0.00 C ATOM 82 CG2 VAL A 6 -1.091 6.777 9.175 1.00 0.00 C ATOM 0 H VAL A 6 0.328 8.134 7.185 1.00 0.00 H new ATOM 0 HA VAL A 6 1.130 5.616 8.290 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.470 6.617 7.059 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.522 4.675 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.345 4.141 6.966 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.916 4.098 8.693 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.148 6.807 9.439 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.541 6.232 9.942 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.705 7.794 9.105 1.00 0.00 H new ATOM 92 N ILE A 7 0.512 5.697 5.062 1.00 0.00 N ATOM 93 CA ILE A 7 0.663 4.896 3.816 1.00 0.00 C ATOM 94 C ILE A 7 2.097 4.377 3.702 1.00 0.00 C ATOM 95 O ILE A 7 2.326 3.221 3.407 1.00 0.00 O ATOM 96 CB ILE A 7 0.347 5.783 2.613 1.00 0.00 C ATOM 97 CG1 ILE A 7 -1.080 6.321 2.746 1.00 0.00 C ATOM 98 CG2 ILE A 7 0.466 4.965 1.326 1.00 0.00 C ATOM 99 CD1 ILE A 7 -1.350 7.337 1.636 1.00 0.00 C ATOM 0 H ILE A 7 0.220 6.664 4.923 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.022 4.048 3.843 1.00 0.00 H new ATOM 0 HB ILE A 7 1.051 6.614 2.577 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.796 5.501 2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.214 6.789 3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.240 5.600 0.469 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.481 4.578 1.233 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.238 4.133 1.357 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.366 7.719 1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.643 8.162 1.718 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.234 6.855 0.665 1.00 0.00 H new ATOM 111 N ALA A 8 3.064 5.219 3.933 1.00 0.00 N ATOM 112 CA ALA A 8 4.479 4.765 3.837 1.00 0.00 C ATOM 113 C ALA A 8 4.734 3.693 4.894 1.00 0.00 C ATOM 114 O ALA A 8 5.304 2.656 4.620 1.00 0.00 O ATOM 115 CB ALA A 8 5.414 5.950 4.079 1.00 0.00 C ATOM 0 H ALA A 8 2.937 6.200 4.184 1.00 0.00 H new ATOM 0 HA ALA A 8 4.665 4.355 2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 8 6.449 5.617 4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 8 5.228 6.719 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.232 6.360 5.072 1.00 0.00 H new ATOM 121 N GLN A 9 4.306 3.935 6.098 1.00 0.00 N ATOM 122 CA GLN A 9 4.509 2.934 7.179 1.00 0.00 C ATOM 123 C GLN A 9 3.630 1.709 6.912 1.00 0.00 C ATOM 124 O GLN A 9 3.984 0.596 7.239 1.00 0.00 O ATOM 125 CB GLN A 9 4.180 3.574 8.539 1.00 0.00 C ATOM 126 CG GLN A 9 2.796 3.140 9.033 1.00 0.00 C ATOM 127 CD GLN A 9 2.857 1.707 9.570 1.00 0.00 C ATOM 128 OE1 GLN A 9 3.810 1.331 10.224 1.00 0.00 O ATOM 129 NE2 GLN A 9 1.873 0.888 9.320 1.00 0.00 N ATOM 0 H GLN A 9 3.822 4.787 6.382 1.00 0.00 H new ATOM 0 HA GLN A 9 5.549 2.609 7.199 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.936 3.290 9.271 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.214 4.660 8.451 1.00 0.00 H new ATOM 0 HG2 GLN A 9 2.452 3.816 9.816 1.00 0.00 H new ATOM 0 HG3 GLN A 9 2.074 3.201 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.073 1.204 8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.903 -0.068 9.673 1.00 0.00 H new ATOM 138 N PHE A 10 2.479 1.908 6.330 1.00 0.00 N ATOM 139 CA PHE A 10 1.570 0.758 6.059 1.00 0.00 C ATOM 140 C PHE A 10 2.269 -0.263 5.160 1.00 0.00 C ATOM 141 O PHE A 10 2.342 -1.433 5.477 1.00 0.00 O ATOM 142 CB PHE A 10 0.318 1.285 5.352 1.00 0.00 C ATOM 143 CG PHE A 10 -0.704 0.184 5.203 1.00 0.00 C ATOM 144 CD1 PHE A 10 -1.647 -0.030 6.214 1.00 0.00 C ATOM 145 CD2 PHE A 10 -0.720 -0.610 4.050 1.00 0.00 C ATOM 146 CE1 PHE A 10 -2.606 -1.039 6.074 1.00 0.00 C ATOM 147 CE2 PHE A 10 -1.681 -1.618 3.909 1.00 0.00 C ATOM 148 CZ PHE A 10 -2.623 -1.833 4.922 1.00 0.00 C ATOM 0 H PHE A 10 2.129 2.818 6.030 1.00 0.00 H new ATOM 0 HA PHE A 10 1.300 0.273 6.997 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -0.108 2.111 5.921 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.585 1.678 4.371 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.635 0.584 7.103 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.009 -0.445 3.270 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.333 -1.205 6.855 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.696 -2.230 3.019 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.363 -2.612 4.814 1.00 0.00 H new ATOM 158 N VAL A 11 2.788 0.168 4.047 1.00 0.00 N ATOM 159 CA VAL A 11 3.486 -0.785 3.137 1.00 0.00 C ATOM 160 C VAL A 11 4.860 -1.149 3.711 1.00 0.00 C ATOM 161 O VAL A 11 5.282 -2.287 3.664 1.00 0.00 O ATOM 162 CB VAL A 11 3.652 -0.148 1.755 1.00 0.00 C ATOM 163 CG1 VAL A 11 4.797 0.862 1.787 1.00 0.00 C ATOM 164 CG2 VAL A 11 3.964 -1.239 0.729 1.00 0.00 C ATOM 0 H VAL A 11 2.761 1.136 3.726 1.00 0.00 H new ATOM 0 HA VAL A 11 2.890 -1.693 3.046 1.00 0.00 H new ATOM 0 HB VAL A 11 2.729 0.363 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.912 1.313 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.576 1.639 2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.721 0.355 2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.083 -0.789 -0.256 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.886 -1.748 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.146 -1.959 0.703 1.00 0.00 H new ATOM 174 N VAL A 12 5.567 -0.185 4.239 1.00 0.00 N ATOM 175 CA VAL A 12 6.922 -0.465 4.801 1.00 0.00 C ATOM 176 C VAL A 12 6.818 -1.404 6.008 1.00 0.00 C ATOM 177 O VAL A 12 7.655 -2.262 6.207 1.00 0.00 O ATOM 178 CB VAL A 12 7.580 0.848 5.230 1.00 0.00 C ATOM 179 CG1 VAL A 12 8.985 0.571 5.769 1.00 0.00 C ATOM 180 CG2 VAL A 12 7.680 1.791 4.028 1.00 0.00 C ATOM 0 H VAL A 12 5.264 0.787 4.306 1.00 0.00 H new ATOM 0 HA VAL A 12 7.528 -0.946 4.033 1.00 0.00 H new ATOM 0 HB VAL A 12 6.975 1.311 6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 12 9.449 1.509 6.073 1.00 0.00 H new ATOM 0 HG12 VAL A 12 8.920 -0.097 6.628 1.00 0.00 H new ATOM 0 HG13 VAL A 12 9.588 0.103 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 12 8.149 2.725 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 12 8.281 1.324 3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 12 6.681 1.996 3.643 1.00 0.00 H new ATOM 190 N GLU A 13 5.812 -1.244 6.823 1.00 0.00 N ATOM 191 CA GLU A 13 5.680 -2.124 8.022 1.00 0.00 C ATOM 192 C GLU A 13 5.673 -3.587 7.589 1.00 0.00 C ATOM 193 O GLU A 13 6.136 -4.457 8.299 1.00 0.00 O ATOM 194 CB GLU A 13 4.383 -1.805 8.764 1.00 0.00 C ATOM 195 CG GLU A 13 4.305 -2.646 10.036 1.00 0.00 C ATOM 196 CD GLU A 13 2.971 -2.389 10.738 1.00 0.00 C ATOM 197 OE1 GLU A 13 2.197 -1.600 10.223 1.00 0.00 O ATOM 198 OE2 GLU A 13 2.747 -2.985 11.778 1.00 0.00 O ATOM 0 H GLU A 13 5.077 -0.545 6.713 1.00 0.00 H new ATOM 0 HA GLU A 13 6.526 -1.946 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 13 4.345 -0.745 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.525 -2.013 8.125 1.00 0.00 H new ATOM 0 HG2 GLU A 13 4.401 -3.704 9.791 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.132 -2.396 10.701 1.00 0.00 H new ATOM 205 N GLU A 14 5.150 -3.870 6.431 1.00 0.00 N ATOM 206 CA GLU A 14 5.115 -5.280 5.961 1.00 0.00 C ATOM 207 C GLU A 14 6.544 -5.783 5.736 1.00 0.00 C ATOM 208 O GLU A 14 6.833 -6.951 5.906 1.00 0.00 O ATOM 209 CB GLU A 14 4.331 -5.366 4.652 1.00 0.00 C ATOM 210 CG GLU A 14 4.169 -6.833 4.259 1.00 0.00 C ATOM 211 CD GLU A 14 3.475 -6.927 2.900 1.00 0.00 C ATOM 212 OE1 GLU A 14 3.187 -5.888 2.333 1.00 0.00 O ATOM 213 OE2 GLU A 14 3.243 -8.038 2.451 1.00 0.00 O ATOM 0 H GLU A 14 4.746 -3.187 5.790 1.00 0.00 H new ATOM 0 HA GLU A 14 4.628 -5.899 6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.353 -4.898 4.768 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.853 -4.822 3.865 1.00 0.00 H new ATOM 0 HG2 GLU A 14 5.144 -7.318 4.215 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.585 -7.360 5.014 1.00 0.00 H new ATOM 220 N PHE A 15 7.440 -4.914 5.352 1.00 0.00 N ATOM 221 CA PHE A 15 8.845 -5.354 5.115 1.00 0.00 C ATOM 222 C PHE A 15 9.816 -4.279 5.615 1.00 0.00 C ATOM 223 O PHE A 15 10.762 -3.925 4.941 1.00 0.00 O ATOM 224 CB PHE A 15 9.059 -5.586 3.616 1.00 0.00 C ATOM 225 CG PHE A 15 8.984 -4.269 2.879 1.00 0.00 C ATOM 226 CD1 PHE A 15 7.738 -3.698 2.594 1.00 0.00 C ATOM 227 CD2 PHE A 15 10.159 -3.622 2.475 1.00 0.00 C ATOM 228 CE1 PHE A 15 7.666 -2.480 1.908 1.00 0.00 C ATOM 229 CE2 PHE A 15 10.087 -2.405 1.788 1.00 0.00 C ATOM 230 CZ PHE A 15 8.841 -1.833 1.505 1.00 0.00 C ATOM 0 H PHE A 15 7.261 -3.923 5.193 1.00 0.00 H new ATOM 0 HA PHE A 15 9.030 -6.282 5.657 1.00 0.00 H new ATOM 0 HB2 PHE A 15 10.029 -6.054 3.446 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.303 -6.271 3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.832 -4.197 2.904 1.00 0.00 H new ATOM 0 HD2 PHE A 15 11.121 -4.062 2.694 1.00 0.00 H new ATOM 0 HE1 PHE A 15 6.705 -2.039 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 15 10.993 -1.907 1.476 1.00 0.00 H new ATOM 0 HZ PHE A 15 8.786 -0.893 0.976 1.00 0.00 H new ATOM 240 N LEU A 16 9.595 -3.756 6.791 1.00 0.00 N ATOM 241 CA LEU A 16 10.510 -2.707 7.320 1.00 0.00 C ATOM 242 C LEU A 16 11.768 -3.359 7.910 1.00 0.00 C ATOM 243 O LEU A 16 11.678 -4.276 8.701 1.00 0.00 O ATOM 244 CB LEU A 16 9.787 -1.871 8.395 1.00 0.00 C ATOM 245 CG LEU A 16 10.052 -2.392 9.820 1.00 0.00 C ATOM 246 CD1 LEU A 16 9.319 -1.494 10.818 1.00 0.00 C ATOM 247 CD2 LEU A 16 9.533 -3.825 9.977 1.00 0.00 C ATOM 0 H LEU A 16 8.822 -4.010 7.406 1.00 0.00 H new ATOM 0 HA LEU A 16 10.806 -2.048 6.504 1.00 0.00 H new ATOM 0 HB2 LEU A 16 10.112 -0.833 8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 16 8.715 -1.883 8.200 1.00 0.00 H new ATOM 0 HG LEU A 16 11.126 -2.381 10.005 1.00 0.00 H new ATOM 0 HD11 LEU A 16 9.499 -1.853 11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 16 9.685 -0.472 10.725 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.249 -1.516 10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 16 9.730 -4.174 10.991 1.00 0.00 H new ATOM 0 HD22 LEU A 16 8.460 -3.846 9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.040 -4.476 9.264 1.00 0.00 H new ATOM 259 N PRO A 17 12.938 -2.883 7.554 1.00 0.00 N ATOM 260 CA PRO A 17 14.210 -3.432 8.095 1.00 0.00 C ATOM 261 C PRO A 17 14.431 -2.953 9.533 1.00 0.00 C ATOM 262 O PRO A 17 13.490 -2.663 10.245 1.00 0.00 O ATOM 263 CB PRO A 17 15.275 -2.862 7.154 1.00 0.00 C ATOM 264 CG PRO A 17 14.699 -1.585 6.645 1.00 0.00 C ATOM 265 CD PRO A 17 13.187 -1.778 6.606 1.00 0.00 C ATOM 0 HA PRO A 17 14.226 -4.521 8.136 1.00 0.00 H new ATOM 0 HB2 PRO A 17 16.214 -2.689 7.680 1.00 0.00 H new ATOM 0 HB3 PRO A 17 15.489 -3.551 6.337 1.00 0.00 H new ATOM 0 HG2 PRO A 17 14.967 -0.752 7.295 1.00 0.00 H new ATOM 0 HG3 PRO A 17 15.086 -1.353 5.653 1.00 0.00 H new ATOM 0 HD2 PRO A 17 12.662 -0.871 6.905 1.00 0.00 H new ATOM 0 HD3 PRO A 17 12.843 -2.029 5.603 1.00 0.00 H new ATOM 273 N ASP A 18 15.652 -2.850 9.966 1.00 0.00 N ATOM 274 CA ASP A 18 15.904 -2.373 11.348 1.00 0.00 C ATOM 275 C ASP A 18 15.719 -0.854 11.385 1.00 0.00 C ATOM 276 O ASP A 18 16.086 -0.195 12.337 1.00 0.00 O ATOM 277 CB ASP A 18 17.332 -2.728 11.751 1.00 0.00 C ATOM 278 CG ASP A 18 17.468 -4.247 11.871 1.00 0.00 C ATOM 279 OD1 ASP A 18 16.448 -4.915 11.865 1.00 0.00 O ATOM 280 OD2 ASP A 18 18.590 -4.716 11.966 1.00 0.00 O ATOM 0 H ASP A 18 16.486 -3.075 9.423 1.00 0.00 H new ATOM 0 HA ASP A 18 15.208 -2.845 12.041 1.00 0.00 H new ATOM 0 HB2 ASP A 18 18.035 -2.347 11.010 1.00 0.00 H new ATOM 0 HB3 ASP A 18 17.581 -2.254 12.700 1.00 0.00 H new ATOM 285 N VAL A 19 15.156 -0.297 10.343 1.00 0.00 N ATOM 286 CA VAL A 19 14.948 1.179 10.295 1.00 0.00 C ATOM 287 C VAL A 19 13.450 1.491 10.319 1.00 0.00 C ATOM 288 O VAL A 19 12.666 0.866 9.634 1.00 0.00 O ATOM 289 CB VAL A 19 15.549 1.730 9.003 1.00 0.00 C ATOM 290 CG1 VAL A 19 15.475 3.258 9.016 1.00 0.00 C ATOM 291 CG2 VAL A 19 17.010 1.290 8.891 1.00 0.00 C ATOM 0 H VAL A 19 14.831 -0.805 9.520 1.00 0.00 H new ATOM 0 HA VAL A 19 15.430 1.639 11.158 1.00 0.00 H new ATOM 0 HB VAL A 19 14.989 1.347 8.150 1.00 0.00 H new ATOM 0 HG11 VAL A 19 15.904 3.651 8.094 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.434 3.571 9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.034 3.642 9.869 1.00 0.00 H new ATOM 0 HG21 VAL A 19 17.439 1.683 7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 19 17.571 1.672 9.744 1.00 0.00 H new ATOM 0 HG23 VAL A 19 17.062 0.201 8.880 1.00 0.00 H new ATOM 301 N ALA A 20 13.047 2.461 11.094 1.00 0.00 N ATOM 302 CA ALA A 20 11.601 2.814 11.146 1.00 0.00 C ATOM 303 C ALA A 20 11.208 3.498 9.824 1.00 0.00 C ATOM 304 O ALA A 20 11.951 4.312 9.313 1.00 0.00 O ATOM 305 CB ALA A 20 11.357 3.780 12.308 1.00 0.00 C ATOM 0 H ALA A 20 13.655 3.022 11.691 1.00 0.00 H new ATOM 0 HA ALA A 20 11.004 1.914 11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.299 4.040 12.349 1.00 0.00 H new ATOM 0 HB2 ALA A 20 11.650 3.305 13.244 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.948 4.684 12.160 1.00 0.00 H new ATOM 311 N PRO A 21 10.056 3.190 9.266 1.00 0.00 N ATOM 312 CA PRO A 21 9.606 3.819 7.989 1.00 0.00 C ATOM 313 C PRO A 21 9.752 5.343 8.013 1.00 0.00 C ATOM 314 O PRO A 21 9.983 5.971 6.999 1.00 0.00 O ATOM 315 CB PRO A 21 8.129 3.438 7.888 1.00 0.00 C ATOM 316 CG PRO A 21 7.971 2.200 8.705 1.00 0.00 C ATOM 317 CD PRO A 21 9.067 2.218 9.772 1.00 0.00 C ATOM 0 HA PRO A 21 10.204 3.478 7.144 1.00 0.00 H new ATOM 0 HB2 PRO A 21 7.492 4.239 8.264 1.00 0.00 H new ATOM 0 HB3 PRO A 21 7.841 3.262 6.852 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.985 2.168 9.168 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.059 1.312 8.079 1.00 0.00 H new ATOM 0 HD2 PRO A 21 8.672 2.521 10.742 1.00 0.00 H new ATOM 0 HD3 PRO A 21 9.511 1.231 9.903 1.00 0.00 H new ATOM 325 N ALA A 22 9.622 5.940 9.164 1.00 0.00 N ATOM 326 CA ALA A 22 9.758 7.421 9.257 1.00 0.00 C ATOM 327 C ALA A 22 11.196 7.821 8.918 1.00 0.00 C ATOM 328 O ALA A 22 11.462 8.930 8.500 1.00 0.00 O ATOM 329 CB ALA A 22 9.425 7.874 10.680 1.00 0.00 C ATOM 0 H ALA A 22 9.427 5.466 10.046 1.00 0.00 H new ATOM 0 HA ALA A 22 9.073 7.895 8.555 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.524 8.957 10.750 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.402 7.587 10.923 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.111 7.401 11.382 1.00 0.00 H new ATOM 335 N ASP A 23 12.124 6.921 9.096 1.00 0.00 N ATOM 336 CA ASP A 23 13.546 7.239 8.788 1.00 0.00 C ATOM 337 C ASP A 23 13.906 6.662 7.419 1.00 0.00 C ATOM 338 O ASP A 23 15.043 6.711 6.992 1.00 0.00 O ATOM 339 CB ASP A 23 14.451 6.623 9.857 1.00 0.00 C ATOM 340 CG ASP A 23 14.200 7.313 11.199 1.00 0.00 C ATOM 341 OD1 ASP A 23 13.555 8.349 11.198 1.00 0.00 O ATOM 342 OD2 ASP A 23 14.656 6.795 12.204 1.00 0.00 O ATOM 0 H ASP A 23 11.957 5.976 9.443 1.00 0.00 H new ATOM 0 HA ASP A 23 13.685 8.320 8.777 1.00 0.00 H new ATOM 0 HB2 ASP A 23 14.254 5.554 9.943 1.00 0.00 H new ATOM 0 HB3 ASP A 23 15.497 6.732 9.570 1.00 0.00 H new ATOM 347 N VAL A 24 12.942 6.120 6.729 1.00 0.00 N ATOM 348 CA VAL A 24 13.217 5.542 5.385 1.00 0.00 C ATOM 349 C VAL A 24 12.665 6.485 4.319 1.00 0.00 C ATOM 350 O VAL A 24 11.583 7.022 4.454 1.00 0.00 O ATOM 351 CB VAL A 24 12.536 4.178 5.263 1.00 0.00 C ATOM 352 CG1 VAL A 24 12.873 3.559 3.905 1.00 0.00 C ATOM 353 CG2 VAL A 24 13.037 3.257 6.378 1.00 0.00 C ATOM 0 H VAL A 24 11.973 6.052 7.039 1.00 0.00 H new ATOM 0 HA VAL A 24 14.291 5.418 5.250 1.00 0.00 H new ATOM 0 HB VAL A 24 11.457 4.302 5.349 1.00 0.00 H new ATOM 0 HG11 VAL A 24 12.388 2.587 3.818 1.00 0.00 H new ATOM 0 HG12 VAL A 24 12.519 4.214 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 24 13.953 3.435 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 24 12.552 2.285 6.292 1.00 0.00 H new ATOM 0 HG22 VAL A 24 14.116 3.133 6.290 1.00 0.00 H new ATOM 0 HG23 VAL A 24 12.800 3.696 7.347 1.00 0.00 H new ATOM 363 N ASP A 25 13.398 6.701 3.265 1.00 0.00 N ATOM 364 CA ASP A 25 12.908 7.620 2.204 1.00 0.00 C ATOM 365 C ASP A 25 11.665 7.022 1.546 1.00 0.00 C ATOM 366 O ASP A 25 11.755 6.213 0.644 1.00 0.00 O ATOM 367 CB ASP A 25 14.001 7.813 1.151 1.00 0.00 C ATOM 368 CG ASP A 25 15.182 8.561 1.772 1.00 0.00 C ATOM 369 OD1 ASP A 25 15.019 9.087 2.860 1.00 0.00 O ATOM 370 OD2 ASP A 25 16.230 8.594 1.149 1.00 0.00 O ATOM 0 H ASP A 25 14.312 6.283 3.093 1.00 0.00 H new ATOM 0 HA ASP A 25 12.656 8.584 2.646 1.00 0.00 H new ATOM 0 HB2 ASP A 25 14.329 6.846 0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 25 13.608 8.373 0.302 1.00 0.00 H new ATOM 375 N VAL A 26 10.503 7.416 1.992 1.00 0.00 N ATOM 376 CA VAL A 26 9.250 6.875 1.392 1.00 0.00 C ATOM 377 C VAL A 26 9.196 7.236 -0.096 1.00 0.00 C ATOM 378 O VAL A 26 8.222 6.973 -0.773 1.00 0.00 O ATOM 379 CB VAL A 26 8.043 7.486 2.105 1.00 0.00 C ATOM 380 CG1 VAL A 26 8.253 7.414 3.618 1.00 0.00 C ATOM 381 CG2 VAL A 26 7.889 8.949 1.681 1.00 0.00 C ATOM 0 H VAL A 26 10.367 8.089 2.746 1.00 0.00 H new ATOM 0 HA VAL A 26 9.233 5.791 1.503 1.00 0.00 H new ATOM 0 HB VAL A 26 7.144 6.932 1.837 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.393 7.850 4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.364 6.373 3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 26 9.152 7.968 3.887 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.029 9.386 2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.789 9.502 1.950 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.739 9.001 0.603 1.00 0.00 H new ATOM 391 N ASP A 27 10.238 7.831 -0.610 1.00 0.00 N ATOM 392 CA ASP A 27 10.252 8.204 -2.052 1.00 0.00 C ATOM 393 C ASP A 27 10.866 7.060 -2.862 1.00 0.00 C ATOM 394 O ASP A 27 11.202 7.216 -4.020 1.00 0.00 O ATOM 395 CB ASP A 27 11.086 9.472 -2.245 1.00 0.00 C ATOM 396 CG ASP A 27 10.390 10.650 -1.561 1.00 0.00 C ATOM 397 OD1 ASP A 27 9.234 10.501 -1.200 1.00 0.00 O ATOM 398 OD2 ASP A 27 11.025 11.681 -1.410 1.00 0.00 O ATOM 0 H ASP A 27 11.082 8.075 -0.092 1.00 0.00 H new ATOM 0 HA ASP A 27 9.233 8.388 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.083 9.332 -1.826 1.00 0.00 H new ATOM 0 HB3 ASP A 27 11.213 9.678 -3.308 1.00 0.00 H new ATOM 403 N LEU A 28 11.020 5.913 -2.259 1.00 0.00 N ATOM 404 CA LEU A 28 11.618 4.759 -2.987 1.00 0.00 C ATOM 405 C LEU A 28 10.532 4.024 -3.765 1.00 0.00 C ATOM 406 O LEU A 28 9.464 3.750 -3.255 1.00 0.00 O ATOM 407 CB LEU A 28 12.258 3.799 -1.984 1.00 0.00 C ATOM 408 CG LEU A 28 12.977 2.675 -2.735 1.00 0.00 C ATOM 409 CD1 LEU A 28 14.186 3.242 -3.484 1.00 0.00 C ATOM 410 CD2 LEU A 28 13.451 1.619 -1.734 1.00 0.00 C ATOM 0 H LEU A 28 10.757 5.725 -1.292 1.00 0.00 H new ATOM 0 HA LEU A 28 12.376 5.125 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 28 12.964 4.336 -1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.495 3.381 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 28 12.290 2.223 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 28 14.694 2.438 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.852 3.995 -4.197 1.00 0.00 H new ATOM 0 HD13 LEU A 28 14.874 3.697 -2.772 1.00 0.00 H new ATOM 0 HD21 LEU A 28 13.963 0.817 -2.266 1.00 0.00 H new ATOM 0 HD22 LEU A 28 14.136 2.076 -1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 28 12.592 1.210 -1.202 1.00 0.00 H new ATOM 422 N ASP A 29 10.798 3.700 -4.999 1.00 0.00 N ATOM 423 CA ASP A 29 9.782 2.980 -5.806 1.00 0.00 C ATOM 424 C ASP A 29 9.528 1.614 -5.173 1.00 0.00 C ATOM 425 O ASP A 29 10.433 0.823 -4.994 1.00 0.00 O ATOM 426 CB ASP A 29 10.294 2.798 -7.236 1.00 0.00 C ATOM 427 CG ASP A 29 10.410 4.164 -7.915 1.00 0.00 C ATOM 428 OD1 ASP A 29 9.883 5.120 -7.371 1.00 0.00 O ATOM 429 OD2 ASP A 29 11.025 4.231 -8.966 1.00 0.00 O ATOM 0 H ASP A 29 11.674 3.903 -5.481 1.00 0.00 H new ATOM 0 HA ASP A 29 8.856 3.554 -5.832 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.264 2.302 -7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.614 2.157 -7.798 1.00 0.00 H new ATOM 434 N LEU A 30 8.306 1.334 -4.821 1.00 0.00 N ATOM 435 CA LEU A 30 8.000 0.023 -4.189 1.00 0.00 C ATOM 436 C LEU A 30 8.327 -1.105 -5.167 1.00 0.00 C ATOM 437 O LEU A 30 8.208 -2.270 -4.844 1.00 0.00 O ATOM 438 CB LEU A 30 6.516 -0.044 -3.819 1.00 0.00 C ATOM 439 CG LEU A 30 6.157 1.125 -2.901 1.00 0.00 C ATOM 440 CD1 LEU A 30 4.695 0.997 -2.469 1.00 0.00 C ATOM 441 CD2 LEU A 30 7.057 1.098 -1.664 1.00 0.00 C ATOM 0 H LEU A 30 7.507 1.956 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 30 8.602 -0.086 -3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.905 -0.011 -4.721 1.00 0.00 H new ATOM 0 HB3 LEU A 30 6.298 -0.989 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 30 6.301 2.065 -3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.435 1.829 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.053 1.014 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.554 0.057 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.801 1.931 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 30 6.913 0.159 -1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.099 1.184 -1.971 1.00 0.00 H new ATOM 453 N VAL A 31 8.728 -0.775 -6.364 1.00 0.00 N ATOM 454 CA VAL A 31 9.047 -1.842 -7.352 1.00 0.00 C ATOM 455 C VAL A 31 9.998 -2.850 -6.713 1.00 0.00 C ATOM 456 O VAL A 31 9.836 -4.045 -6.857 1.00 0.00 O ATOM 457 CB VAL A 31 9.715 -1.228 -8.584 1.00 0.00 C ATOM 458 CG1 VAL A 31 10.299 -2.342 -9.454 1.00 0.00 C ATOM 459 CG2 VAL A 31 8.681 -0.444 -9.392 1.00 0.00 C ATOM 0 H VAL A 31 8.848 0.181 -6.698 1.00 0.00 H new ATOM 0 HA VAL A 31 8.126 -2.340 -7.654 1.00 0.00 H new ATOM 0 HB VAL A 31 10.512 -0.556 -8.266 1.00 0.00 H new ATOM 0 HG11 VAL A 31 10.775 -1.906 -10.332 1.00 0.00 H new ATOM 0 HG12 VAL A 31 11.038 -2.902 -8.881 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.501 -3.013 -9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.159 -0.008 -10.269 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.883 -1.115 -9.710 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.262 0.350 -8.774 1.00 0.00 H new ATOM 469 N ASP A 32 10.978 -2.383 -5.993 1.00 0.00 N ATOM 470 CA ASP A 32 11.917 -3.334 -5.337 1.00 0.00 C ATOM 471 C ASP A 32 11.091 -4.282 -4.473 1.00 0.00 C ATOM 472 O ASP A 32 11.312 -5.477 -4.446 1.00 0.00 O ATOM 473 CB ASP A 32 12.905 -2.561 -4.459 1.00 0.00 C ATOM 474 CG ASP A 32 13.827 -1.720 -5.345 1.00 0.00 C ATOM 475 OD1 ASP A 32 13.818 -1.934 -6.546 1.00 0.00 O ATOM 476 OD2 ASP A 32 14.525 -0.877 -4.807 1.00 0.00 O ATOM 0 H ASP A 32 11.169 -1.394 -5.831 1.00 0.00 H new ATOM 0 HA ASP A 32 12.480 -3.892 -6.085 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.364 -1.918 -3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.494 -3.254 -3.858 1.00 0.00 H new ATOM 481 N ASN A 33 10.115 -3.751 -3.793 1.00 0.00 N ATOM 482 CA ASN A 33 9.230 -4.597 -2.953 1.00 0.00 C ATOM 483 C ASN A 33 8.038 -5.024 -3.807 1.00 0.00 C ATOM 484 O ASN A 33 7.039 -5.506 -3.311 1.00 0.00 O ATOM 485 CB ASN A 33 8.741 -3.796 -1.749 1.00 0.00 C ATOM 486 CG ASN A 33 9.943 -3.328 -0.928 1.00 0.00 C ATOM 487 OD1 ASN A 33 10.520 -4.093 -0.181 1.00 0.00 O ATOM 488 ND2 ASN A 33 10.350 -2.095 -1.043 1.00 0.00 N ATOM 0 H ASN A 33 9.892 -2.756 -3.785 1.00 0.00 H new ATOM 0 HA ASN A 33 9.772 -5.471 -2.592 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.158 -2.938 -2.082 1.00 0.00 H new ATOM 0 HB3 ASN A 33 8.083 -4.409 -1.133 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.154 -1.771 -0.505 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.864 -1.454 -1.671 1.00 0.00 H new ATOM 495 N GLY A 34 8.139 -4.828 -5.094 1.00 0.00 N ATOM 496 CA GLY A 34 7.021 -5.195 -6.005 1.00 0.00 C ATOM 497 C GLY A 34 6.443 -6.546 -5.594 1.00 0.00 C ATOM 498 O GLY A 34 5.342 -6.895 -5.963 1.00 0.00 O ATOM 0 H GLY A 34 8.955 -4.426 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.245 -4.431 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.378 -5.239 -7.034 1.00 0.00 H new ATOM 502 N VAL A 35 7.163 -7.310 -4.825 1.00 0.00 N ATOM 503 CA VAL A 35 6.622 -8.628 -4.400 1.00 0.00 C ATOM 504 C VAL A 35 5.227 -8.410 -3.817 1.00 0.00 C ATOM 505 O VAL A 35 4.347 -9.238 -3.949 1.00 0.00 O ATOM 506 CB VAL A 35 7.532 -9.238 -3.337 1.00 0.00 C ATOM 507 CG1 VAL A 35 7.263 -8.556 -2.001 1.00 0.00 C ATOM 508 CG2 VAL A 35 7.242 -10.735 -3.214 1.00 0.00 C ATOM 0 H VAL A 35 8.094 -7.082 -4.475 1.00 0.00 H new ATOM 0 HA VAL A 35 6.572 -9.305 -5.252 1.00 0.00 H new ATOM 0 HB VAL A 35 8.575 -9.096 -3.620 1.00 0.00 H new ATOM 0 HG11 VAL A 35 7.909 -8.986 -1.236 1.00 0.00 H new ATOM 0 HG12 VAL A 35 7.467 -7.489 -2.090 1.00 0.00 H new ATOM 0 HG13 VAL A 35 6.220 -8.704 -1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 35 7.892 -11.170 -2.455 1.00 0.00 H new ATOM 0 HG22 VAL A 35 6.201 -10.882 -2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 35 7.427 -11.221 -4.172 1.00 0.00 H new ATOM 518 N ILE A 36 5.023 -7.293 -3.177 1.00 0.00 N ATOM 519 CA ILE A 36 3.691 -6.996 -2.582 1.00 0.00 C ATOM 520 C ILE A 36 2.677 -6.697 -3.686 1.00 0.00 C ATOM 521 O ILE A 36 1.487 -6.809 -3.493 1.00 0.00 O ATOM 522 CB ILE A 36 3.801 -5.755 -1.697 1.00 0.00 C ATOM 523 CG1 ILE A 36 2.676 -5.764 -0.664 1.00 0.00 C ATOM 524 CG2 ILE A 36 3.670 -4.504 -2.568 1.00 0.00 C ATOM 525 CD1 ILE A 36 2.744 -4.491 0.182 1.00 0.00 C ATOM 0 H ILE A 36 5.727 -6.568 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 36 3.367 -7.860 -2.002 1.00 0.00 H new ATOM 0 HB ILE A 36 4.765 -5.755 -1.188 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.710 -5.829 -1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 36 2.763 -6.642 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.748 -3.615 -1.942 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.466 -4.494 -3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.703 -4.510 -3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.940 -4.500 0.918 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.705 -4.446 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.635 -3.619 -0.463 1.00 0.00 H new ATOM 537 N ASP A 37 3.147 -6.271 -4.822 1.00 0.00 N ATOM 538 CA ASP A 37 2.226 -5.901 -5.936 1.00 0.00 C ATOM 539 C ASP A 37 1.238 -7.024 -6.259 1.00 0.00 C ATOM 540 O ASP A 37 0.105 -6.760 -6.606 1.00 0.00 O ATOM 541 CB ASP A 37 3.044 -5.581 -7.189 1.00 0.00 C ATOM 542 CG ASP A 37 3.904 -4.341 -6.936 1.00 0.00 C ATOM 543 OD1 ASP A 37 3.642 -3.652 -5.965 1.00 0.00 O ATOM 544 OD2 ASP A 37 4.809 -4.103 -7.718 1.00 0.00 O ATOM 0 H ASP A 37 4.139 -6.161 -5.031 1.00 0.00 H new ATOM 0 HA ASP A 37 1.655 -5.029 -5.616 1.00 0.00 H new ATOM 0 HB2 ASP A 37 3.678 -6.429 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 37 2.379 -5.409 -8.036 1.00 0.00 H new ATOM 549 N SER A 38 1.647 -8.264 -6.188 1.00 0.00 N ATOM 550 CA SER A 38 0.701 -9.371 -6.533 1.00 0.00 C ATOM 551 C SER A 38 0.390 -10.252 -5.320 1.00 0.00 C ATOM 552 O SER A 38 -0.739 -10.336 -4.879 1.00 0.00 O ATOM 553 CB SER A 38 1.315 -10.230 -7.637 1.00 0.00 C ATOM 554 OG SER A 38 0.276 -10.957 -8.302 1.00 0.00 O ATOM 0 H SER A 38 2.583 -8.558 -5.910 1.00 0.00 H new ATOM 0 HA SER A 38 -0.234 -8.923 -6.871 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.848 -9.601 -8.350 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.044 -10.920 -7.214 1.00 0.00 H new ATOM 0 HG SER A 38 0.666 -11.508 -9.012 1.00 0.00 H new ATOM 559 N LEU A 39 1.368 -10.938 -4.797 1.00 0.00 N ATOM 560 CA LEU A 39 1.102 -11.841 -3.640 1.00 0.00 C ATOM 561 C LEU A 39 0.619 -11.035 -2.438 1.00 0.00 C ATOM 562 O LEU A 39 -0.405 -11.327 -1.853 1.00 0.00 O ATOM 563 CB LEU A 39 2.383 -12.586 -3.267 1.00 0.00 C ATOM 564 CG LEU A 39 2.785 -13.530 -4.402 1.00 0.00 C ATOM 565 CD1 LEU A 39 3.930 -12.909 -5.203 1.00 0.00 C ATOM 566 CD2 LEU A 39 3.242 -14.867 -3.813 1.00 0.00 C ATOM 0 H LEU A 39 2.336 -10.914 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 39 0.329 -12.555 -3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.185 -11.874 -3.073 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.231 -13.152 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 39 1.930 -13.693 -5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.216 -13.582 -6.011 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.606 -11.956 -5.622 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.786 -12.745 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.529 -15.541 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.097 -14.702 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.426 -15.311 -3.242 1.00 0.00 H new ATOM 578 N GLY A 40 1.343 -10.025 -2.066 1.00 0.00 N ATOM 579 CA GLY A 40 0.923 -9.201 -0.904 1.00 0.00 C ATOM 580 C GLY A 40 -0.308 -8.384 -1.280 1.00 0.00 C ATOM 581 O GLY A 40 -1.208 -8.193 -0.487 1.00 0.00 O ATOM 0 H GLY A 40 2.210 -9.732 -2.516 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.701 -9.842 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.734 -8.539 -0.602 1.00 0.00 H new ATOM 585 N LEU A 41 -0.349 -7.892 -2.486 1.00 0.00 N ATOM 586 CA LEU A 41 -1.518 -7.079 -2.915 1.00 0.00 C ATOM 587 C LEU A 41 -2.792 -7.908 -2.787 1.00 0.00 C ATOM 588 O LEU A 41 -3.794 -7.449 -2.284 1.00 0.00 O ATOM 589 CB LEU A 41 -1.335 -6.660 -4.376 1.00 0.00 C ATOM 590 CG LEU A 41 -2.501 -5.771 -4.815 1.00 0.00 C ATOM 591 CD1 LEU A 41 -2.424 -4.425 -4.093 1.00 0.00 C ATOM 592 CD2 LEU A 41 -2.422 -5.544 -6.326 1.00 0.00 C ATOM 0 H LEU A 41 0.376 -8.018 -3.192 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.594 -6.194 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.393 -6.124 -4.494 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.281 -7.543 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.443 -6.259 -4.566 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.256 -3.795 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.478 -4.586 -3.016 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.483 -3.933 -4.339 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.251 -4.911 -6.643 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.479 -5.056 -6.572 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.480 -6.503 -6.841 1.00 0.00 H new ATOM 604 N LEU A 42 -2.766 -9.126 -3.239 1.00 0.00 N ATOM 605 CA LEU A 42 -3.990 -9.965 -3.144 1.00 0.00 C ATOM 606 C LEU A 42 -4.392 -10.100 -1.677 1.00 0.00 C ATOM 607 O LEU A 42 -5.553 -10.002 -1.330 1.00 0.00 O ATOM 608 CB LEU A 42 -3.709 -11.350 -3.732 1.00 0.00 C ATOM 609 CG LEU A 42 -5.009 -12.146 -3.812 1.00 0.00 C ATOM 610 CD1 LEU A 42 -5.730 -11.798 -5.110 1.00 0.00 C ATOM 611 CD2 LEU A 42 -4.695 -13.643 -3.786 1.00 0.00 C ATOM 0 H LEU A 42 -1.957 -9.576 -3.668 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.801 -9.497 -3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.269 -11.252 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.985 -11.879 -3.113 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.644 -11.897 -2.962 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.660 -12.364 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.953 -10.731 -5.128 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.094 -12.050 -5.958 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.624 -14.211 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.062 -13.897 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.175 -13.890 -2.860 1.00 0.00 H new ATOM 623 N LYS A 43 -3.444 -10.313 -0.808 1.00 0.00 N ATOM 624 CA LYS A 43 -3.775 -10.439 0.633 1.00 0.00 C ATOM 625 C LYS A 43 -4.339 -9.111 1.141 1.00 0.00 C ATOM 626 O LYS A 43 -5.275 -9.075 1.915 1.00 0.00 O ATOM 627 CB LYS A 43 -2.510 -10.788 1.411 1.00 0.00 C ATOM 628 CG LYS A 43 -2.004 -12.165 0.975 1.00 0.00 C ATOM 629 CD LYS A 43 -0.805 -12.565 1.837 1.00 0.00 C ATOM 630 CE LYS A 43 -0.223 -13.883 1.323 1.00 0.00 C ATOM 631 NZ LYS A 43 -0.946 -15.024 1.952 1.00 0.00 N ATOM 0 H LYS A 43 -2.454 -10.405 -1.036 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.517 -11.225 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.743 -10.034 1.234 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.717 -10.787 2.481 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.799 -12.904 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.718 -12.143 -0.077 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.045 -11.784 1.807 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.111 -12.672 2.878 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.314 -13.935 0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.840 -13.939 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.551 -15.920 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -0.837 -14.977 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.956 -14.972 1.708 1.00 0.00 H new ATOM 645 N VAL A 44 -3.768 -8.016 0.714 1.00 0.00 N ATOM 646 CA VAL A 44 -4.262 -6.686 1.174 1.00 0.00 C ATOM 647 C VAL A 44 -5.647 -6.403 0.592 1.00 0.00 C ATOM 648 O VAL A 44 -6.552 -6.003 1.294 1.00 0.00 O ATOM 649 CB VAL A 44 -3.289 -5.600 0.719 1.00 0.00 C ATOM 650 CG1 VAL A 44 -3.871 -4.225 1.048 1.00 0.00 C ATOM 651 CG2 VAL A 44 -1.955 -5.778 1.446 1.00 0.00 C ATOM 0 H VAL A 44 -2.981 -7.986 0.066 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.331 -6.691 2.262 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.131 -5.678 -0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.177 -3.449 0.724 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.823 -4.100 0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.028 -4.144 2.124 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.259 -5.004 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.113 -5.698 2.521 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.541 -6.759 1.212 1.00 0.00 H new ATOM 661 N ILE A 45 -5.821 -6.600 -0.683 1.00 0.00 N ATOM 662 CA ILE A 45 -7.146 -6.334 -1.298 1.00 0.00 C ATOM 663 C ILE A 45 -8.194 -7.287 -0.725 1.00 0.00 C ATOM 664 O ILE A 45 -9.313 -6.901 -0.469 1.00 0.00 O ATOM 665 CB ILE A 45 -7.052 -6.526 -2.814 1.00 0.00 C ATOM 666 CG1 ILE A 45 -6.044 -5.535 -3.415 1.00 0.00 C ATOM 667 CG2 ILE A 45 -8.424 -6.297 -3.436 1.00 0.00 C ATOM 668 CD1 ILE A 45 -6.400 -4.104 -3.009 1.00 0.00 C ATOM 0 H ILE A 45 -5.102 -6.934 -1.325 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.442 -5.309 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.715 -7.541 -3.024 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -5.038 -5.777 -3.074 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.042 -5.622 -4.502 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.361 -6.433 -4.516 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -9.135 -7.011 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.758 -5.283 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.677 -3.412 -3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.398 -3.860 -3.373 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.379 -4.018 -1.923 1.00 0.00 H new ATOM 680 N ALA A 46 -7.854 -8.530 -0.526 1.00 0.00 N ATOM 681 CA ALA A 46 -8.861 -9.482 0.021 1.00 0.00 C ATOM 682 C ALA A 46 -9.295 -9.029 1.416 1.00 0.00 C ATOM 683 O ALA A 46 -10.468 -8.993 1.730 1.00 0.00 O ATOM 684 CB ALA A 46 -8.242 -10.877 0.109 1.00 0.00 C ATOM 0 H ALA A 46 -6.933 -8.925 -0.716 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.730 -9.507 -0.636 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -8.976 -11.576 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.935 -11.202 -0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.373 -10.849 0.766 1.00 0.00 H new ATOM 690 N TRP A 47 -8.364 -8.668 2.253 1.00 0.00 N ATOM 691 CA TRP A 47 -8.738 -8.201 3.616 1.00 0.00 C ATOM 692 C TRP A 47 -9.199 -6.745 3.544 1.00 0.00 C ATOM 693 O TRP A 47 -10.223 -6.375 4.082 1.00 0.00 O ATOM 694 CB TRP A 47 -7.536 -8.316 4.552 1.00 0.00 C ATOM 695 CG TRP A 47 -7.502 -7.135 5.466 1.00 0.00 C ATOM 696 CD1 TRP A 47 -8.525 -6.713 6.246 1.00 0.00 C ATOM 697 CD2 TRP A 47 -6.402 -6.220 5.707 1.00 0.00 C ATOM 698 NE1 TRP A 47 -8.119 -5.588 6.943 1.00 0.00 N ATOM 699 CE2 TRP A 47 -6.814 -5.249 6.646 1.00 0.00 C ATOM 700 CE3 TRP A 47 -5.098 -6.146 5.200 1.00 0.00 C ATOM 701 CZ2 TRP A 47 -5.956 -4.233 7.069 1.00 0.00 C ATOM 702 CZ3 TRP A 47 -4.228 -5.127 5.621 1.00 0.00 C ATOM 703 CH2 TRP A 47 -4.657 -4.172 6.555 1.00 0.00 C ATOM 0 H TRP A 47 -7.364 -8.676 2.053 1.00 0.00 H new ATOM 0 HA TRP A 47 -9.548 -8.820 4.001 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -7.600 -9.237 5.132 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -6.614 -8.368 3.973 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -9.498 -7.178 6.313 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.711 -5.073 7.595 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -4.760 -6.877 4.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -6.292 -3.500 7.787 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -3.225 -5.078 5.224 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.985 -3.390 6.877 1.00 0.00 H new ATOM 714 N LEU A 48 -8.428 -5.915 2.898 1.00 0.00 N ATOM 715 CA LEU A 48 -8.784 -4.473 2.798 1.00 0.00 C ATOM 716 C LEU A 48 -10.146 -4.298 2.122 1.00 0.00 C ATOM 717 O LEU A 48 -10.943 -3.476 2.530 1.00 0.00 O ATOM 718 CB LEU A 48 -7.715 -3.754 1.973 1.00 0.00 C ATOM 719 CG LEU A 48 -7.953 -2.248 2.022 1.00 0.00 C ATOM 720 CD1 LEU A 48 -7.575 -1.714 3.401 1.00 0.00 C ATOM 721 CD2 LEU A 48 -7.092 -1.567 0.957 1.00 0.00 C ATOM 0 H LEU A 48 -7.560 -6.177 2.431 1.00 0.00 H new ATOM 0 HA LEU A 48 -8.837 -4.051 3.802 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.724 -3.988 2.362 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.743 -4.103 0.941 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.006 -2.039 1.831 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -7.746 -0.638 3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.186 -2.202 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.522 -1.920 3.595 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.259 -0.490 0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.040 -1.777 1.151 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.363 -1.948 -0.028 1.00 0.00 H new ATOM 733 N GLU A 49 -10.427 -5.048 1.091 1.00 0.00 N ATOM 734 CA GLU A 49 -11.739 -4.891 0.410 1.00 0.00 C ATOM 735 C GLU A 49 -12.858 -5.353 1.344 1.00 0.00 C ATOM 736 O GLU A 49 -13.918 -4.762 1.397 1.00 0.00 O ATOM 737 CB GLU A 49 -11.755 -5.719 -0.876 1.00 0.00 C ATOM 738 CG GLU A 49 -11.847 -7.203 -0.535 1.00 0.00 C ATOM 739 CD GLU A 49 -13.317 -7.619 -0.442 1.00 0.00 C ATOM 740 OE1 GLU A 49 -14.161 -6.739 -0.397 1.00 0.00 O ATOM 741 OE2 GLU A 49 -13.574 -8.812 -0.416 1.00 0.00 O ATOM 0 H GLU A 49 -9.809 -5.756 0.695 1.00 0.00 H new ATOM 0 HA GLU A 49 -11.894 -3.842 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -12.601 -5.426 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.852 -5.525 -1.455 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.339 -7.794 -1.297 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -11.342 -7.401 0.411 1.00 0.00 H new ATOM 748 N ASP A 50 -12.630 -6.397 2.091 1.00 0.00 N ATOM 749 CA ASP A 50 -13.677 -6.882 3.029 1.00 0.00 C ATOM 750 C ASP A 50 -13.932 -5.814 4.091 1.00 0.00 C ATOM 751 O ASP A 50 -15.050 -5.585 4.508 1.00 0.00 O ATOM 752 CB ASP A 50 -13.196 -8.165 3.703 1.00 0.00 C ATOM 753 CG ASP A 50 -14.345 -8.787 4.498 1.00 0.00 C ATOM 754 OD1 ASP A 50 -15.447 -8.270 4.413 1.00 0.00 O ATOM 755 OD2 ASP A 50 -14.104 -9.771 5.179 1.00 0.00 O ATOM 0 H ASP A 50 -11.763 -6.935 2.092 1.00 0.00 H new ATOM 0 HA ASP A 50 -14.598 -7.082 2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -12.836 -8.869 2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.358 -7.948 4.365 1.00 0.00 H new ATOM 760 N ARG A 51 -12.892 -5.165 4.535 1.00 0.00 N ATOM 761 CA ARG A 51 -13.047 -4.114 5.578 1.00 0.00 C ATOM 762 C ARG A 51 -13.976 -3.004 5.074 1.00 0.00 C ATOM 763 O ARG A 51 -14.795 -2.493 5.812 1.00 0.00 O ATOM 764 CB ARG A 51 -11.671 -3.529 5.905 1.00 0.00 C ATOM 765 CG ARG A 51 -11.783 -2.585 7.103 1.00 0.00 C ATOM 766 CD ARG A 51 -10.389 -2.102 7.506 1.00 0.00 C ATOM 767 NE ARG A 51 -9.845 -1.207 6.445 1.00 0.00 N ATOM 768 CZ ARG A 51 -8.692 -0.620 6.615 1.00 0.00 C ATOM 769 NH1 ARG A 51 -8.014 -0.820 7.712 1.00 0.00 N ATOM 770 NH2 ARG A 51 -8.217 0.166 5.688 1.00 0.00 N ATOM 0 H ARG A 51 -11.935 -5.319 4.218 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.483 -4.554 6.475 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -10.967 -4.331 6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -11.279 -2.991 5.042 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -12.415 -1.734 6.850 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.258 -3.097 7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -10.438 -1.569 8.456 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.726 -2.954 7.652 1.00 0.00 H new ATOM 0 HE ARG A 51 -10.374 -1.054 5.586 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.385 -1.435 8.436 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.113 -0.361 7.845 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.747 0.322 4.830 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.316 0.625 5.821 1.00 0.00 H new ATOM 784 N PHE A 52 -13.855 -2.622 3.827 1.00 0.00 N ATOM 785 CA PHE A 52 -14.729 -1.543 3.287 1.00 0.00 C ATOM 786 C PHE A 52 -15.762 -2.128 2.322 1.00 0.00 C ATOM 787 O PHE A 52 -16.597 -1.423 1.792 1.00 0.00 O ATOM 788 CB PHE A 52 -13.861 -0.509 2.567 1.00 0.00 C ATOM 789 CG PHE A 52 -13.263 0.424 3.592 1.00 0.00 C ATOM 790 CD1 PHE A 52 -13.992 1.537 4.029 1.00 0.00 C ATOM 791 CD2 PHE A 52 -11.989 0.172 4.115 1.00 0.00 C ATOM 792 CE1 PHE A 52 -13.448 2.398 4.988 1.00 0.00 C ATOM 793 CE2 PHE A 52 -11.444 1.035 5.073 1.00 0.00 C ATOM 794 CZ PHE A 52 -12.174 2.148 5.510 1.00 0.00 C ATOM 0 H PHE A 52 -13.188 -3.013 3.162 1.00 0.00 H new ATOM 0 HA PHE A 52 -15.261 -1.064 4.109 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -13.072 -1.006 2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -14.460 0.052 1.850 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -14.975 1.731 3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.427 -0.687 3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -14.011 3.256 5.325 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -10.460 0.843 5.475 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.753 2.813 6.250 1.00 0.00 H new ATOM 804 N GLY A 53 -15.723 -3.412 2.095 1.00 0.00 N ATOM 805 CA GLY A 53 -16.716 -4.032 1.173 1.00 0.00 C ATOM 806 C GLY A 53 -16.444 -3.577 -0.262 1.00 0.00 C ATOM 807 O GLY A 53 -17.356 -3.311 -1.020 1.00 0.00 O ATOM 0 H GLY A 53 -15.049 -4.057 2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.657 -5.118 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -17.726 -3.750 1.469 1.00 0.00 H new ATOM 811 N ILE A 54 -15.201 -3.480 -0.643 1.00 0.00 N ATOM 812 CA ILE A 54 -14.883 -3.038 -2.031 1.00 0.00 C ATOM 813 C ILE A 54 -14.933 -4.247 -2.970 1.00 0.00 C ATOM 814 O ILE A 54 -14.580 -5.347 -2.598 1.00 0.00 O ATOM 815 CB ILE A 54 -13.483 -2.424 -2.062 1.00 0.00 C ATOM 816 CG1 ILE A 54 -13.402 -1.295 -1.031 1.00 0.00 C ATOM 817 CG2 ILE A 54 -13.207 -1.856 -3.454 1.00 0.00 C ATOM 818 CD1 ILE A 54 -11.957 -0.806 -0.924 1.00 0.00 C ATOM 0 H ILE A 54 -14.393 -3.687 -0.056 1.00 0.00 H new ATOM 0 HA ILE A 54 -15.611 -2.294 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 54 -12.744 -3.190 -1.827 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.055 -0.473 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.751 -1.648 -0.061 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -12.209 -1.418 -3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.269 -2.656 -4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.945 -1.089 -3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -11.898 -0.002 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -11.316 -1.630 -0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -11.625 -0.436 -1.894 1.00 0.00 H new ATOM 830 N ALA A 55 -15.379 -4.057 -4.182 1.00 0.00 N ATOM 831 CA ALA A 55 -15.456 -5.204 -5.130 1.00 0.00 C ATOM 832 C ALA A 55 -14.064 -5.507 -5.691 1.00 0.00 C ATOM 833 O ALA A 55 -13.421 -4.660 -6.280 1.00 0.00 O ATOM 834 CB ALA A 55 -16.402 -4.851 -6.280 1.00 0.00 C ATOM 0 H ALA A 55 -15.692 -3.161 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.831 -6.082 -4.603 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.459 -5.689 -6.974 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -17.395 -4.640 -5.883 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.026 -3.972 -6.803 1.00 0.00 H new ATOM 840 N ALA A 56 -13.598 -6.714 -5.515 1.00 0.00 N ATOM 841 CA ALA A 56 -12.252 -7.084 -6.039 1.00 0.00 C ATOM 842 C ALA A 56 -12.313 -7.213 -7.563 1.00 0.00 C ATOM 843 O ALA A 56 -11.305 -7.169 -8.240 1.00 0.00 O ATOM 844 CB ALA A 56 -11.817 -8.419 -5.431 1.00 0.00 C ATOM 0 H ALA A 56 -14.093 -7.462 -5.029 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.533 -6.310 -5.769 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.833 -8.690 -5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.771 -8.327 -4.346 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -12.536 -9.193 -5.700 1.00 0.00 H new ATOM 850 N ASP A 57 -13.487 -7.381 -8.105 1.00 0.00 N ATOM 851 CA ASP A 57 -13.618 -7.525 -9.582 1.00 0.00 C ATOM 852 C ASP A 57 -12.886 -6.378 -10.281 1.00 0.00 C ATOM 853 O ASP A 57 -12.303 -6.553 -11.333 1.00 0.00 O ATOM 854 CB ASP A 57 -15.096 -7.494 -9.967 1.00 0.00 C ATOM 855 CG ASP A 57 -15.786 -8.757 -9.450 1.00 0.00 C ATOM 856 OD1 ASP A 57 -15.084 -9.661 -9.028 1.00 0.00 O ATOM 857 OD2 ASP A 57 -17.005 -8.799 -9.484 1.00 0.00 O ATOM 0 H ASP A 57 -14.364 -7.425 -7.587 1.00 0.00 H new ATOM 0 HA ASP A 57 -13.179 -8.474 -9.891 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.573 -6.609 -9.547 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.199 -7.428 -11.050 1.00 0.00 H new ATOM 862 N ASP A 58 -12.910 -5.205 -9.711 1.00 0.00 N ATOM 863 CA ASP A 58 -12.212 -4.058 -10.354 1.00 0.00 C ATOM 864 C ASP A 58 -10.717 -4.364 -10.453 1.00 0.00 C ATOM 865 O ASP A 58 -10.109 -4.854 -9.522 1.00 0.00 O ATOM 866 CB ASP A 58 -12.421 -2.799 -9.514 1.00 0.00 C ATOM 867 CG ASP A 58 -13.898 -2.403 -9.543 1.00 0.00 C ATOM 868 OD1 ASP A 58 -14.620 -2.942 -10.365 1.00 0.00 O ATOM 869 OD2 ASP A 58 -14.283 -1.568 -8.741 1.00 0.00 O ATOM 0 H ASP A 58 -13.381 -4.992 -8.832 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.617 -3.898 -11.353 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.102 -2.977 -8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.808 -1.985 -9.901 1.00 0.00 H new ATOM 874 N VAL A 59 -10.121 -4.082 -11.579 1.00 0.00 N ATOM 875 CA VAL A 59 -8.666 -4.358 -11.745 1.00 0.00 C ATOM 876 C VAL A 59 -8.043 -3.260 -12.612 1.00 0.00 C ATOM 877 O VAL A 59 -7.094 -3.485 -13.337 1.00 0.00 O ATOM 878 CB VAL A 59 -8.486 -5.722 -12.416 1.00 0.00 C ATOM 879 CG1 VAL A 59 -9.292 -5.762 -13.714 1.00 0.00 C ATOM 880 CG2 VAL A 59 -7.005 -5.951 -12.726 1.00 0.00 C ATOM 0 H VAL A 59 -10.580 -3.672 -12.392 1.00 0.00 H new ATOM 0 HA VAL A 59 -8.174 -4.370 -10.773 1.00 0.00 H new ATOM 0 HB VAL A 59 -8.839 -6.505 -11.745 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.164 -6.733 -14.192 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -10.347 -5.603 -13.492 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.940 -4.978 -14.385 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.879 -6.923 -13.204 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.648 -5.169 -13.396 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.431 -5.925 -11.800 1.00 0.00 H new ATOM 890 N GLU A 60 -8.574 -2.072 -12.539 1.00 0.00 N ATOM 891 CA GLU A 60 -8.025 -0.950 -13.353 1.00 0.00 C ATOM 892 C GLU A 60 -6.582 -0.665 -12.930 1.00 0.00 C ATOM 893 O GLU A 60 -5.807 -0.103 -13.678 1.00 0.00 O ATOM 894 CB GLU A 60 -8.877 0.302 -13.136 1.00 0.00 C ATOM 895 CG GLU A 60 -10.287 0.056 -13.659 1.00 0.00 C ATOM 896 CD GLU A 60 -11.119 1.331 -13.511 1.00 0.00 C ATOM 897 OE1 GLU A 60 -10.640 2.257 -12.877 1.00 0.00 O ATOM 898 OE2 GLU A 60 -12.221 1.361 -14.033 1.00 0.00 O ATOM 0 H GLU A 60 -9.369 -1.828 -11.948 1.00 0.00 H new ATOM 0 HA GLU A 60 -8.044 -1.226 -14.407 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.910 0.553 -12.076 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.430 1.152 -13.651 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -10.250 -0.247 -14.705 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -10.753 -0.760 -13.107 1.00 0.00 H new ATOM 905 N LEU A 61 -6.217 -1.037 -11.734 1.00 0.00 N ATOM 906 CA LEU A 61 -4.828 -0.773 -11.266 1.00 0.00 C ATOM 907 C LEU A 61 -3.842 -1.644 -12.048 1.00 0.00 C ATOM 908 O LEU A 61 -4.107 -2.792 -12.344 1.00 0.00 O ATOM 909 CB LEU A 61 -4.719 -1.096 -9.773 1.00 0.00 C ATOM 910 CG LEU A 61 -5.545 -0.093 -8.964 1.00 0.00 C ATOM 911 CD1 LEU A 61 -7.041 -0.378 -9.135 1.00 0.00 C ATOM 912 CD2 LEU A 61 -5.174 -0.208 -7.484 1.00 0.00 C ATOM 0 H LEU A 61 -6.820 -1.512 -11.062 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.590 0.278 -11.430 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.073 -2.109 -9.584 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.676 -1.059 -9.459 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.332 0.914 -9.323 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.617 0.342 -8.554 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.309 -0.293 -10.188 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.262 -1.386 -8.784 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.761 0.505 -6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.383 -1.219 -7.134 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.113 0.007 -7.357 1.00 0.00 H new ATOM 924 N SER A 62 -2.706 -1.095 -12.386 1.00 0.00 N ATOM 925 CA SER A 62 -1.687 -1.861 -13.151 1.00 0.00 C ATOM 926 C SER A 62 -0.364 -1.847 -12.380 1.00 0.00 C ATOM 927 O SER A 62 -0.185 -1.067 -11.468 1.00 0.00 O ATOM 928 CB SER A 62 -1.494 -1.193 -14.512 1.00 0.00 C ATOM 929 OG SER A 62 -2.177 0.054 -14.522 1.00 0.00 O ATOM 0 H SER A 62 -2.440 -0.136 -12.160 1.00 0.00 H new ATOM 0 HA SER A 62 -2.014 -2.892 -13.288 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.433 -1.041 -14.709 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.876 -1.837 -15.304 1.00 0.00 H new ATOM 0 HG SER A 62 -2.055 0.487 -15.393 1.00 0.00 H new ATOM 935 N PRO A 63 0.561 -2.697 -12.742 1.00 0.00 N ATOM 936 CA PRO A 63 1.886 -2.763 -12.063 1.00 0.00 C ATOM 937 C PRO A 63 2.553 -1.387 -12.004 1.00 0.00 C ATOM 938 O PRO A 63 3.279 -1.075 -11.081 1.00 0.00 O ATOM 939 CB PRO A 63 2.715 -3.728 -12.924 1.00 0.00 C ATOM 940 CG PRO A 63 1.907 -4.009 -14.153 1.00 0.00 C ATOM 941 CD PRO A 63 0.453 -3.680 -13.824 1.00 0.00 C ATOM 0 HA PRO A 63 1.795 -3.096 -11.029 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.676 -3.285 -13.185 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.925 -4.649 -12.380 1.00 0.00 H new ATOM 0 HG2 PRO A 63 2.258 -3.405 -14.990 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.007 -5.053 -14.449 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.071 -3.270 -14.688 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.097 -4.566 -13.508 1.00 0.00 H new ATOM 949 N GLU A 64 2.298 -0.560 -12.979 1.00 0.00 N ATOM 950 CA GLU A 64 2.897 0.803 -12.983 1.00 0.00 C ATOM 951 C GLU A 64 2.306 1.618 -11.830 1.00 0.00 C ATOM 952 O GLU A 64 2.918 2.541 -11.330 1.00 0.00 O ATOM 953 CB GLU A 64 2.585 1.494 -14.310 1.00 0.00 C ATOM 954 CG GLU A 64 3.264 0.742 -15.449 1.00 0.00 C ATOM 955 CD GLU A 64 3.010 1.474 -16.769 1.00 0.00 C ATOM 956 OE1 GLU A 64 2.209 2.394 -16.769 1.00 0.00 O ATOM 957 OE2 GLU A 64 3.620 1.101 -17.757 1.00 0.00 O ATOM 0 H GLU A 64 1.698 -0.771 -13.776 1.00 0.00 H new ATOM 0 HA GLU A 64 3.978 0.728 -12.861 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.507 1.524 -14.472 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.932 2.527 -14.284 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.335 0.668 -15.262 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.880 -0.276 -15.506 1.00 0.00 H new ATOM 964 N HIS A 65 1.115 1.285 -11.410 1.00 0.00 N ATOM 965 CA HIS A 65 0.473 2.040 -10.294 1.00 0.00 C ATOM 966 C HIS A 65 1.237 1.786 -8.994 1.00 0.00 C ATOM 967 O HIS A 65 1.232 2.598 -8.090 1.00 0.00 O ATOM 968 CB HIS A 65 -0.976 1.574 -10.137 1.00 0.00 C ATOM 969 CG HIS A 65 -1.584 2.212 -8.921 1.00 0.00 C ATOM 970 ND1 HIS A 65 -1.860 1.488 -7.769 1.00 0.00 N ATOM 971 CD2 HIS A 65 -1.974 3.502 -8.657 1.00 0.00 C ATOM 972 CE1 HIS A 65 -2.392 2.339 -6.873 1.00 0.00 C ATOM 973 NE2 HIS A 65 -2.482 3.575 -7.365 1.00 0.00 N ATOM 0 H HIS A 65 0.557 0.521 -11.792 1.00 0.00 H new ATOM 0 HA HIS A 65 0.492 3.107 -10.518 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -1.551 1.838 -11.024 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -1.011 0.488 -10.046 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -1.690 0.492 -7.628 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -1.898 4.330 -9.346 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.707 2.056 -5.879 1.00 0.00 H new ATOM 982 N PHE A 66 1.893 0.666 -8.894 1.00 0.00 N ATOM 983 CA PHE A 66 2.657 0.354 -7.655 1.00 0.00 C ATOM 984 C PHE A 66 4.098 0.847 -7.811 1.00 0.00 C ATOM 985 O PHE A 66 4.966 0.528 -7.024 1.00 0.00 O ATOM 986 CB PHE A 66 2.644 -1.159 -7.429 1.00 0.00 C ATOM 987 CG PHE A 66 1.219 -1.612 -7.223 1.00 0.00 C ATOM 988 CD1 PHE A 66 0.659 -1.606 -5.940 1.00 0.00 C ATOM 989 CD2 PHE A 66 0.456 -2.032 -8.318 1.00 0.00 C ATOM 990 CE1 PHE A 66 -0.665 -2.021 -5.753 1.00 0.00 C ATOM 991 CE2 PHE A 66 -0.868 -2.446 -8.132 1.00 0.00 C ATOM 992 CZ PHE A 66 -1.428 -2.441 -6.850 1.00 0.00 C ATOM 0 H PHE A 66 1.934 -0.050 -9.619 1.00 0.00 H new ATOM 0 HA PHE A 66 2.201 0.852 -6.799 1.00 0.00 H new ATOM 0 HB2 PHE A 66 3.082 -1.672 -8.285 1.00 0.00 H new ATOM 0 HB3 PHE A 66 3.250 -1.415 -6.560 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.248 -1.281 -5.095 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.889 -2.037 -9.307 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.098 -2.017 -4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.457 -2.769 -8.978 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.449 -2.761 -6.706 1.00 0.00 H new ATOM 1002 N ARG A 67 4.353 1.623 -8.829 1.00 0.00 N ATOM 1003 CA ARG A 67 5.732 2.143 -9.055 1.00 0.00 C ATOM 1004 C ARG A 67 6.227 2.874 -7.802 1.00 0.00 C ATOM 1005 O ARG A 67 7.382 2.777 -7.437 1.00 0.00 O ATOM 1006 CB ARG A 67 5.708 3.117 -10.243 1.00 0.00 C ATOM 1007 CG ARG A 67 7.121 3.621 -10.565 1.00 0.00 C ATOM 1008 CD ARG A 67 7.882 2.573 -11.383 1.00 0.00 C ATOM 1009 NE ARG A 67 9.239 3.092 -11.711 1.00 0.00 N ATOM 1010 CZ ARG A 67 9.410 3.862 -12.751 1.00 0.00 C ATOM 1011 NH1 ARG A 67 8.392 4.178 -13.503 1.00 0.00 N ATOM 1012 NH2 ARG A 67 10.600 4.315 -13.038 1.00 0.00 N ATOM 0 H ARG A 67 3.662 1.921 -9.518 1.00 0.00 H new ATOM 0 HA ARG A 67 6.405 1.313 -9.268 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.286 2.621 -11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.060 3.962 -10.013 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.063 4.556 -11.122 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.659 3.833 -9.641 1.00 0.00 H new ATOM 0 HD2 ARG A 67 7.962 1.644 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.337 2.344 -12.299 1.00 0.00 H new ATOM 0 HE ARG A 67 10.035 2.846 -11.123 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.462 3.823 -13.278 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.526 4.780 -14.316 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.396 4.067 -12.450 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.734 4.917 -13.851 1.00 0.00 H new ATOM 1026 N SER A 68 5.374 3.612 -7.145 1.00 0.00 N ATOM 1027 CA SER A 68 5.823 4.348 -5.926 1.00 0.00 C ATOM 1028 C SER A 68 4.665 4.495 -4.935 1.00 0.00 C ATOM 1029 O SER A 68 3.507 4.396 -5.291 1.00 0.00 O ATOM 1030 CB SER A 68 6.324 5.735 -6.329 1.00 0.00 C ATOM 1031 OG SER A 68 5.223 6.526 -6.756 1.00 0.00 O ATOM 0 H SER A 68 4.393 3.738 -7.396 1.00 0.00 H new ATOM 0 HA SER A 68 6.626 3.786 -5.449 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.825 6.212 -5.487 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.058 5.651 -7.130 1.00 0.00 H new ATOM 0 HG SER A 68 5.540 7.417 -7.014 1.00 0.00 H new ATOM 1037 N ILE A 69 4.978 4.738 -3.690 1.00 0.00 N ATOM 1038 CA ILE A 69 3.922 4.901 -2.658 1.00 0.00 C ATOM 1039 C ILE A 69 3.068 6.134 -2.968 1.00 0.00 C ATOM 1040 O ILE A 69 1.875 6.148 -2.737 1.00 0.00 O ATOM 1041 CB ILE A 69 4.592 5.081 -1.297 1.00 0.00 C ATOM 1042 CG1 ILE A 69 5.434 3.853 -0.972 1.00 0.00 C ATOM 1043 CG2 ILE A 69 3.531 5.244 -0.225 1.00 0.00 C ATOM 1044 CD1 ILE A 69 6.267 4.120 0.283 1.00 0.00 C ATOM 0 H ILE A 69 5.933 4.831 -3.344 1.00 0.00 H new ATOM 0 HA ILE A 69 3.281 4.020 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 69 5.227 5.966 -1.328 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.789 2.988 -0.816 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.088 3.615 -1.811 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.011 5.372 0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.921 6.120 -0.447 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.898 4.357 -0.202 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.869 3.241 0.514 1.00 0.00 H new ATOM 0 HD12 ILE A 69 6.923 4.973 0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.604 4.336 1.121 1.00 0.00 H new ATOM 1056 N ARG A 70 3.672 7.176 -3.471 1.00 0.00 N ATOM 1057 CA ARG A 70 2.897 8.414 -3.773 1.00 0.00 C ATOM 1058 C ARG A 70 1.801 8.115 -4.799 1.00 0.00 C ATOM 1059 O ARG A 70 0.690 8.593 -4.685 1.00 0.00 O ATOM 1060 CB ARG A 70 3.841 9.476 -4.340 1.00 0.00 C ATOM 1061 CG ARG A 70 3.076 10.785 -4.540 1.00 0.00 C ATOM 1062 CD ARG A 70 4.017 11.842 -5.119 1.00 0.00 C ATOM 1063 NE ARG A 70 4.367 11.479 -6.521 1.00 0.00 N ATOM 1064 CZ ARG A 70 5.137 12.262 -7.226 1.00 0.00 C ATOM 1065 NH1 ARG A 70 5.603 13.362 -6.703 1.00 0.00 N ATOM 1066 NH2 ARG A 70 5.441 11.944 -8.455 1.00 0.00 N ATOM 0 H ARG A 70 4.668 7.224 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 70 2.436 8.777 -2.854 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.679 9.632 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.258 9.138 -5.289 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.232 10.627 -5.212 1.00 0.00 H new ATOM 0 HG3 ARG A 70 2.667 11.128 -3.590 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.540 12.822 -5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.921 11.911 -4.513 1.00 0.00 H new ATOM 0 HE ARG A 70 4.004 10.618 -6.930 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.366 13.611 -5.743 1.00 0.00 H new ATOM 0 HH12 ARG A 70 6.205 13.974 -7.254 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.077 11.084 -8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.043 12.556 -9.006 1.00 0.00 H new ATOM 1080 N SER A 71 2.098 7.335 -5.801 1.00 0.00 N ATOM 1081 CA SER A 71 1.065 7.022 -6.824 1.00 0.00 C ATOM 1082 C SER A 71 -0.085 6.252 -6.172 1.00 0.00 C ATOM 1083 O SER A 71 -1.240 6.450 -6.495 1.00 0.00 O ATOM 1084 CB SER A 71 1.692 6.169 -7.924 1.00 0.00 C ATOM 1085 OG SER A 71 2.008 4.886 -7.401 1.00 0.00 O ATOM 0 H SER A 71 3.009 6.903 -5.954 1.00 0.00 H new ATOM 0 HA SER A 71 0.681 7.948 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.003 6.073 -8.763 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.592 6.651 -8.305 1.00 0.00 H new ATOM 0 HG SER A 71 1.401 4.218 -7.783 1.00 0.00 H new ATOM 1091 N ILE A 72 0.221 5.375 -5.256 1.00 0.00 N ATOM 1092 CA ILE A 72 -0.846 4.594 -4.583 1.00 0.00 C ATOM 1093 C ILE A 72 -1.689 5.520 -3.704 1.00 0.00 C ATOM 1094 O ILE A 72 -2.893 5.385 -3.616 1.00 0.00 O ATOM 1095 CB ILE A 72 -0.198 3.517 -3.717 1.00 0.00 C ATOM 1096 CG1 ILE A 72 0.659 2.603 -4.596 1.00 0.00 C ATOM 1097 CG2 ILE A 72 -1.286 2.694 -3.038 1.00 0.00 C ATOM 1098 CD1 ILE A 72 1.417 1.609 -3.715 1.00 0.00 C ATOM 0 H ILE A 72 1.170 5.167 -4.946 1.00 0.00 H new ATOM 0 HA ILE A 72 -1.490 4.131 -5.331 1.00 0.00 H new ATOM 0 HB ILE A 72 0.431 3.986 -2.960 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.028 2.068 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.362 3.197 -5.179 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.826 1.924 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.898 3.345 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.913 2.224 -3.796 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.027 0.959 -4.342 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.060 2.153 -3.023 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.705 1.006 -3.151 1.00 0.00 H new ATOM 1110 N ASP A 73 -1.060 6.452 -3.044 1.00 0.00 N ATOM 1111 CA ASP A 73 -1.815 7.381 -2.159 1.00 0.00 C ATOM 1112 C ASP A 73 -2.856 8.158 -2.969 1.00 0.00 C ATOM 1113 O ASP A 73 -3.973 8.353 -2.533 1.00 0.00 O ATOM 1114 CB ASP A 73 -0.837 8.368 -1.521 1.00 0.00 C ATOM 1115 CG ASP A 73 -1.561 9.190 -0.456 1.00 0.00 C ATOM 1116 OD1 ASP A 73 -2.715 8.897 -0.192 1.00 0.00 O ATOM 1117 OD2 ASP A 73 -0.948 10.097 0.082 1.00 0.00 O ATOM 0 H ASP A 73 -0.053 6.610 -3.080 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.325 6.803 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.001 7.830 -1.074 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -0.421 9.027 -2.283 1.00 0.00 H new ATOM 1122 N ALA A 74 -2.499 8.616 -4.136 1.00 0.00 N ATOM 1123 CA ALA A 74 -3.471 9.393 -4.957 1.00 0.00 C ATOM 1124 C ALA A 74 -4.626 8.497 -5.405 1.00 0.00 C ATOM 1125 O ALA A 74 -5.776 8.884 -5.354 1.00 0.00 O ATOM 1126 CB ALA A 74 -2.761 9.964 -6.185 1.00 0.00 C ATOM 0 H ALA A 74 -1.579 8.487 -4.557 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.871 10.207 -4.352 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.472 10.532 -6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.951 10.620 -5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.353 9.148 -6.782 1.00 0.00 H new ATOM 1132 N PHE A 75 -4.335 7.309 -5.850 1.00 0.00 N ATOM 1133 CA PHE A 75 -5.427 6.406 -6.305 1.00 0.00 C ATOM 1134 C PHE A 75 -6.369 6.108 -5.138 1.00 0.00 C ATOM 1135 O PHE A 75 -7.573 6.238 -5.250 1.00 0.00 O ATOM 1136 CB PHE A 75 -4.828 5.101 -6.825 1.00 0.00 C ATOM 1137 CG PHE A 75 -5.926 4.226 -7.380 1.00 0.00 C ATOM 1138 CD1 PHE A 75 -6.351 4.390 -8.703 1.00 0.00 C ATOM 1139 CD2 PHE A 75 -6.519 3.250 -6.570 1.00 0.00 C ATOM 1140 CE1 PHE A 75 -7.369 3.578 -9.217 1.00 0.00 C ATOM 1141 CE2 PHE A 75 -7.537 2.438 -7.084 1.00 0.00 C ATOM 1142 CZ PHE A 75 -7.962 2.602 -8.408 1.00 0.00 C ATOM 0 H PHE A 75 -3.393 6.925 -5.919 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.987 6.892 -7.104 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -4.090 5.311 -7.599 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.307 4.582 -6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -5.894 5.143 -9.328 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.191 3.124 -5.549 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.697 3.705 -10.238 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.995 1.685 -6.459 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.747 1.976 -8.805 1.00 0.00 H new ATOM 1152 N VAL A 76 -5.835 5.712 -4.016 1.00 0.00 N ATOM 1153 CA VAL A 76 -6.702 5.411 -2.853 1.00 0.00 C ATOM 1154 C VAL A 76 -7.367 6.699 -2.363 1.00 0.00 C ATOM 1155 O VAL A 76 -8.552 6.732 -2.104 1.00 0.00 O ATOM 1156 CB VAL A 76 -5.851 4.807 -1.738 1.00 0.00 C ATOM 1157 CG1 VAL A 76 -6.706 4.630 -0.488 1.00 0.00 C ATOM 1158 CG2 VAL A 76 -5.319 3.444 -2.185 1.00 0.00 C ATOM 0 H VAL A 76 -4.835 5.585 -3.858 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.476 4.701 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.015 5.471 -1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.100 4.199 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.089 5.599 -0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.541 3.965 -0.709 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.711 3.012 -1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.156 2.781 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.710 3.567 -3.081 1.00 0.00 H new ATOM 1168 N VAL A 77 -6.623 7.768 -2.245 1.00 0.00 N ATOM 1169 CA VAL A 77 -7.228 9.042 -1.779 1.00 0.00 C ATOM 1170 C VAL A 77 -8.348 9.451 -2.734 1.00 0.00 C ATOM 1171 O VAL A 77 -9.387 9.929 -2.323 1.00 0.00 O ATOM 1172 CB VAL A 77 -6.156 10.129 -1.756 1.00 0.00 C ATOM 1173 CG1 VAL A 77 -6.824 11.492 -1.615 1.00 0.00 C ATOM 1174 CG2 VAL A 77 -5.220 9.901 -0.567 1.00 0.00 C ATOM 0 H VAL A 77 -5.625 7.810 -2.452 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.636 8.910 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.583 10.093 -2.682 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.062 12.271 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.494 11.658 -2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.395 11.523 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.455 10.678 -0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.793 9.938 0.359 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.744 8.925 -0.661 1.00 0.00 H new ATOM 1184 N GLY A 78 -8.141 9.271 -4.006 1.00 0.00 N ATOM 1185 CA GLY A 78 -9.186 9.651 -4.994 1.00 0.00 C ATOM 1186 C GLY A 78 -10.489 8.906 -4.696 1.00 0.00 C ATOM 1187 O GLY A 78 -11.566 9.415 -4.937 1.00 0.00 O ATOM 0 H GLY A 78 -7.290 8.876 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.357 10.727 -4.958 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.846 9.416 -6.003 1.00 0.00 H new ATOM 1191 N ALA A 79 -10.408 7.703 -4.185 1.00 0.00 N ATOM 1192 CA ALA A 79 -11.658 6.940 -3.894 1.00 0.00 C ATOM 1193 C ALA A 79 -11.941 6.930 -2.390 1.00 0.00 C ATOM 1194 O ALA A 79 -13.026 7.254 -1.952 1.00 0.00 O ATOM 1195 CB ALA A 79 -11.497 5.501 -4.386 1.00 0.00 C ATOM 0 H ALA A 79 -9.538 7.221 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 79 -12.491 7.420 -4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -12.408 4.940 -4.175 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -11.312 5.502 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.656 5.033 -3.874 1.00 0.00 H new ATOM 1201 N THR A 80 -10.976 6.562 -1.598 1.00 0.00 N ATOM 1202 CA THR A 80 -11.193 6.533 -0.124 1.00 0.00 C ATOM 1203 C THR A 80 -9.850 6.672 0.594 1.00 0.00 C ATOM 1204 O THR A 80 -8.824 6.264 0.092 1.00 0.00 O ATOM 1205 CB THR A 80 -11.854 5.208 0.266 1.00 0.00 C ATOM 1206 OG1 THR A 80 -12.329 5.294 1.602 1.00 0.00 O ATOM 1207 CG2 THR A 80 -10.838 4.069 0.154 1.00 0.00 C ATOM 0 H THR A 80 -10.045 6.280 -1.906 1.00 0.00 H new ATOM 0 HA THR A 80 -11.841 7.360 0.166 1.00 0.00 H new ATOM 0 HB THR A 80 -12.689 5.009 -0.406 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.754 4.447 1.853 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.313 3.129 0.433 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.477 4.003 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 80 -9.999 4.263 0.822 1.00 0.00 H new ATOM 1215 N THR A 81 -9.850 7.239 1.766 1.00 0.00 N ATOM 1216 CA THR A 81 -8.576 7.403 2.518 1.00 0.00 C ATOM 1217 C THR A 81 -8.756 6.860 3.941 1.00 0.00 C ATOM 1218 O THR A 81 -9.133 7.582 4.841 1.00 0.00 O ATOM 1219 CB THR A 81 -8.219 8.889 2.564 1.00 0.00 C ATOM 1220 OG1 THR A 81 -7.186 9.099 3.518 1.00 0.00 O ATOM 1221 CG2 THR A 81 -9.455 9.699 2.955 1.00 0.00 C ATOM 0 H THR A 81 -10.680 7.597 2.238 1.00 0.00 H new ATOM 0 HA THR A 81 -7.774 6.852 2.027 1.00 0.00 H new ATOM 0 HB THR A 81 -7.873 9.211 1.582 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.172 10.042 3.783 1.00 0.00 H new ATOM 0 HG21 THR A 81 -9.200 10.758 2.988 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.243 9.538 2.220 1.00 0.00 H new ATOM 0 HG23 THR A 81 -9.804 9.379 3.937 1.00 0.00 H new