USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 863 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 162:sc= -0.129 (180deg=-0.354) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.237 K(o=-0.24,f=-1) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= -3.85! C(o=-3.8!,f=-6.7!) USER MOD Single : A 19 SER OG : rot 68:sc= 0.897 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 GLN :FLIP amide:sc= -0.015 F(o=-1.5!,f=-0.015) USER MOD Single : A 23 MET CE :methyl -146:sc= -4.67! (180deg=-7.86!) USER MOD Single : A 26 ASN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 27 GLN : amide:sc= -0.0719 K(o=-0.072,f=-0.77) USER MOD Single : A 32 THR OG1 : rot -76:sc= -3.3! USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.718 K(o=-0.72,f=-4.1!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 177:sc= -1.29! USER MOD Single : A 48 ASN : amide:sc= -3.19! C(o=-3.2!,f=-4.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -0.435 F(o=-3.5!,f=-0.43) USER MOD Single : A 56 SER OG : rot -76:sc= 0.552 USER MOD Single : A 59 THR OG1 : rot 18:sc= 0.739 USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.819 (180deg=-1.77!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.31 F(o=-1.1!,f=-0.31) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.256 USER MOD Single : A 73 THR OG1 : rot -91:sc= -0.977! USER MOD Single : A 76 SER OG : rot -150:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc=-0.00877 USER MOD Single : A 84 ASN : amide:sc= -0.132 K(o=-0.13,f=-1.9!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 53:sc= 0.799 USER MOD Single : A 96 HIS :FLIP no HE2:sc= -2.67 F(o=-5.6!,f=-2.7) USER MOD Single : A 98 ASN : amide:sc= 0.797 K(o=0.8,f=-0.94) USER MOD Single : A 99 LYS NZ :NH3+ -127:sc= 1.24 (180deg=-0.471) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.071) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.769 20.130 10.214 1.00 0.00 N ATOM 2 CA MET A 1 -16.494 21.536 10.625 1.00 0.00 C ATOM 3 C MET A 1 -17.073 21.779 12.015 1.00 0.00 C ATOM 4 O MET A 1 -17.009 20.910 12.885 1.00 0.00 O ATOM 5 CB MET A 1 -17.134 22.494 9.616 1.00 0.00 C ATOM 6 CG MET A 1 -18.656 22.421 9.737 1.00 0.00 C ATOM 7 SD MET A 1 -19.390 22.369 8.083 1.00 0.00 S ATOM 8 CE MET A 1 -19.443 20.568 7.914 1.00 0.00 C ATOM 0 H1 MET A 1 -16.659 20.042 9.184 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.099 19.492 10.689 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.741 19.874 10.482 1.00 0.00 H new ATOM 0 HA MET A 1 -15.418 21.710 10.650 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.793 23.513 9.799 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.826 22.232 8.604 1.00 0.00 H new ATOM 0 HG2 MET A 1 -18.945 21.535 10.303 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.030 23.285 10.286 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.870 20.306 6.946 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.432 20.166 7.986 1.00 0.00 H new ATOM 0 HE3 MET A 1 -20.059 20.146 8.708 1.00 0.00 H new ATOM 18 N THR A 2 -17.639 22.966 12.217 1.00 0.00 N ATOM 19 CA THR A 2 -18.228 23.313 13.507 1.00 0.00 C ATOM 20 C THR A 2 -19.737 23.093 13.485 1.00 0.00 C ATOM 21 O THR A 2 -20.289 22.420 14.355 1.00 0.00 O ATOM 22 CB THR A 2 -17.927 24.776 13.839 1.00 0.00 C ATOM 23 OG1 THR A 2 -16.527 25.003 13.748 1.00 0.00 O ATOM 24 CG2 THR A 2 -18.406 25.089 15.257 1.00 0.00 C ATOM 0 H THR A 2 -17.702 23.699 11.510 1.00 0.00 H new ATOM 0 HA THR A 2 -17.792 22.669 14.271 1.00 0.00 H new ATOM 0 HB THR A 2 -18.447 25.423 13.132 1.00 0.00 H new ATOM 0 HG1 THR A 2 -16.333 25.940 13.959 1.00 0.00 H new ATOM 0 HG21 THR A 2 -18.191 26.131 15.492 1.00 0.00 H new ATOM 0 HG22 THR A 2 -19.480 24.916 15.325 1.00 0.00 H new ATOM 0 HG23 THR A 2 -17.889 24.443 15.967 1.00 0.00 H new ATOM 32 N ALA A 3 -20.397 23.662 12.484 1.00 0.00 N ATOM 33 CA ALA A 3 -21.843 23.522 12.355 1.00 0.00 C ATOM 34 C ALA A 3 -22.514 23.524 13.727 1.00 0.00 C ATOM 35 O ALA A 3 -22.105 24.254 14.630 1.00 0.00 O ATOM 36 CB ALA A 3 -22.176 22.219 11.625 1.00 0.00 C ATOM 0 H ALA A 3 -19.958 24.222 11.753 1.00 0.00 H new ATOM 0 HA ALA A 3 -22.219 24.370 11.782 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -23.258 22.120 11.532 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -21.726 22.233 10.632 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -21.782 21.374 12.190 1.00 0.00 H new ATOM 42 N GLU A 4 -23.549 22.701 13.873 1.00 0.00 N ATOM 43 CA GLU A 4 -24.275 22.611 15.133 1.00 0.00 C ATOM 44 C GLU A 4 -24.752 23.990 15.583 1.00 0.00 C ATOM 45 O GLU A 4 -24.800 24.928 14.788 1.00 0.00 O ATOM 46 CB GLU A 4 -23.378 22.001 16.208 1.00 0.00 C ATOM 47 CG GLU A 4 -24.172 20.970 17.011 1.00 0.00 C ATOM 48 CD GLU A 4 -24.179 19.634 16.277 1.00 0.00 C ATOM 49 OE1 GLU A 4 -23.322 19.442 15.431 1.00 0.00 O ATOM 50 OE2 GLU A 4 -25.039 18.821 16.573 1.00 0.00 O ATOM 0 H GLU A 4 -23.902 22.090 13.136 1.00 0.00 H new ATOM 0 HA GLU A 4 -25.146 21.974 14.982 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -22.510 21.529 15.747 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -23.003 22.782 16.869 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -23.731 20.849 18.000 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -25.194 21.319 17.158 1.00 0.00 H new ATOM 57 N LEU A 5 -25.106 24.103 16.860 1.00 0.00 N ATOM 58 CA LEU A 5 -25.582 25.372 17.402 1.00 0.00 C ATOM 59 C LEU A 5 -26.456 26.095 16.382 1.00 0.00 C ATOM 60 O LEU A 5 -27.228 25.470 15.656 1.00 0.00 O ATOM 61 CB LEU A 5 -24.395 26.263 17.778 1.00 0.00 C ATOM 62 CG LEU A 5 -23.529 25.557 18.824 1.00 0.00 C ATOM 63 CD1 LEU A 5 -22.078 25.514 18.340 1.00 0.00 C ATOM 64 CD2 LEU A 5 -23.599 26.323 20.149 1.00 0.00 C ATOM 0 H LEU A 5 -25.073 23.338 17.534 1.00 0.00 H new ATOM 0 HA LEU A 5 -26.174 25.163 18.293 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -23.801 26.487 16.892 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -24.753 27.215 18.171 1.00 0.00 H new ATOM 0 HG LEU A 5 -23.896 24.541 18.971 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -21.461 25.011 19.085 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -22.025 24.970 17.397 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -21.713 26.531 18.193 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -22.982 25.820 20.893 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -23.233 27.339 20.002 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -24.632 26.356 20.496 1.00 0.00 H new ATOM 76 N GLN A 6 -26.327 27.417 16.333 1.00 0.00 N ATOM 77 CA GLN A 6 -27.108 28.219 15.397 1.00 0.00 C ATOM 78 C GLN A 6 -28.520 27.662 15.256 1.00 0.00 C ATOM 79 O GLN A 6 -28.794 26.858 14.366 1.00 0.00 O ATOM 80 CB GLN A 6 -26.424 28.231 14.028 1.00 0.00 C ATOM 81 CG GLN A 6 -26.919 29.430 13.218 1.00 0.00 C ATOM 82 CD GLN A 6 -26.307 29.402 11.820 1.00 0.00 C ATOM 83 OE1 GLN A 6 -25.248 28.808 11.618 1.00 0.00 O ATOM 84 NE2 GLN A 6 -26.915 30.011 10.840 1.00 0.00 N ATOM 0 H GLN A 6 -25.694 27.953 16.926 1.00 0.00 H new ATOM 0 HA GLN A 6 -27.171 29.236 15.784 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -25.342 28.284 14.151 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -26.639 27.305 13.495 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -28.007 29.409 13.149 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -26.650 30.357 13.724 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -27.792 30.502 11.011 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -26.513 29.996 9.903 1.00 0.00 H new ATOM 93 N GLN A 7 -29.414 28.096 16.141 1.00 0.00 N ATOM 94 CA GLN A 7 -30.797 27.633 16.104 1.00 0.00 C ATOM 95 C GLN A 7 -31.524 28.203 14.889 1.00 0.00 C ATOM 96 O GLN A 7 -32.685 27.878 14.642 1.00 0.00 O ATOM 97 CB GLN A 7 -31.525 28.056 17.382 1.00 0.00 C ATOM 98 CG GLN A 7 -31.551 29.582 17.476 1.00 0.00 C ATOM 99 CD GLN A 7 -31.257 30.021 18.906 1.00 0.00 C ATOM 100 OE1 GLN A 7 -30.108 30.310 19.243 1.00 0.00 O ATOM 101 NE2 GLN A 7 -32.230 30.089 19.772 1.00 0.00 N ATOM 0 H GLN A 7 -29.208 28.762 16.886 1.00 0.00 H new ATOM 0 HA GLN A 7 -30.792 26.545 16.032 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -32.542 27.664 17.380 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -31.024 27.636 18.254 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -30.813 30.009 16.797 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -32.526 29.957 17.165 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -33.181 29.849 19.491 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -32.040 30.382 20.730 1.00 0.00 H new ATOM 110 N ASP A 8 -30.835 29.051 14.133 1.00 0.00 N ATOM 111 CA ASP A 8 -31.432 29.655 12.946 1.00 0.00 C ATOM 112 C ASP A 8 -31.377 28.689 11.772 1.00 0.00 C ATOM 113 O ASP A 8 -32.129 28.818 10.807 1.00 0.00 O ATOM 114 CB ASP A 8 -30.691 30.943 12.583 1.00 0.00 C ATOM 115 CG ASP A 8 -31.694 32.045 12.258 1.00 0.00 C ATOM 116 OD1 ASP A 8 -32.285 31.986 11.192 1.00 0.00 O ATOM 117 OD2 ASP A 8 -31.858 32.932 13.080 1.00 0.00 O ATOM 0 H ASP A 8 -29.873 29.334 14.318 1.00 0.00 H new ATOM 0 HA ASP A 8 -32.474 29.887 13.165 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -30.054 31.252 13.412 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -30.039 30.769 11.727 1.00 0.00 H new ATOM 122 N ASP A 9 -30.480 27.722 11.872 1.00 0.00 N ATOM 123 CA ASP A 9 -30.320 26.723 10.820 1.00 0.00 C ATOM 124 C ASP A 9 -31.490 25.751 10.831 1.00 0.00 C ATOM 125 O ASP A 9 -31.743 25.048 9.852 1.00 0.00 O ATOM 126 CB ASP A 9 -29.014 25.955 11.030 1.00 0.00 C ATOM 127 CG ASP A 9 -28.004 26.336 9.953 1.00 0.00 C ATOM 128 OD1 ASP A 9 -27.701 27.513 9.844 1.00 0.00 O ATOM 129 OD2 ASP A 9 -27.547 25.446 9.256 1.00 0.00 O ATOM 0 H ASP A 9 -29.852 27.605 12.667 1.00 0.00 H new ATOM 0 HA ASP A 9 -30.292 27.232 9.856 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -28.607 26.177 12.016 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -29.205 24.882 10.998 1.00 0.00 H new ATOM 134 N ALA A 10 -32.197 25.722 11.948 1.00 0.00 N ATOM 135 CA ALA A 10 -33.344 24.836 12.096 1.00 0.00 C ATOM 136 C ALA A 10 -33.067 23.484 11.449 1.00 0.00 C ATOM 137 O ALA A 10 -33.121 23.347 10.227 1.00 0.00 O ATOM 138 CB ALA A 10 -34.578 25.467 11.450 1.00 0.00 C ATOM 0 H ALA A 10 -31.999 26.300 12.765 1.00 0.00 H new ATOM 0 HA ALA A 10 -33.526 24.686 13.160 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -35.431 24.798 11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -34.795 26.419 11.934 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -34.388 25.634 10.390 1.00 0.00 H new ATOM 144 N ALA A 11 -32.768 22.487 12.275 1.00 0.00 N ATOM 145 CA ALA A 11 -32.484 21.150 11.766 1.00 0.00 C ATOM 146 C ALA A 11 -33.337 20.108 12.484 1.00 0.00 C ATOM 147 O ALA A 11 -32.894 18.985 12.719 1.00 0.00 O ATOM 148 CB ALA A 11 -31.003 20.821 11.962 1.00 0.00 C ATOM 0 H ALA A 11 -32.716 22.577 13.290 1.00 0.00 H new ATOM 0 HA ALA A 11 -32.725 21.129 10.703 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -30.799 19.821 11.579 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -30.395 21.547 11.423 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -30.759 20.860 13.024 1.00 0.00 H new ATOM 154 N GLY A 12 -34.562 20.490 12.829 1.00 0.00 N ATOM 155 CA GLY A 12 -35.466 19.578 13.520 1.00 0.00 C ATOM 156 C GLY A 12 -36.561 19.081 12.583 1.00 0.00 C ATOM 157 O GLY A 12 -36.771 17.877 12.438 1.00 0.00 O ATOM 0 H GLY A 12 -34.949 21.415 12.644 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -34.904 18.730 13.911 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -35.915 20.084 14.375 1.00 0.00 H new ATOM 161 N ALA A 13 -37.260 20.019 11.952 1.00 0.00 N ATOM 162 CA ALA A 13 -38.336 19.668 11.032 1.00 0.00 C ATOM 163 C ALA A 13 -37.836 19.684 9.590 1.00 0.00 C ATOM 164 O ALA A 13 -36.641 19.835 9.339 1.00 0.00 O ATOM 165 CB ALA A 13 -39.494 20.656 11.183 1.00 0.00 C ATOM 0 H ALA A 13 -37.102 21.021 12.060 1.00 0.00 H new ATOM 0 HA ALA A 13 -38.681 18.663 11.273 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -40.294 20.387 10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -39.870 20.622 12.205 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -39.144 21.664 10.959 1.00 0.00 H new ATOM 171 N ALA A 14 -38.759 19.529 8.646 1.00 0.00 N ATOM 172 CA ALA A 14 -38.402 19.526 7.232 1.00 0.00 C ATOM 173 C ALA A 14 -37.084 18.789 7.014 1.00 0.00 C ATOM 174 O ALA A 14 -36.610 18.072 7.895 1.00 0.00 O ATOM 175 CB ALA A 14 -38.276 20.963 6.723 1.00 0.00 C ATOM 0 H ALA A 14 -39.754 19.405 8.833 1.00 0.00 H new ATOM 0 HA ALA A 14 -39.188 19.012 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -38.009 20.953 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -39.227 21.479 6.852 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -37.502 21.482 7.288 1.00 0.00 H new ATOM 181 N ASP A 15 -36.499 18.971 5.835 1.00 0.00 N ATOM 182 CA ASP A 15 -35.237 18.316 5.513 1.00 0.00 C ATOM 183 C ASP A 15 -34.484 19.103 4.444 1.00 0.00 C ATOM 184 O ASP A 15 -34.962 20.131 3.964 1.00 0.00 O ATOM 185 CB ASP A 15 -35.502 16.895 5.013 1.00 0.00 C ATOM 186 CG ASP A 15 -34.424 15.950 5.534 1.00 0.00 C ATOM 187 OD1 ASP A 15 -33.352 15.929 4.952 1.00 0.00 O ATOM 188 OD2 ASP A 15 -34.686 15.261 6.505 1.00 0.00 O ATOM 0 H ASP A 15 -36.874 19.561 5.093 1.00 0.00 H new ATOM 0 HA ASP A 15 -34.627 18.276 6.415 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -36.484 16.560 5.348 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -35.515 16.880 3.923 1.00 0.00 H new ATOM 193 N GLY A 16 -33.305 18.612 4.078 1.00 0.00 N ATOM 194 CA GLY A 16 -32.494 19.277 3.065 1.00 0.00 C ATOM 195 C GLY A 16 -31.008 19.059 3.328 1.00 0.00 C ATOM 196 O GLY A 16 -30.338 18.333 2.593 1.00 0.00 O ATOM 0 H GLY A 16 -32.892 17.763 4.464 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -32.753 18.894 2.078 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -32.714 20.345 3.061 1.00 0.00 H new ATOM 200 N HIS A 17 -30.499 19.691 4.379 1.00 0.00 N ATOM 201 CA HIS A 17 -29.091 19.557 4.729 1.00 0.00 C ATOM 202 C HIS A 17 -28.641 18.107 4.585 1.00 0.00 C ATOM 203 O HIS A 17 -28.949 17.265 5.428 1.00 0.00 O ATOM 204 CB HIS A 17 -28.865 20.022 6.168 1.00 0.00 C ATOM 205 CG HIS A 17 -29.539 19.067 7.113 1.00 0.00 C ATOM 206 ND1 HIS A 17 -30.648 18.321 6.745 1.00 0.00 N ATOM 207 CD2 HIS A 17 -29.270 18.721 8.414 1.00 0.00 C ATOM 208 CE1 HIS A 17 -31.004 17.573 7.805 1.00 0.00 C ATOM 209 NE2 HIS A 17 -30.197 17.778 8.849 1.00 0.00 N ATOM 0 H HIS A 17 -31.036 20.297 4.999 1.00 0.00 H new ATOM 0 HA HIS A 17 -28.505 20.178 4.051 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -27.797 20.071 6.383 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -29.264 21.027 6.304 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -28.462 19.120 9.009 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -31.841 16.890 7.811 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -30.249 17.338 9.768 1.00 0.00 H new ATOM 217 N GLY A 18 -27.911 17.823 3.512 1.00 0.00 N ATOM 218 CA GLY A 18 -27.423 16.472 3.266 1.00 0.00 C ATOM 219 C GLY A 18 -26.837 16.356 1.864 1.00 0.00 C ATOM 220 O GLY A 18 -27.499 15.881 0.941 1.00 0.00 O ATOM 0 H GLY A 18 -27.646 18.506 2.803 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -26.664 16.214 4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -28.239 15.759 3.385 1.00 0.00 H new ATOM 224 N SER A 19 -25.591 16.794 1.711 1.00 0.00 N ATOM 225 CA SER A 19 -24.925 16.736 0.416 1.00 0.00 C ATOM 226 C SER A 19 -23.532 16.130 0.555 1.00 0.00 C ATOM 227 O SER A 19 -22.540 16.724 0.134 1.00 0.00 O ATOM 228 CB SER A 19 -24.819 18.140 -0.180 1.00 0.00 C ATOM 229 OG SER A 19 -23.610 18.747 0.258 1.00 0.00 O ATOM 0 H SER A 19 -25.026 17.190 2.462 1.00 0.00 H new ATOM 0 HA SER A 19 -25.516 16.105 -0.248 1.00 0.00 H new ATOM 0 HB2 SER A 19 -24.839 18.088 -1.269 1.00 0.00 H new ATOM 0 HB3 SER A 19 -25.674 18.743 0.126 1.00 0.00 H new ATOM 0 HG SER A 19 -22.846 18.276 -0.136 1.00 0.00 H new ATOM 235 N SER A 20 -23.467 14.943 1.149 1.00 0.00 N ATOM 236 CA SER A 20 -22.192 14.262 1.339 1.00 0.00 C ATOM 237 C SER A 20 -21.196 15.172 2.053 1.00 0.00 C ATOM 238 O SER A 20 -21.538 16.283 2.459 1.00 0.00 O ATOM 239 CB SER A 20 -21.620 13.837 -0.013 1.00 0.00 C ATOM 240 OG SER A 20 -22.682 13.421 -0.863 1.00 0.00 O ATOM 0 H SER A 20 -24.277 14.435 1.505 1.00 0.00 H new ATOM 0 HA SER A 20 -22.363 13.379 1.954 1.00 0.00 H new ATOM 0 HB2 SER A 20 -21.078 14.666 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 20 -20.906 13.024 0.121 1.00 0.00 H new ATOM 0 HG SER A 20 -22.319 13.149 -1.732 1.00 0.00 H new ATOM 246 N CYS A 21 -19.964 14.694 2.202 1.00 0.00 N ATOM 247 CA CYS A 21 -18.926 15.474 2.869 1.00 0.00 C ATOM 248 C CYS A 21 -17.716 15.644 1.956 1.00 0.00 C ATOM 249 O CYS A 21 -16.936 14.712 1.761 1.00 0.00 O ATOM 250 CB CYS A 21 -18.502 14.776 4.163 1.00 0.00 C ATOM 251 SG CYS A 21 -19.908 14.708 5.299 1.00 0.00 S ATOM 0 H CYS A 21 -19.661 13.777 1.873 1.00 0.00 H new ATOM 0 HA CYS A 21 -19.329 16.459 3.104 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -18.147 13.769 3.946 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.674 15.314 4.624 1.00 0.00 H new ATOM 0 HG CYS A 21 -19.550 14.113 6.398 1.00 0.00 H new ATOM 257 N GLN A 22 -17.568 16.842 1.399 1.00 0.00 N ATOM 258 CA GLN A 22 -16.451 17.129 0.504 1.00 0.00 C ATOM 259 C GLN A 22 -15.146 17.250 1.286 1.00 0.00 C ATOM 260 O GLN A 22 -14.062 17.267 0.703 1.00 0.00 O ATOM 261 CB GLN A 22 -16.717 18.430 -0.256 1.00 0.00 C ATOM 262 CG GLN A 22 -17.028 19.548 0.740 1.00 0.00 C ATOM 263 CD GLN A 22 -17.474 20.804 -0.002 1.00 0.00 C ATOM 264 OE1 GLN A 22 -17.730 20.739 -1.280 1.00 0.00 O flip ATOM 265 NE2 GLN A 22 -17.594 21.872 0.599 1.00 0.00 N flip ATOM 0 H GLN A 22 -18.203 17.626 1.550 1.00 0.00 H new ATOM 0 HA GLN A 22 -16.357 16.305 -0.203 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -15.848 18.696 -0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -17.553 18.298 -0.943 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -17.810 19.226 1.427 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -16.145 19.766 1.341 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -17.393 21.920 1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -17.894 22.708 0.098 1.00 0.00 H new ATOM 274 N MET A 23 -15.257 17.340 2.607 1.00 0.00 N ATOM 275 CA MET A 23 -14.076 17.464 3.458 1.00 0.00 C ATOM 276 C MET A 23 -13.144 16.278 3.260 1.00 0.00 C ATOM 277 O MET A 23 -11.926 16.396 3.396 1.00 0.00 O ATOM 278 CB MET A 23 -14.498 17.529 4.936 1.00 0.00 C ATOM 279 CG MET A 23 -14.144 18.890 5.556 1.00 0.00 C ATOM 280 SD MET A 23 -15.604 19.964 5.542 1.00 0.00 S ATOM 281 CE MET A 23 -15.830 20.041 3.748 1.00 0.00 C ATOM 0 H MET A 23 -16.144 17.330 3.110 1.00 0.00 H new ATOM 0 HA MET A 23 -13.553 18.379 3.182 1.00 0.00 H new ATOM 0 HB2 MET A 23 -15.571 17.357 5.018 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.004 16.733 5.493 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.790 18.754 6.578 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.332 19.356 4.997 1.00 0.00 H new ATOM 0 HE1 MET A 23 -16.213 21.023 3.471 1.00 0.00 H new ATOM 0 HE2 MET A 23 -14.874 19.872 3.253 1.00 0.00 H new ATOM 0 HE3 MET A 23 -16.540 19.274 3.437 1.00 0.00 H new ATOM 291 N LEU A 24 -13.732 15.138 2.954 1.00 0.00 N ATOM 292 CA LEU A 24 -12.962 13.917 2.753 1.00 0.00 C ATOM 293 C LEU A 24 -12.003 14.062 1.584 1.00 0.00 C ATOM 294 O LEU A 24 -10.785 13.983 1.745 1.00 0.00 O ATOM 295 CB LEU A 24 -13.905 12.739 2.503 1.00 0.00 C ATOM 296 CG LEU A 24 -14.145 11.989 3.815 1.00 0.00 C ATOM 297 CD1 LEU A 24 -15.023 12.838 4.736 1.00 0.00 C ATOM 298 CD2 LEU A 24 -14.849 10.663 3.521 1.00 0.00 C ATOM 0 H LEU A 24 -14.739 15.027 2.838 1.00 0.00 H new ATOM 0 HA LEU A 24 -12.379 13.732 3.655 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -14.852 13.097 2.098 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.475 12.066 1.761 1.00 0.00 H new ATOM 0 HG LEU A 24 -13.190 11.795 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -15.194 12.303 5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.523 13.784 4.945 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -15.979 13.033 4.250 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.021 10.127 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -15.804 10.858 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -14.224 10.057 2.865 1.00 0.00 H new ATOM 310 N LEU A 25 -12.562 14.265 0.411 1.00 0.00 N ATOM 311 CA LEU A 25 -11.755 14.412 -0.793 1.00 0.00 C ATOM 312 C LEU A 25 -10.892 15.669 -0.720 1.00 0.00 C ATOM 313 O LEU A 25 -9.708 15.639 -1.056 1.00 0.00 O ATOM 314 CB LEU A 25 -12.656 14.480 -2.030 1.00 0.00 C ATOM 315 CG LEU A 25 -14.042 14.994 -1.636 1.00 0.00 C ATOM 316 CD1 LEU A 25 -14.628 15.818 -2.785 1.00 0.00 C ATOM 317 CD2 LEU A 25 -14.961 13.806 -1.347 1.00 0.00 C ATOM 0 H LEU A 25 -13.568 14.333 0.259 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.101 13.543 -0.869 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.213 15.138 -2.778 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -12.740 13.493 -2.484 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.958 15.618 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -15.615 16.184 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.974 16.664 -2.996 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -14.712 15.194 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -15.949 14.170 -1.066 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -15.043 13.184 -2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.546 13.215 -0.530 1.00 0.00 H new ATOM 329 N ASN A 26 -11.491 16.775 -0.285 1.00 0.00 N ATOM 330 CA ASN A 26 -10.763 18.035 -0.180 1.00 0.00 C ATOM 331 C ASN A 26 -9.538 17.880 0.705 1.00 0.00 C ATOM 332 O ASN A 26 -8.406 18.096 0.272 1.00 0.00 O ATOM 333 CB ASN A 26 -11.675 19.120 0.393 1.00 0.00 C ATOM 334 CG ASN A 26 -10.918 20.439 0.471 1.00 0.00 C ATOM 335 OD1 ASN A 26 -10.799 21.027 1.547 1.00 0.00 O ATOM 336 ND2 ASN A 26 -10.395 20.943 -0.613 1.00 0.00 N ATOM 0 H ASN A 26 -12.470 16.824 -0.002 1.00 0.00 H new ATOM 0 HA ASN A 26 -10.437 18.324 -1.179 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -12.559 19.234 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -12.023 18.830 1.385 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.886 21.826 -0.571 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -10.495 20.454 -1.503 1.00 0.00 H new ATOM 343 N GLN A 27 -9.777 17.496 1.941 1.00 0.00 N ATOM 344 CA GLN A 27 -8.691 17.301 2.892 1.00 0.00 C ATOM 345 C GLN A 27 -7.642 16.371 2.288 1.00 0.00 C ATOM 346 O GLN A 27 -6.447 16.678 2.276 1.00 0.00 O ATOM 347 CB GLN A 27 -9.237 16.703 4.190 1.00 0.00 C ATOM 348 CG GLN A 27 -10.077 17.750 4.927 1.00 0.00 C ATOM 349 CD GLN A 27 -9.169 18.707 5.693 1.00 0.00 C ATOM 350 OE1 GLN A 27 -8.209 18.275 6.334 1.00 0.00 O ATOM 351 NE2 GLN A 27 -9.415 19.989 5.668 1.00 0.00 N ATOM 0 H GLN A 27 -10.708 17.312 2.315 1.00 0.00 H new ATOM 0 HA GLN A 27 -8.230 18.263 3.114 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.844 15.825 3.970 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.414 16.371 4.823 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.686 18.306 4.214 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -10.763 17.258 5.616 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -10.210 20.346 5.137 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -8.812 20.634 6.179 1.00 0.00 H new ATOM 360 N LEU A 28 -8.106 15.237 1.775 1.00 0.00 N ATOM 361 CA LEU A 28 -7.221 14.262 1.156 1.00 0.00 C ATOM 362 C LEU A 28 -6.212 14.937 0.226 1.00 0.00 C ATOM 363 O LEU A 28 -5.002 14.806 0.401 1.00 0.00 O ATOM 364 CB LEU A 28 -8.073 13.309 0.323 1.00 0.00 C ATOM 365 CG LEU A 28 -8.272 11.989 1.051 1.00 0.00 C ATOM 366 CD1 LEU A 28 -9.262 11.137 0.251 1.00 0.00 C ATOM 367 CD2 LEU A 28 -6.931 11.255 1.174 1.00 0.00 C ATOM 0 H LEU A 28 -9.091 14.972 1.776 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.675 13.738 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.041 13.765 0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.593 13.130 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.662 12.170 2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.417 10.185 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.213 11.664 0.170 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.862 10.955 -0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.080 10.310 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.530 11.060 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.228 11.872 1.734 1.00 0.00 H new ATOM 379 N ARG A 29 -6.731 15.639 -0.778 1.00 0.00 N ATOM 380 CA ARG A 29 -5.886 16.315 -1.761 1.00 0.00 C ATOM 381 C ARG A 29 -5.138 17.499 -1.157 1.00 0.00 C ATOM 382 O ARG A 29 -4.137 17.954 -1.708 1.00 0.00 O ATOM 383 CB ARG A 29 -6.737 16.791 -2.939 1.00 0.00 C ATOM 384 CG ARG A 29 -7.211 18.226 -2.696 1.00 0.00 C ATOM 385 CD ARG A 29 -8.534 18.445 -3.421 1.00 0.00 C ATOM 386 NE ARG A 29 -8.391 18.132 -4.838 1.00 0.00 N ATOM 387 CZ ARG A 29 -9.443 17.793 -5.575 1.00 0.00 C ATOM 388 NH1 ARG A 29 -10.629 17.742 -5.035 1.00 0.00 N ATOM 389 NH2 ARG A 29 -9.287 17.514 -6.841 1.00 0.00 N ATOM 0 H ARG A 29 -7.732 15.755 -0.933 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.144 15.594 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.157 16.742 -3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -7.596 16.132 -3.067 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.334 18.406 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.464 18.934 -3.055 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.307 17.817 -2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -8.856 19.479 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.468 18.174 -5.270 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.749 17.962 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.436 17.482 -5.601 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.359 17.557 -7.262 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.093 17.253 -7.409 1.00 0.00 H new ATOM 403 N GLU A 30 -5.630 18.008 -0.039 1.00 0.00 N ATOM 404 CA GLU A 30 -4.988 19.153 0.600 1.00 0.00 C ATOM 405 C GLU A 30 -3.791 18.709 1.426 1.00 0.00 C ATOM 406 O GLU A 30 -2.902 19.506 1.727 1.00 0.00 O ATOM 407 CB GLU A 30 -5.986 19.880 1.503 1.00 0.00 C ATOM 408 CG GLU A 30 -6.954 20.709 0.655 1.00 0.00 C ATOM 409 CD GLU A 30 -7.065 22.118 1.228 1.00 0.00 C ATOM 410 OE1 GLU A 30 -7.766 22.281 2.213 1.00 0.00 O ATOM 411 OE2 GLU A 30 -6.445 23.012 0.675 1.00 0.00 O ATOM 0 H GLU A 30 -6.458 17.656 0.441 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.645 19.829 -0.183 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.541 19.157 2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.454 20.528 2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.603 20.752 -0.376 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.935 20.235 0.638 1.00 0.00 H new ATOM 418 N ILE A 31 -3.780 17.439 1.797 1.00 0.00 N ATOM 419 CA ILE A 31 -2.690 16.904 2.601 1.00 0.00 C ATOM 420 C ILE A 31 -1.672 16.179 1.744 1.00 0.00 C ATOM 421 O ILE A 31 -0.468 16.413 1.843 1.00 0.00 O ATOM 422 CB ILE A 31 -3.246 15.930 3.628 1.00 0.00 C ATOM 423 CG1 ILE A 31 -4.344 16.619 4.430 1.00 0.00 C ATOM 424 CG2 ILE A 31 -2.124 15.487 4.561 1.00 0.00 C ATOM 425 CD1 ILE A 31 -5.237 15.565 5.086 1.00 0.00 C ATOM 0 H ILE A 31 -4.506 16.764 1.558 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.197 17.742 3.094 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.661 15.057 3.124 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.903 17.262 5.192 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.938 17.259 3.778 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.519 14.789 5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -1.341 14.998 3.982 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.710 16.357 5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.022 16.059 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.689 14.940 4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.638 14.944 5.752 1.00 0.00 H new ATOM 437 N THR A 32 -2.174 15.283 0.927 1.00 0.00 N ATOM 438 CA THR A 32 -1.325 14.481 0.061 1.00 0.00 C ATOM 439 C THR A 32 -1.016 15.205 -1.244 1.00 0.00 C ATOM 440 O THR A 32 0.090 15.100 -1.774 1.00 0.00 O ATOM 441 CB THR A 32 -2.036 13.170 -0.247 1.00 0.00 C ATOM 442 OG1 THR A 32 -2.943 13.375 -1.320 1.00 0.00 O ATOM 443 CG2 THR A 32 -2.806 12.706 0.987 1.00 0.00 C ATOM 0 H THR A 32 -3.171 15.086 0.840 1.00 0.00 H new ATOM 0 HA THR A 32 -0.382 14.297 0.576 1.00 0.00 H new ATOM 0 HB THR A 32 -1.304 12.411 -0.523 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.737 13.847 -0.992 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.315 11.768 0.767 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.112 12.557 1.814 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.542 13.462 1.262 1.00 0.00 H new ATOM 451 N GLY A 33 -1.997 15.930 -1.763 1.00 0.00 N ATOM 452 CA GLY A 33 -1.804 16.654 -3.017 1.00 0.00 C ATOM 453 C GLY A 33 -1.877 15.695 -4.197 1.00 0.00 C ATOM 454 O GLY A 33 -1.145 15.838 -5.176 1.00 0.00 O ATOM 0 H GLY A 33 -2.922 16.034 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.566 17.427 -3.120 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.838 17.158 -3.009 1.00 0.00 H new ATOM 458 N ILE A 34 -2.752 14.706 -4.080 1.00 0.00 N ATOM 459 CA ILE A 34 -2.906 13.703 -5.126 1.00 0.00 C ATOM 460 C ILE A 34 -4.075 14.041 -6.047 1.00 0.00 C ATOM 461 O ILE A 34 -5.013 14.733 -5.652 1.00 0.00 O ATOM 462 CB ILE A 34 -3.133 12.339 -4.480 1.00 0.00 C ATOM 463 CG1 ILE A 34 -2.027 12.103 -3.425 1.00 0.00 C ATOM 464 CG2 ILE A 34 -3.141 11.251 -5.562 1.00 0.00 C ATOM 465 CD1 ILE A 34 -0.939 11.162 -3.938 1.00 0.00 C ATOM 0 H ILE A 34 -3.364 14.576 -3.275 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.998 13.685 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.100 12.303 -3.978 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.580 13.058 -3.149 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.471 11.686 -2.521 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.303 10.278 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.942 11.452 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.184 11.249 -6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.183 11.024 -3.165 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -1.381 10.198 -4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.476 11.591 -4.826 1.00 0.00 H new ATOM 477 N GLN A 35 -4.003 13.542 -7.275 1.00 0.00 N ATOM 478 CA GLN A 35 -5.049 13.782 -8.261 1.00 0.00 C ATOM 479 C GLN A 35 -5.626 12.456 -8.744 1.00 0.00 C ATOM 480 O GLN A 35 -6.176 12.367 -9.841 1.00 0.00 O ATOM 481 CB GLN A 35 -4.479 14.557 -9.451 1.00 0.00 C ATOM 482 CG GLN A 35 -4.146 15.986 -9.019 1.00 0.00 C ATOM 483 CD GLN A 35 -2.734 16.349 -9.469 1.00 0.00 C ATOM 484 OE1 GLN A 35 -1.810 16.378 -8.656 1.00 0.00 O ATOM 485 NE2 GLN A 35 -2.512 16.632 -10.724 1.00 0.00 N ATOM 0 H GLN A 35 -3.230 12.968 -7.612 1.00 0.00 H new ATOM 0 HA GLN A 35 -5.841 14.369 -7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -3.583 14.061 -9.826 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.201 14.572 -10.268 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -4.865 16.682 -9.451 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -4.226 16.076 -7.936 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -3.279 16.607 -11.396 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -1.571 16.878 -11.033 1.00 0.00 H new ATOM 494 N ASP A 36 -5.484 11.426 -7.916 1.00 0.00 N ATOM 495 CA ASP A 36 -5.982 10.103 -8.263 1.00 0.00 C ATOM 496 C ASP A 36 -6.976 9.619 -7.215 1.00 0.00 C ATOM 497 O ASP A 36 -6.665 8.742 -6.407 1.00 0.00 O ATOM 498 CB ASP A 36 -4.816 9.117 -8.358 1.00 0.00 C ATOM 499 CG ASP A 36 -5.108 8.067 -9.424 1.00 0.00 C ATOM 500 OD1 ASP A 36 -5.333 8.451 -10.560 1.00 0.00 O ATOM 501 OD2 ASP A 36 -5.107 6.894 -9.088 1.00 0.00 O ATOM 0 H ASP A 36 -5.030 11.483 -7.004 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.486 10.162 -9.228 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.897 9.650 -8.603 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.658 8.634 -7.394 1.00 0.00 H new ATOM 506 N PRO A 37 -8.158 10.173 -7.217 1.00 0.00 N ATOM 507 CA PRO A 37 -9.227 9.800 -6.255 1.00 0.00 C ATOM 508 C PRO A 37 -9.232 8.312 -5.944 1.00 0.00 C ATOM 509 O PRO A 37 -9.771 7.874 -4.931 1.00 0.00 O ATOM 510 CB PRO A 37 -10.489 10.202 -6.997 1.00 0.00 C ATOM 511 CG PRO A 37 -10.095 11.402 -7.794 1.00 0.00 C ATOM 512 CD PRO A 37 -8.616 11.221 -8.147 1.00 0.00 C ATOM 0 HA PRO A 37 -9.107 10.282 -5.285 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.843 9.397 -7.642 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.298 10.435 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.702 11.486 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.248 12.316 -7.221 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.487 10.918 -9.186 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.057 12.147 -8.013 1.00 0.00 H new ATOM 520 N SER A 38 -8.640 7.554 -6.844 1.00 0.00 N ATOM 521 CA SER A 38 -8.579 6.100 -6.700 1.00 0.00 C ATOM 522 C SER A 38 -7.675 5.681 -5.542 1.00 0.00 C ATOM 523 O SER A 38 -8.100 4.941 -4.651 1.00 0.00 O ATOM 524 CB SER A 38 -8.056 5.473 -7.993 1.00 0.00 C ATOM 525 OG SER A 38 -9.107 5.426 -8.949 1.00 0.00 O ATOM 0 H SER A 38 -8.192 7.914 -7.686 1.00 0.00 H new ATOM 0 HA SER A 38 -9.589 5.749 -6.489 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.221 6.056 -8.382 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.681 4.468 -7.798 1.00 0.00 H new ATOM 0 HG SER A 38 -8.776 5.026 -9.780 1.00 0.00 H new ATOM 531 N PHE A 39 -6.430 6.154 -5.546 1.00 0.00 N ATOM 532 CA PHE A 39 -5.511 5.799 -4.478 1.00 0.00 C ATOM 533 C PHE A 39 -5.875 6.593 -3.220 1.00 0.00 C ATOM 534 O PHE A 39 -5.658 6.135 -2.089 1.00 0.00 O ATOM 535 CB PHE A 39 -4.055 6.038 -4.943 1.00 0.00 C ATOM 536 CG PHE A 39 -3.366 7.040 -4.072 1.00 0.00 C ATOM 537 CD1 PHE A 39 -3.908 8.304 -3.945 1.00 0.00 C ATOM 538 CD2 PHE A 39 -2.181 6.708 -3.405 1.00 0.00 C ATOM 539 CE1 PHE A 39 -3.284 9.253 -3.150 1.00 0.00 C ATOM 540 CE2 PHE A 39 -1.546 7.661 -2.605 1.00 0.00 C ATOM 541 CZ PHE A 39 -2.100 8.941 -2.478 1.00 0.00 C ATOM 0 H PHE A 39 -6.045 6.770 -6.262 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.593 4.741 -4.231 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -3.505 5.097 -4.924 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -4.053 6.387 -5.975 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.820 8.554 -4.466 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -1.759 5.719 -3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.715 10.238 -3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -0.632 7.412 -2.087 1.00 0.00 H new ATOM 0 HZ PHE A 39 -1.614 9.684 -1.863 1.00 0.00 H new ATOM 551 N LEU A 40 -6.491 7.762 -3.423 1.00 0.00 N ATOM 552 CA LEU A 40 -6.929 8.576 -2.299 1.00 0.00 C ATOM 553 C LEU A 40 -7.941 7.782 -1.500 1.00 0.00 C ATOM 554 O LEU A 40 -7.742 7.480 -0.322 1.00 0.00 O ATOM 555 CB LEU A 40 -7.607 9.862 -2.780 1.00 0.00 C ATOM 556 CG LEU A 40 -6.560 10.843 -3.325 1.00 0.00 C ATOM 557 CD1 LEU A 40 -7.182 11.717 -4.416 1.00 0.00 C ATOM 558 CD2 LEU A 40 -6.050 11.738 -2.193 1.00 0.00 C ATOM 0 H LEU A 40 -6.692 8.156 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.058 8.838 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.336 9.629 -3.556 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.154 10.323 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.730 10.275 -3.744 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.433 12.411 -4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.539 11.085 -5.229 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.018 12.279 -3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.307 12.433 -2.585 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.883 12.299 -1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -5.596 11.121 -1.418 1.00 0.00 H new ATOM 570 N HIS A 41 -9.030 7.427 -2.173 1.00 0.00 N ATOM 571 CA HIS A 41 -10.077 6.653 -1.542 1.00 0.00 C ATOM 572 C HIS A 41 -9.483 5.412 -0.903 1.00 0.00 C ATOM 573 O HIS A 41 -9.718 5.150 0.271 1.00 0.00 O ATOM 574 CB HIS A 41 -11.139 6.251 -2.568 1.00 0.00 C ATOM 575 CG HIS A 41 -12.511 6.476 -1.988 1.00 0.00 C ATOM 576 ND1 HIS A 41 -12.713 6.719 -0.637 1.00 0.00 N ATOM 577 CD2 HIS A 41 -13.758 6.502 -2.562 1.00 0.00 C ATOM 578 CE1 HIS A 41 -14.034 6.881 -0.446 1.00 0.00 C ATOM 579 NE2 HIS A 41 -14.718 6.758 -1.587 1.00 0.00 N ATOM 0 H HIS A 41 -9.205 7.664 -3.150 1.00 0.00 H new ATOM 0 HA HIS A 41 -10.549 7.265 -0.774 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -11.018 6.836 -3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -11.016 5.203 -2.842 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -13.963 6.347 -3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -14.487 7.086 0.513 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -15.727 6.835 -1.716 1.00 0.00 H new ATOM 587 N GLU A 42 -8.691 4.664 -1.676 1.00 0.00 N ATOM 588 CA GLU A 42 -8.064 3.460 -1.146 1.00 0.00 C ATOM 589 C GLU A 42 -7.595 3.736 0.268 1.00 0.00 C ATOM 590 O GLU A 42 -7.854 2.960 1.191 1.00 0.00 O ATOM 591 CB GLU A 42 -6.874 3.058 -2.020 1.00 0.00 C ATOM 592 CG GLU A 42 -6.239 1.781 -1.468 1.00 0.00 C ATOM 593 CD GLU A 42 -5.343 1.146 -2.528 1.00 0.00 C ATOM 594 OE1 GLU A 42 -5.848 0.845 -3.597 1.00 0.00 O ATOM 595 OE2 GLU A 42 -4.167 0.970 -2.255 1.00 0.00 O ATOM 0 H GLU A 42 -8.474 4.869 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.785 2.642 -1.144 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.202 2.898 -3.047 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.138 3.862 -2.042 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.656 2.011 -0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.016 1.078 -1.168 1.00 0.00 H new ATOM 602 N ALA A 43 -6.926 4.865 0.434 1.00 0.00 N ATOM 603 CA ALA A 43 -6.448 5.258 1.748 1.00 0.00 C ATOM 604 C ALA A 43 -7.623 5.414 2.707 1.00 0.00 C ATOM 605 O ALA A 43 -7.610 4.871 3.809 1.00 0.00 O ATOM 606 CB ALA A 43 -5.694 6.575 1.647 1.00 0.00 C ATOM 0 H ALA A 43 -6.704 5.519 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.779 4.485 2.127 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.337 6.867 2.635 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.844 6.457 0.974 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.359 7.346 1.259 1.00 0.00 H new ATOM 612 N LEU A 44 -8.640 6.155 2.277 1.00 0.00 N ATOM 613 CA LEU A 44 -9.823 6.366 3.112 1.00 0.00 C ATOM 614 C LEU A 44 -10.463 5.025 3.481 1.00 0.00 C ATOM 615 O LEU A 44 -11.141 4.917 4.504 1.00 0.00 O ATOM 616 CB LEU A 44 -10.846 7.238 2.373 1.00 0.00 C ATOM 617 CG LEU A 44 -10.442 8.724 2.420 1.00 0.00 C ATOM 618 CD1 LEU A 44 -10.917 9.353 3.726 1.00 0.00 C ATOM 619 CD2 LEU A 44 -8.920 8.875 2.309 1.00 0.00 C ATOM 0 H LEU A 44 -8.672 6.615 1.367 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.512 6.874 4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.925 6.912 1.336 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -11.830 7.111 2.823 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.911 9.232 1.577 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -10.627 10.403 3.751 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.002 9.274 3.794 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.462 8.831 4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.656 9.932 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.441 8.353 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.580 8.447 1.366 1.00 0.00 H new ATOM 631 N LYS A 45 -10.242 4.006 2.651 1.00 0.00 N ATOM 632 CA LYS A 45 -10.804 2.682 2.917 1.00 0.00 C ATOM 633 C LYS A 45 -9.973 1.952 3.967 1.00 0.00 C ATOM 634 O LYS A 45 -10.510 1.249 4.822 1.00 0.00 O ATOM 635 CB LYS A 45 -10.835 1.827 1.640 1.00 0.00 C ATOM 636 CG LYS A 45 -11.331 2.629 0.430 1.00 0.00 C ATOM 637 CD LYS A 45 -12.514 3.529 0.808 1.00 0.00 C ATOM 638 CE LYS A 45 -13.732 2.663 1.139 1.00 0.00 C ATOM 639 NZ LYS A 45 -14.974 3.398 0.763 1.00 0.00 N ATOM 0 H LYS A 45 -9.685 4.070 1.799 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.822 2.827 3.280 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -9.836 1.442 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.484 0.965 1.795 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.518 3.239 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.630 1.946 -0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.253 4.150 1.665 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.748 4.204 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.678 1.717 0.600 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.745 2.424 2.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.805 2.813 0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.025 4.289 1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.960 3.605 -0.256 1.00 0.00 H new ATOM 653 N ALA A 46 -8.656 2.113 3.883 1.00 0.00 N ATOM 654 CA ALA A 46 -7.754 1.451 4.820 1.00 0.00 C ATOM 655 C ALA A 46 -7.696 2.201 6.152 1.00 0.00 C ATOM 656 O ALA A 46 -7.412 1.609 7.193 1.00 0.00 O ATOM 657 CB ALA A 46 -6.351 1.369 4.213 1.00 0.00 C ATOM 0 H ALA A 46 -8.192 2.691 3.182 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.133 0.447 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.679 0.874 4.915 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.389 0.800 3.284 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.984 2.375 4.007 1.00 0.00 H new ATOM 663 N SER A 47 -7.957 3.502 6.109 1.00 0.00 N ATOM 664 CA SER A 47 -7.923 4.324 7.315 1.00 0.00 C ATOM 665 C SER A 47 -9.280 4.333 8.018 1.00 0.00 C ATOM 666 O SER A 47 -9.502 5.113 8.945 1.00 0.00 O ATOM 667 CB SER A 47 -7.523 5.754 6.953 1.00 0.00 C ATOM 668 OG SER A 47 -8.694 6.524 6.715 1.00 0.00 O ATOM 0 H SER A 47 -8.194 4.010 5.257 1.00 0.00 H new ATOM 0 HA SER A 47 -7.188 3.896 7.997 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.941 6.197 7.761 1.00 0.00 H new ATOM 0 HB3 SER A 47 -6.888 5.753 6.067 1.00 0.00 H new ATOM 0 HG SER A 47 -8.443 7.453 6.530 1.00 0.00 H new ATOM 674 N ASN A 48 -10.183 3.462 7.579 1.00 0.00 N ATOM 675 CA ASN A 48 -11.510 3.378 8.183 1.00 0.00 C ATOM 676 C ASN A 48 -12.151 4.761 8.284 1.00 0.00 C ATOM 677 O ASN A 48 -12.935 5.026 9.196 1.00 0.00 O ATOM 678 CB ASN A 48 -11.408 2.759 9.579 1.00 0.00 C ATOM 679 CG ASN A 48 -9.943 2.557 9.952 1.00 0.00 C ATOM 680 OD1 ASN A 48 -9.240 1.774 9.311 1.00 0.00 O ATOM 681 ND2 ASN A 48 -9.437 3.219 10.956 1.00 0.00 N ATOM 0 H ASN A 48 -10.023 2.808 6.813 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.135 2.750 7.548 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -11.892 3.407 10.310 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.933 1.804 9.602 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.458 3.089 11.211 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.020 3.867 11.486 1.00 0.00 H new ATOM 688 N GLY A 49 -11.814 5.637 7.344 1.00 0.00 N ATOM 689 CA GLY A 49 -12.364 6.988 7.337 1.00 0.00 C ATOM 690 C GLY A 49 -11.357 7.991 7.889 1.00 0.00 C ATOM 691 O GLY A 49 -11.423 9.182 7.585 1.00 0.00 O ATOM 0 H GLY A 49 -11.167 5.438 6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.640 7.267 6.320 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.276 7.016 7.934 1.00 0.00 H new ATOM 695 N ASP A 50 -10.421 7.502 8.696 1.00 0.00 N ATOM 696 CA ASP A 50 -9.402 8.367 9.278 1.00 0.00 C ATOM 697 C ASP A 50 -8.539 8.977 8.178 1.00 0.00 C ATOM 698 O ASP A 50 -7.596 8.353 7.692 1.00 0.00 O ATOM 699 CB ASP A 50 -8.531 7.564 10.245 1.00 0.00 C ATOM 700 CG ASP A 50 -7.467 8.466 10.862 1.00 0.00 C ATOM 701 OD1 ASP A 50 -7.022 9.373 10.181 1.00 0.00 O ATOM 702 OD2 ASP A 50 -7.116 8.235 12.007 1.00 0.00 O ATOM 0 H ASP A 50 -10.347 6.520 8.960 1.00 0.00 H new ATOM 0 HA ASP A 50 -9.891 9.173 9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.150 7.129 11.030 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.057 6.736 9.718 1.00 0.00 H new ATOM 707 N ILE A 51 -8.886 10.196 7.778 1.00 0.00 N ATOM 708 CA ILE A 51 -8.160 10.889 6.717 1.00 0.00 C ATOM 709 C ILE A 51 -6.669 11.009 7.041 1.00 0.00 C ATOM 710 O ILE A 51 -5.823 10.636 6.230 1.00 0.00 O ATOM 711 CB ILE A 51 -8.769 12.282 6.504 1.00 0.00 C ATOM 712 CG1 ILE A 51 -8.443 12.792 5.095 1.00 0.00 C ATOM 713 CG2 ILE A 51 -8.208 13.261 7.537 1.00 0.00 C ATOM 714 CD1 ILE A 51 -9.728 13.287 4.429 1.00 0.00 C ATOM 0 H ILE A 51 -9.664 10.725 8.171 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.252 10.304 5.802 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.850 12.210 6.620 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.712 13.599 5.148 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.995 11.995 4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -8.645 14.247 7.379 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.453 12.912 8.540 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.125 13.323 7.429 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -9.502 13.651 3.427 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -10.443 12.467 4.364 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -10.156 14.096 5.021 1.00 0.00 H new ATOM 726 N THR A 52 -6.352 11.537 8.219 1.00 0.00 N ATOM 727 CA THR A 52 -4.961 11.705 8.625 1.00 0.00 C ATOM 728 C THR A 52 -4.184 10.410 8.450 1.00 0.00 C ATOM 729 O THR A 52 -3.074 10.403 7.922 1.00 0.00 O ATOM 730 CB THR A 52 -4.880 12.122 10.087 1.00 0.00 C ATOM 731 OG1 THR A 52 -5.381 13.443 10.237 1.00 0.00 O ATOM 732 CG2 THR A 52 -3.420 12.065 10.529 1.00 0.00 C ATOM 0 H THR A 52 -7.036 11.854 8.906 1.00 0.00 H new ATOM 0 HA THR A 52 -4.526 12.479 7.992 1.00 0.00 H new ATOM 0 HB THR A 52 -5.479 11.450 10.701 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.329 13.708 11.179 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.345 12.361 11.575 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.044 11.049 10.412 1.00 0.00 H new ATOM 0 HG23 THR A 52 -2.828 12.744 9.916 1.00 0.00 H new ATOM 740 N GLN A 53 -4.765 9.311 8.897 1.00 0.00 N ATOM 741 CA GLN A 53 -4.098 8.031 8.764 1.00 0.00 C ATOM 742 C GLN A 53 -3.984 7.685 7.290 1.00 0.00 C ATOM 743 O GLN A 53 -2.894 7.432 6.788 1.00 0.00 O ATOM 744 CB GLN A 53 -4.883 6.944 9.486 1.00 0.00 C ATOM 745 CG GLN A 53 -4.422 6.856 10.942 1.00 0.00 C ATOM 746 CD GLN A 53 -3.122 6.065 11.029 1.00 0.00 C ATOM 747 OE1 GLN A 53 -2.342 5.992 9.986 1.00 0.00 O flip ATOM 748 NE2 GLN A 53 -2.809 5.499 12.077 1.00 0.00 N flip ATOM 0 H GLN A 53 -5.680 9.279 9.347 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.106 8.096 9.210 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.950 7.164 9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -4.736 5.985 8.989 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.276 7.857 11.347 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.191 6.376 11.547 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.421 5.558 12.891 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -1.938 4.971 12.131 1.00 0.00 H new ATOM 757 N ALA A 54 -5.118 7.712 6.594 1.00 0.00 N ATOM 758 CA ALA A 54 -5.124 7.422 5.169 1.00 0.00 C ATOM 759 C ALA A 54 -3.928 8.093 4.545 1.00 0.00 C ATOM 760 O ALA A 54 -3.088 7.460 3.907 1.00 0.00 O ATOM 761 CB ALA A 54 -6.409 7.951 4.527 1.00 0.00 C ATOM 0 H ALA A 54 -6.032 7.929 6.991 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.079 6.345 5.010 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.401 7.728 3.460 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.271 7.473 4.992 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.471 9.030 4.671 1.00 0.00 H new ATOM 767 N VAL A 55 -3.851 9.381 4.784 1.00 0.00 N ATOM 768 CA VAL A 55 -2.747 10.178 4.304 1.00 0.00 C ATOM 769 C VAL A 55 -1.452 9.451 4.609 1.00 0.00 C ATOM 770 O VAL A 55 -0.659 9.149 3.719 1.00 0.00 O ATOM 771 CB VAL A 55 -2.777 11.532 5.018 1.00 0.00 C ATOM 772 CG1 VAL A 55 -1.471 12.291 4.789 1.00 0.00 C ATOM 773 CG2 VAL A 55 -3.964 12.350 4.506 1.00 0.00 C ATOM 0 H VAL A 55 -4.548 9.904 5.314 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.822 10.336 3.228 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.888 11.366 6.090 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.513 13.250 5.305 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.637 11.706 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.330 12.459 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.987 13.314 5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -3.862 12.507 3.432 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.890 11.812 4.707 1.00 0.00 H new ATOM 783 N SER A 56 -1.269 9.169 5.886 1.00 0.00 N ATOM 784 CA SER A 56 -0.082 8.467 6.361 1.00 0.00 C ATOM 785 C SER A 56 0.178 7.214 5.535 1.00 0.00 C ATOM 786 O SER A 56 1.307 6.956 5.130 1.00 0.00 O ATOM 787 CB SER A 56 -0.258 8.090 7.831 1.00 0.00 C ATOM 788 OG SER A 56 1.018 8.023 8.454 1.00 0.00 O ATOM 0 H SER A 56 -1.931 9.416 6.621 1.00 0.00 H new ATOM 0 HA SER A 56 0.775 9.132 6.254 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.883 8.827 8.335 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.767 7.130 7.914 1.00 0.00 H new ATOM 0 HG SER A 56 1.470 7.196 8.186 1.00 0.00 H new ATOM 794 N LEU A 57 -0.864 6.434 5.288 1.00 0.00 N ATOM 795 CA LEU A 57 -0.703 5.215 4.506 1.00 0.00 C ATOM 796 C LEU A 57 -0.293 5.538 3.080 1.00 0.00 C ATOM 797 O LEU A 57 0.342 4.730 2.402 1.00 0.00 O ATOM 798 CB LEU A 57 -2.011 4.434 4.472 1.00 0.00 C ATOM 799 CG LEU A 57 -2.266 3.793 5.830 1.00 0.00 C ATOM 800 CD1 LEU A 57 -2.812 4.843 6.792 1.00 0.00 C ATOM 801 CD2 LEU A 57 -3.291 2.666 5.671 1.00 0.00 C ATOM 0 H LEU A 57 -1.814 6.617 5.610 1.00 0.00 H new ATOM 0 HA LEU A 57 0.076 4.617 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.835 5.099 4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.966 3.666 3.700 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.334 3.388 6.225 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.995 4.386 7.764 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.086 5.649 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.746 5.246 6.399 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.477 2.204 6.641 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.223 3.074 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.904 1.917 4.980 1.00 0.00 H new ATOM 813 N LEU A 58 -0.691 6.711 2.623 1.00 0.00 N ATOM 814 CA LEU A 58 -0.388 7.121 1.253 1.00 0.00 C ATOM 815 C LEU A 58 0.974 7.781 1.121 1.00 0.00 C ATOM 816 O LEU A 58 1.545 7.822 0.032 1.00 0.00 O ATOM 817 CB LEU A 58 -1.434 8.102 0.726 1.00 0.00 C ATOM 818 CG LEU A 58 -2.832 7.484 0.755 1.00 0.00 C ATOM 819 CD1 LEU A 58 -3.853 8.557 0.362 1.00 0.00 C ATOM 820 CD2 LEU A 58 -2.920 6.309 -0.234 1.00 0.00 C ATOM 0 H LEU A 58 -1.219 7.393 3.168 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.393 6.201 0.669 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.422 9.010 1.329 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.183 8.393 -0.294 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.041 7.112 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.855 8.129 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.800 9.385 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.631 8.921 -0.641 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.922 5.880 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.711 6.666 -1.242 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.190 5.547 0.040 1.00 0.00 H new ATOM 832 N THR A 59 1.475 8.334 2.200 1.00 0.00 N ATOM 833 CA THR A 59 2.756 9.018 2.133 1.00 0.00 C ATOM 834 C THR A 59 3.745 8.483 3.158 1.00 0.00 C ATOM 835 O THR A 59 4.779 9.099 3.416 1.00 0.00 O ATOM 836 CB THR A 59 2.528 10.510 2.332 1.00 0.00 C ATOM 837 OG1 THR A 59 3.739 11.128 2.747 1.00 0.00 O ATOM 838 CG2 THR A 59 1.444 10.725 3.391 1.00 0.00 C ATOM 0 H THR A 59 1.031 8.328 3.118 1.00 0.00 H new ATOM 0 HA THR A 59 3.195 8.836 1.152 1.00 0.00 H new ATOM 0 HB THR A 59 2.205 10.956 1.392 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.495 10.541 2.536 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.281 11.793 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.516 10.257 3.062 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.762 10.278 4.333 1.00 0.00 H new ATOM 846 N ASP A 60 3.432 7.331 3.725 1.00 0.00 N ATOM 847 CA ASP A 60 4.311 6.715 4.705 1.00 0.00 C ATOM 848 C ASP A 60 5.536 6.138 4.005 1.00 0.00 C ATOM 849 O ASP A 60 6.163 5.202 4.498 1.00 0.00 O ATOM 850 CB ASP A 60 3.565 5.601 5.442 1.00 0.00 C ATOM 851 CG ASP A 60 2.998 6.136 6.753 1.00 0.00 C ATOM 852 OD1 ASP A 60 3.730 6.806 7.462 1.00 0.00 O ATOM 853 OD2 ASP A 60 1.839 5.871 7.026 1.00 0.00 O ATOM 0 H ASP A 60 2.581 6.805 3.526 1.00 0.00 H new ATOM 0 HA ASP A 60 4.630 7.469 5.425 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.759 5.216 4.817 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.240 4.769 5.640 1.00 0.00 H new ATOM 858 N GLU A 61 5.852 6.698 2.838 1.00 0.00 N ATOM 859 CA GLU A 61 6.988 6.232 2.049 1.00 0.00 C ATOM 860 C GLU A 61 6.631 4.903 1.400 1.00 0.00 C ATOM 861 O GLU A 61 7.175 3.856 1.752 1.00 0.00 O ATOM 862 CB GLU A 61 8.217 6.069 2.941 1.00 0.00 C ATOM 863 CG GLU A 61 9.472 5.991 2.070 1.00 0.00 C ATOM 864 CD GLU A 61 10.014 7.392 1.810 1.00 0.00 C ATOM 865 OE1 GLU A 61 9.578 8.007 0.851 1.00 0.00 O ATOM 866 OE2 GLU A 61 10.858 7.831 2.575 1.00 0.00 O ATOM 0 H GLU A 61 5.338 7.473 2.420 1.00 0.00 H new ATOM 0 HA GLU A 61 7.219 6.964 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 61 8.292 6.909 3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.124 5.167 3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.231 5.385 2.565 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.239 5.501 1.125 1.00 0.00 H new ATOM 873 N ARG A 62 5.676 4.956 0.479 1.00 0.00 N ATOM 874 CA ARG A 62 5.199 3.758 -0.186 1.00 0.00 C ATOM 875 C ARG A 62 5.105 3.929 -1.696 1.00 0.00 C ATOM 876 O ARG A 62 5.628 3.120 -2.461 1.00 0.00 O ATOM 877 CB ARG A 62 3.816 3.411 0.361 1.00 0.00 C ATOM 878 CG ARG A 62 2.990 4.689 0.584 1.00 0.00 C ATOM 879 CD ARG A 62 1.869 4.759 -0.450 1.00 0.00 C ATOM 880 NE ARG A 62 0.901 3.693 -0.211 1.00 0.00 N ATOM 881 CZ ARG A 62 -0.185 3.564 -0.965 1.00 0.00 C ATOM 882 NH1 ARG A 62 -0.407 4.402 -1.940 1.00 0.00 N ATOM 883 NH2 ARG A 62 -1.030 2.598 -0.728 1.00 0.00 N ATOM 0 H ARG A 62 5.219 5.817 0.179 1.00 0.00 H new ATOM 0 HA ARG A 62 5.915 2.960 0.011 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.297 2.752 -0.336 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.916 2.867 1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.571 4.693 1.590 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.630 5.567 0.502 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.374 5.729 -0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.283 4.667 -1.454 1.00 0.00 H new ATOM 0 HE ARG A 62 1.062 3.034 0.550 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.254 5.157 -2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.241 4.302 -2.518 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.856 1.944 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.865 2.497 -1.306 1.00 0.00 H new ATOM 897 N VAL A 63 4.410 4.969 -2.108 1.00 0.00 N ATOM 898 CA VAL A 63 4.210 5.241 -3.524 1.00 0.00 C ATOM 899 C VAL A 63 5.499 5.039 -4.305 1.00 0.00 C ATOM 900 O VAL A 63 5.735 3.973 -4.872 1.00 0.00 O ATOM 901 CB VAL A 63 3.688 6.672 -3.713 1.00 0.00 C ATOM 902 CG1 VAL A 63 2.350 6.640 -4.461 1.00 0.00 C ATOM 903 CG2 VAL A 63 3.480 7.325 -2.343 1.00 0.00 C ATOM 0 H VAL A 63 3.971 5.645 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 63 3.471 4.539 -3.909 1.00 0.00 H new ATOM 0 HB VAL A 63 4.415 7.245 -4.289 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.983 7.658 -4.593 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.490 6.175 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.625 6.065 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.109 8.341 -2.477 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.755 6.747 -1.771 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.428 7.352 -1.805 1.00 0.00 H new ATOM 913 N LYS A 64 6.322 6.068 -4.323 1.00 0.00 N ATOM 914 CA LYS A 64 7.597 6.017 -5.040 1.00 0.00 C ATOM 915 C LYS A 64 7.507 5.060 -6.234 1.00 0.00 C ATOM 916 O LYS A 64 6.423 4.820 -6.767 1.00 0.00 O ATOM 917 CB LYS A 64 8.711 5.569 -4.086 1.00 0.00 C ATOM 918 CG LYS A 64 8.098 5.039 -2.789 1.00 0.00 C ATOM 919 CD LYS A 64 9.216 4.578 -1.853 1.00 0.00 C ATOM 920 CE LYS A 64 9.630 3.153 -2.222 1.00 0.00 C ATOM 921 NZ LYS A 64 8.462 2.242 -2.068 1.00 0.00 N ATOM 0 H LYS A 64 6.138 6.954 -3.852 1.00 0.00 H new ATOM 0 HA LYS A 64 7.827 7.014 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 64 9.316 4.794 -4.557 1.00 0.00 H new ATOM 0 HB3 LYS A 64 9.376 6.405 -3.870 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.504 5.817 -2.309 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.423 4.210 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.071 5.249 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.877 4.614 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.995 3.123 -3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 64 10.449 2.823 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.794 1.258 -2.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.949 2.480 -1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.827 2.351 -2.884 1.00 0.00 H new ATOM 935 N GLU A 65 8.650 4.519 -6.657 1.00 0.00 N ATOM 936 CA GLU A 65 8.675 3.594 -7.787 1.00 0.00 C ATOM 937 C GLU A 65 9.710 2.492 -7.557 1.00 0.00 C ATOM 938 O GLU A 65 10.808 2.525 -8.113 1.00 0.00 O ATOM 939 CB GLU A 65 9.005 4.350 -9.079 1.00 0.00 C ATOM 940 CG GLU A 65 8.028 3.931 -10.181 1.00 0.00 C ATOM 941 CD GLU A 65 8.653 4.172 -11.551 1.00 0.00 C ATOM 942 OE1 GLU A 65 9.841 3.933 -11.690 1.00 0.00 O ATOM 943 OE2 GLU A 65 7.933 4.594 -12.442 1.00 0.00 O ATOM 0 H GLU A 65 9.561 4.704 -6.238 1.00 0.00 H new ATOM 0 HA GLU A 65 7.690 3.137 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.940 5.425 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 65 10.029 4.137 -9.386 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.771 2.878 -10.070 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.101 4.497 -10.091 1.00 0.00 H new ATOM 950 N PRO A 66 9.375 1.522 -6.750 1.00 0.00 N ATOM 951 CA PRO A 66 10.273 0.384 -6.430 1.00 0.00 C ATOM 952 C PRO A 66 10.159 -0.746 -7.450 1.00 0.00 C ATOM 953 O PRO A 66 9.710 -0.538 -8.578 1.00 0.00 O ATOM 954 CB PRO A 66 9.777 -0.069 -5.058 1.00 0.00 C ATOM 955 CG PRO A 66 8.325 0.297 -5.011 1.00 0.00 C ATOM 956 CD PRO A 66 8.093 1.406 -6.046 1.00 0.00 C ATOM 0 HA PRO A 66 11.325 0.667 -6.445 1.00 0.00 H new ATOM 0 HB2 PRO A 66 9.915 -1.142 -4.927 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.331 0.424 -4.259 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.704 -0.571 -5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.048 0.640 -4.014 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.285 1.148 -6.731 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.816 2.345 -5.567 1.00 0.00 H new ATOM 964 N SER A 67 10.567 -1.942 -7.041 1.00 0.00 N ATOM 965 CA SER A 67 10.507 -3.108 -7.917 1.00 0.00 C ATOM 966 C SER A 67 10.966 -2.751 -9.328 1.00 0.00 C ATOM 967 O SER A 67 11.354 -1.614 -9.600 1.00 0.00 O ATOM 968 CB SER A 67 9.079 -3.650 -7.968 1.00 0.00 C ATOM 969 OG SER A 67 9.105 -5.063 -7.808 1.00 0.00 O ATOM 0 H SER A 67 10.942 -2.130 -6.111 1.00 0.00 H new ATOM 0 HA SER A 67 11.174 -3.871 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.477 -3.195 -7.182 1.00 0.00 H new ATOM 0 HB3 SER A 67 8.613 -3.389 -8.918 1.00 0.00 H new ATOM 0 HG SER A 67 8.190 -5.413 -7.839 1.00 0.00 H new ATOM 975 N GLN A 68 10.917 -3.733 -10.223 1.00 0.00 N ATOM 976 CA GLN A 68 11.325 -3.521 -11.608 1.00 0.00 C ATOM 977 C GLN A 68 10.365 -4.224 -12.561 1.00 0.00 C ATOM 978 O GLN A 68 9.178 -3.906 -12.610 1.00 0.00 O ATOM 979 CB GLN A 68 12.738 -4.064 -11.827 1.00 0.00 C ATOM 980 CG GLN A 68 13.216 -3.694 -13.233 1.00 0.00 C ATOM 981 CD GLN A 68 14.611 -3.082 -13.167 1.00 0.00 C ATOM 982 OE1 GLN A 68 14.935 -2.331 -12.151 1.00 0.00 O flip ATOM 983 NE2 GLN A 68 15.426 -3.295 -14.064 1.00 0.00 N flip ATOM 0 H GLN A 68 10.600 -4.680 -10.015 1.00 0.00 H new ATOM 0 HA GLN A 68 11.309 -2.450 -11.809 1.00 0.00 H new ATOM 0 HB2 GLN A 68 13.417 -3.652 -11.081 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.746 -5.147 -11.702 1.00 0.00 H new ATOM 0 HG2 GLN A 68 13.229 -4.581 -13.866 1.00 0.00 H new ATOM 0 HG3 GLN A 68 12.521 -2.988 -13.688 1.00 0.00 H new ATOM 0 HE21 GLN A 68 15.169 -3.883 -14.857 1.00 0.00 H new ATOM 0 HE22 GLN A 68 16.358 -2.884 -14.014 1.00 0.00 H new ATOM 992 N ASP A 69 10.890 -5.187 -13.311 1.00 0.00 N ATOM 993 CA ASP A 69 10.073 -5.937 -14.257 1.00 0.00 C ATOM 994 C ASP A 69 9.776 -7.324 -13.709 1.00 0.00 C ATOM 995 O ASP A 69 8.841 -7.996 -14.143 1.00 0.00 O ATOM 996 CB ASP A 69 10.799 -6.060 -15.596 1.00 0.00 C ATOM 997 CG ASP A 69 10.402 -4.907 -16.513 1.00 0.00 C ATOM 998 OD1 ASP A 69 9.291 -4.422 -16.375 1.00 0.00 O ATOM 999 OD2 ASP A 69 11.214 -4.527 -17.341 1.00 0.00 O ATOM 0 H ASP A 69 11.871 -5.465 -13.283 1.00 0.00 H new ATOM 0 HA ASP A 69 9.134 -5.403 -14.406 1.00 0.00 H new ATOM 0 HB2 ASP A 69 11.877 -6.054 -15.436 1.00 0.00 H new ATOM 0 HB3 ASP A 69 10.552 -7.012 -16.067 1.00 0.00 H new ATOM 1004 N THR A 70 10.583 -7.734 -12.748 1.00 0.00 N ATOM 1005 CA THR A 70 10.423 -9.039 -12.120 1.00 0.00 C ATOM 1006 C THR A 70 11.178 -9.086 -10.795 1.00 0.00 C ATOM 1007 O THR A 70 11.563 -8.050 -10.254 1.00 0.00 O ATOM 1008 CB THR A 70 10.948 -10.139 -13.050 1.00 0.00 C ATOM 1009 OG1 THR A 70 11.457 -9.548 -14.237 1.00 0.00 O ATOM 1010 CG2 THR A 70 9.813 -11.101 -13.404 1.00 0.00 C ATOM 0 H THR A 70 11.359 -7.183 -12.382 1.00 0.00 H new ATOM 0 HA THR A 70 9.362 -9.204 -11.931 1.00 0.00 H new ATOM 0 HB THR A 70 11.742 -10.691 -12.546 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.795 -10.249 -14.833 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.190 -11.881 -14.065 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.423 -11.555 -12.493 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.016 -10.554 -13.907 1.00 0.00 H new ATOM 1018 N VAL A 71 11.388 -10.292 -10.281 1.00 0.00 N ATOM 1019 CA VAL A 71 12.098 -10.459 -9.018 1.00 0.00 C ATOM 1020 C VAL A 71 12.663 -11.872 -8.907 1.00 0.00 C ATOM 1021 O VAL A 71 12.003 -12.844 -9.277 1.00 0.00 O ATOM 1022 CB VAL A 71 11.151 -10.190 -7.848 1.00 0.00 C ATOM 1023 CG1 VAL A 71 11.003 -8.681 -7.646 1.00 0.00 C ATOM 1024 CG2 VAL A 71 9.779 -10.799 -8.152 1.00 0.00 C ATOM 0 H VAL A 71 11.080 -11.162 -10.715 1.00 0.00 H new ATOM 0 HA VAL A 71 12.923 -9.747 -8.987 1.00 0.00 H new ATOM 0 HB VAL A 71 11.558 -10.640 -6.942 1.00 0.00 H new ATOM 0 HG11 VAL A 71 10.328 -8.490 -6.812 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.979 -8.245 -7.430 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.597 -8.231 -8.552 1.00 0.00 H new ATOM 0 HG21 VAL A 71 9.103 -10.608 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.374 -10.349 -9.058 1.00 0.00 H new ATOM 0 HG23 VAL A 71 9.882 -11.875 -8.296 1.00 0.00 H new ATOM 1034 N ALA A 72 13.885 -11.978 -8.394 1.00 0.00 N ATOM 1035 CA ALA A 72 14.526 -13.279 -8.240 1.00 0.00 C ATOM 1036 C ALA A 72 14.055 -13.958 -6.964 1.00 0.00 C ATOM 1037 O ALA A 72 13.877 -15.175 -6.918 1.00 0.00 O ATOM 1038 CB ALA A 72 16.046 -13.113 -8.199 1.00 0.00 C ATOM 0 H ALA A 72 14.447 -11.186 -8.081 1.00 0.00 H new ATOM 0 HA ALA A 72 14.252 -13.900 -9.093 1.00 0.00 H new ATOM 0 HB1 ALA A 72 16.516 -14.090 -8.084 1.00 0.00 H new ATOM 0 HB2 ALA A 72 16.387 -12.654 -9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.320 -12.477 -7.357 1.00 0.00 H new ATOM 1044 N THR A 73 13.855 -13.155 -5.936 1.00 0.00 N ATOM 1045 CA THR A 73 13.399 -13.669 -4.650 1.00 0.00 C ATOM 1046 C THR A 73 13.449 -12.582 -3.577 1.00 0.00 C ATOM 1047 O THR A 73 12.449 -11.916 -3.310 1.00 0.00 O ATOM 1048 CB THR A 73 14.272 -14.854 -4.219 1.00 0.00 C ATOM 1049 OG1 THR A 73 15.324 -15.033 -5.159 1.00 0.00 O ATOM 1050 CG2 THR A 73 13.422 -16.125 -4.153 1.00 0.00 C ATOM 0 H THR A 73 14.000 -12.146 -5.962 1.00 0.00 H new ATOM 0 HA THR A 73 12.366 -13.998 -4.764 1.00 0.00 H new ATOM 0 HB THR A 73 14.694 -14.653 -3.234 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.035 -15.655 -5.859 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.046 -16.965 -3.846 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.618 -15.988 -3.430 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.996 -16.329 -5.135 1.00 0.00 H new ATOM 1058 N GLU A 74 14.612 -12.422 -2.952 1.00 0.00 N ATOM 1059 CA GLU A 74 14.767 -11.429 -1.895 1.00 0.00 C ATOM 1060 C GLU A 74 15.635 -10.235 -2.320 1.00 0.00 C ATOM 1061 O GLU A 74 15.628 -9.207 -1.643 1.00 0.00 O ATOM 1062 CB GLU A 74 15.389 -12.088 -0.664 1.00 0.00 C ATOM 1063 CG GLU A 74 15.213 -11.173 0.551 1.00 0.00 C ATOM 1064 CD GLU A 74 16.573 -10.678 1.031 1.00 0.00 C ATOM 1065 OE1 GLU A 74 17.325 -10.182 0.208 1.00 0.00 O ATOM 1066 OE2 GLU A 74 16.843 -10.801 2.215 1.00 0.00 O ATOM 0 H GLU A 74 15.453 -12.962 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 74 13.772 -11.044 -1.670 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.917 -13.052 -0.477 1.00 0.00 H new ATOM 0 HB3 GLU A 74 16.448 -12.280 -0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.580 -10.325 0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.709 -11.712 1.353 1.00 0.00 H new ATOM 1073 N PRO A 75 16.383 -10.332 -3.394 1.00 0.00 N ATOM 1074 CA PRO A 75 17.258 -9.215 -3.848 1.00 0.00 C ATOM 1075 C PRO A 75 16.483 -8.135 -4.602 1.00 0.00 C ATOM 1076 O PRO A 75 15.722 -7.374 -4.005 1.00 0.00 O ATOM 1077 CB PRO A 75 18.277 -9.912 -4.749 1.00 0.00 C ATOM 1078 CG PRO A 75 17.558 -11.093 -5.314 1.00 0.00 C ATOM 1079 CD PRO A 75 16.488 -11.497 -4.293 1.00 0.00 C ATOM 0 HA PRO A 75 17.716 -8.681 -3.015 1.00 0.00 H new ATOM 0 HB2 PRO A 75 18.623 -9.247 -5.540 1.00 0.00 H new ATOM 0 HB3 PRO A 75 19.157 -10.220 -4.184 1.00 0.00 H new ATOM 0 HG2 PRO A 75 17.102 -10.845 -6.272 1.00 0.00 H new ATOM 0 HG3 PRO A 75 18.250 -11.916 -5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 75 15.536 -11.712 -4.778 1.00 0.00 H new ATOM 0 HD3 PRO A 75 16.778 -12.395 -3.748 1.00 0.00 H new ATOM 1087 N SER A 76 16.681 -8.073 -5.912 1.00 0.00 N ATOM 1088 CA SER A 76 15.995 -7.083 -6.734 1.00 0.00 C ATOM 1089 C SER A 76 15.842 -5.767 -5.982 1.00 0.00 C ATOM 1090 O SER A 76 16.668 -4.864 -6.109 1.00 0.00 O ATOM 1091 CB SER A 76 14.618 -7.612 -7.142 1.00 0.00 C ATOM 1092 OG SER A 76 14.587 -7.797 -8.551 1.00 0.00 O ATOM 0 H SER A 76 17.307 -8.692 -6.427 1.00 0.00 H new ATOM 0 HA SER A 76 16.593 -6.902 -7.627 1.00 0.00 H new ATOM 0 HB2 SER A 76 14.412 -8.555 -6.635 1.00 0.00 H new ATOM 0 HB3 SER A 76 13.841 -6.911 -6.838 1.00 0.00 H new ATOM 0 HG SER A 76 13.673 -7.664 -8.878 1.00 0.00 H new ATOM 1098 N GLU A 77 14.773 -5.674 -5.211 1.00 0.00 N ATOM 1099 CA GLU A 77 14.484 -4.472 -4.433 1.00 0.00 C ATOM 1100 C GLU A 77 15.741 -3.649 -4.208 1.00 0.00 C ATOM 1101 O GLU A 77 15.821 -2.486 -4.603 1.00 0.00 O ATOM 1102 CB GLU A 77 13.874 -4.856 -3.084 1.00 0.00 C ATOM 1103 CG GLU A 77 12.363 -5.036 -3.240 1.00 0.00 C ATOM 1104 CD GLU A 77 12.070 -6.210 -4.167 1.00 0.00 C ATOM 1105 OE1 GLU A 77 12.855 -7.144 -4.175 1.00 0.00 O ATOM 1106 OE2 GLU A 77 11.065 -6.159 -4.857 1.00 0.00 O ATOM 0 H GLU A 77 14.084 -6.419 -5.104 1.00 0.00 H new ATOM 0 HA GLU A 77 13.773 -3.868 -4.997 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.325 -5.778 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 77 14.084 -4.083 -2.345 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.907 -5.209 -2.265 1.00 0.00 H new ATOM 0 HG3 GLU A 77 11.920 -4.125 -3.642 1.00 0.00 H new ATOM 1113 N VAL A 78 16.713 -4.263 -3.566 1.00 0.00 N ATOM 1114 CA VAL A 78 17.974 -3.590 -3.276 1.00 0.00 C ATOM 1115 C VAL A 78 18.855 -3.537 -4.522 1.00 0.00 C ATOM 1116 O VAL A 78 18.363 -3.341 -5.632 1.00 0.00 O ATOM 1117 CB VAL A 78 18.715 -4.313 -2.148 1.00 0.00 C ATOM 1118 CG1 VAL A 78 19.845 -3.420 -1.628 1.00 0.00 C ATOM 1119 CG2 VAL A 78 17.743 -4.612 -1.001 1.00 0.00 C ATOM 0 H VAL A 78 16.660 -5.226 -3.233 1.00 0.00 H new ATOM 0 HA VAL A 78 17.751 -2.571 -2.961 1.00 0.00 H new ATOM 0 HB VAL A 78 19.128 -5.247 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 78 20.374 -3.933 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 78 20.540 -3.203 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 78 19.427 -2.487 -1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 78 18.273 -5.127 -0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 78 17.330 -3.678 -0.621 1.00 0.00 H new ATOM 0 HG23 VAL A 78 16.934 -5.245 -1.365 1.00 0.00 H new ATOM 1129 N GLU A 79 20.160 -3.711 -4.329 1.00 0.00 N ATOM 1130 CA GLU A 79 21.096 -3.675 -5.446 1.00 0.00 C ATOM 1131 C GLU A 79 22.230 -4.672 -5.231 1.00 0.00 C ATOM 1132 O GLU A 79 22.048 -5.879 -5.393 1.00 0.00 O ATOM 1133 CB GLU A 79 21.674 -2.265 -5.601 1.00 0.00 C ATOM 1134 CG GLU A 79 20.577 -1.309 -6.075 1.00 0.00 C ATOM 1135 CD GLU A 79 21.198 0.003 -6.546 1.00 0.00 C ATOM 1136 OE1 GLU A 79 22.386 0.007 -6.826 1.00 0.00 O ATOM 1137 OE2 GLU A 79 20.478 0.985 -6.617 1.00 0.00 O ATOM 0 H GLU A 79 20.589 -3.877 -3.419 1.00 0.00 H new ATOM 0 HA GLU A 79 20.557 -3.948 -6.353 1.00 0.00 H new ATOM 0 HB2 GLU A 79 22.083 -1.922 -4.651 1.00 0.00 H new ATOM 0 HB3 GLU A 79 22.496 -2.275 -6.317 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.011 -1.765 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.874 -1.118 -5.264 1.00 0.00 H new ATOM 1144 N GLY A 80 23.403 -4.160 -4.867 1.00 0.00 N ATOM 1145 CA GLY A 80 24.561 -5.017 -4.636 1.00 0.00 C ATOM 1146 C GLY A 80 25.316 -4.593 -3.379 1.00 0.00 C ATOM 1147 O GLY A 80 24.710 -4.185 -2.389 1.00 0.00 O ATOM 0 H GLY A 80 23.576 -3.165 -4.727 1.00 0.00 H new ATOM 0 HA2 GLY A 80 24.237 -6.053 -4.537 1.00 0.00 H new ATOM 0 HA3 GLY A 80 25.228 -4.972 -5.497 1.00 0.00 H new ATOM 1151 N SER A 81 26.641 -4.697 -3.427 1.00 0.00 N ATOM 1152 CA SER A 81 27.468 -4.323 -2.285 1.00 0.00 C ATOM 1153 C SER A 81 28.755 -3.648 -2.751 1.00 0.00 C ATOM 1154 O SER A 81 29.013 -3.544 -3.950 1.00 0.00 O ATOM 1155 CB SER A 81 27.814 -5.566 -1.463 1.00 0.00 C ATOM 1156 OG SER A 81 26.622 -6.282 -1.169 1.00 0.00 O ATOM 0 H SER A 81 27.161 -5.034 -4.237 1.00 0.00 H new ATOM 0 HA SER A 81 26.906 -3.622 -1.668 1.00 0.00 H new ATOM 0 HB2 SER A 81 28.506 -6.201 -2.016 1.00 0.00 H new ATOM 0 HB3 SER A 81 28.315 -5.277 -0.539 1.00 0.00 H new ATOM 0 HG SER A 81 26.841 -7.080 -0.644 1.00 0.00 H new ATOM 1162 N ALA A 82 29.557 -3.190 -1.794 1.00 0.00 N ATOM 1163 CA ALA A 82 30.813 -2.527 -2.113 1.00 0.00 C ATOM 1164 C ALA A 82 31.565 -3.287 -3.201 1.00 0.00 C ATOM 1165 O ALA A 82 31.932 -4.447 -3.019 1.00 0.00 O ATOM 1166 CB ALA A 82 31.678 -2.439 -0.856 1.00 0.00 C ATOM 0 H ALA A 82 29.359 -3.266 -0.796 1.00 0.00 H new ATOM 0 HA ALA A 82 30.594 -1.524 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 82 32.618 -1.942 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 82 31.151 -1.869 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 82 31.882 -3.443 -0.484 1.00 0.00 H new ATOM 1172 N ALA A 83 31.792 -2.623 -4.329 1.00 0.00 N ATOM 1173 CA ALA A 83 32.502 -3.245 -5.439 1.00 0.00 C ATOM 1174 C ALA A 83 31.956 -4.644 -5.710 1.00 0.00 C ATOM 1175 O ALA A 83 30.786 -4.924 -5.451 1.00 0.00 O ATOM 1176 CB ALA A 83 33.995 -3.333 -5.119 1.00 0.00 C ATOM 0 H ALA A 83 31.497 -1.661 -4.498 1.00 0.00 H new ATOM 0 HA ALA A 83 32.355 -2.632 -6.328 1.00 0.00 H new ATOM 0 HB1 ALA A 83 34.519 -3.799 -5.953 1.00 0.00 H new ATOM 0 HB2 ALA A 83 34.392 -2.331 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 83 34.140 -3.932 -4.220 1.00 0.00 H new ATOM 1182 N ASN A 84 32.810 -5.516 -6.231 1.00 0.00 N ATOM 1183 CA ASN A 84 32.399 -6.882 -6.533 1.00 0.00 C ATOM 1184 C ASN A 84 33.321 -7.884 -5.848 1.00 0.00 C ATOM 1185 O ASN A 84 33.377 -9.054 -6.228 1.00 0.00 O ATOM 1186 CB ASN A 84 32.419 -7.112 -8.046 1.00 0.00 C ATOM 1187 CG ASN A 84 31.140 -6.563 -8.669 1.00 0.00 C ATOM 1188 OD1 ASN A 84 30.271 -6.056 -7.959 1.00 0.00 O ATOM 1189 ND2 ASN A 84 30.971 -6.634 -9.961 1.00 0.00 N ATOM 0 H ASN A 84 33.783 -5.305 -6.452 1.00 0.00 H new ATOM 0 HA ASN A 84 31.386 -7.027 -6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 84 33.288 -6.623 -8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 84 32.511 -8.177 -8.260 1.00 0.00 H new ATOM 0 HD21 ASN A 84 30.118 -6.269 -10.385 1.00 0.00 H new ATOM 0 HD22 ASN A 84 31.692 -7.054 -10.547 1.00 0.00 H new ATOM 1196 N LYS A 85 34.041 -7.418 -4.832 1.00 0.00 N ATOM 1197 CA LYS A 85 34.955 -8.284 -4.097 1.00 0.00 C ATOM 1198 C LYS A 85 34.182 -9.371 -3.362 1.00 0.00 C ATOM 1199 O LYS A 85 32.962 -9.296 -3.226 1.00 0.00 O ATOM 1200 CB LYS A 85 35.762 -7.466 -3.087 1.00 0.00 C ATOM 1201 CG LYS A 85 37.244 -7.835 -3.190 1.00 0.00 C ATOM 1202 CD LYS A 85 38.005 -7.214 -2.015 1.00 0.00 C ATOM 1203 CE LYS A 85 39.379 -7.878 -1.882 1.00 0.00 C ATOM 1204 NZ LYS A 85 39.497 -8.502 -0.533 1.00 0.00 N ATOM 0 H LYS A 85 34.010 -6.454 -4.501 1.00 0.00 H new ATOM 0 HA LYS A 85 35.634 -8.748 -4.812 1.00 0.00 H new ATOM 0 HB2 LYS A 85 35.628 -6.401 -3.278 1.00 0.00 H new ATOM 0 HB3 LYS A 85 35.399 -7.657 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 85 37.362 -8.919 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 85 37.655 -7.477 -4.134 1.00 0.00 H new ATOM 0 HD2 LYS A 85 38.122 -6.142 -2.171 1.00 0.00 H new ATOM 0 HD3 LYS A 85 37.438 -7.342 -1.093 1.00 0.00 H new ATOM 0 HE2 LYS A 85 39.507 -8.634 -2.657 1.00 0.00 H new ATOM 0 HE3 LYS A 85 40.168 -7.139 -2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 40.429 -8.954 -0.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 39.392 -7.770 0.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 38.752 -9.218 -0.415 1.00 0.00 H new ATOM 1218 N GLU A 86 34.909 -10.375 -2.884 1.00 0.00 N ATOM 1219 CA GLU A 86 34.299 -11.483 -2.154 1.00 0.00 C ATOM 1220 C GLU A 86 35.353 -12.508 -1.754 1.00 0.00 C ATOM 1221 O GLU A 86 35.188 -13.237 -0.777 1.00 0.00 O ATOM 1222 CB GLU A 86 33.228 -12.165 -3.013 1.00 0.00 C ATOM 1223 CG GLU A 86 32.426 -13.139 -2.148 1.00 0.00 C ATOM 1224 CD GLU A 86 31.155 -12.463 -1.643 1.00 0.00 C ATOM 1225 OE1 GLU A 86 30.403 -11.966 -2.466 1.00 0.00 O ATOM 1226 OE2 GLU A 86 30.951 -12.452 -0.440 1.00 0.00 O ATOM 0 H GLU A 86 35.921 -10.445 -2.988 1.00 0.00 H new ATOM 0 HA GLU A 86 33.836 -11.078 -1.254 1.00 0.00 H new ATOM 0 HB2 GLU A 86 32.565 -11.417 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 86 33.695 -12.697 -3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 86 32.170 -14.027 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 86 33.031 -13.472 -1.304 1.00 0.00 H new ATOM 1233 N VAL A 87 36.430 -12.559 -2.522 1.00 0.00 N ATOM 1234 CA VAL A 87 37.513 -13.500 -2.254 1.00 0.00 C ATOM 1235 C VAL A 87 38.765 -12.766 -1.788 1.00 0.00 C ATOM 1236 O VAL A 87 38.983 -11.603 -2.132 1.00 0.00 O ATOM 1237 CB VAL A 87 37.835 -14.294 -3.521 1.00 0.00 C ATOM 1238 CG1 VAL A 87 38.331 -15.690 -3.139 1.00 0.00 C ATOM 1239 CG2 VAL A 87 36.575 -14.417 -4.378 1.00 0.00 C ATOM 0 H VAL A 87 36.580 -11.962 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 87 37.189 -14.178 -1.465 1.00 0.00 H new ATOM 0 HB VAL A 87 38.611 -13.777 -4.086 1.00 0.00 H new ATOM 0 HG11 VAL A 87 38.560 -16.255 -4.043 1.00 0.00 H new ATOM 0 HG12 VAL A 87 39.230 -15.602 -2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 87 37.557 -16.209 -2.573 1.00 0.00 H new ATOM 0 HG21 VAL A 87 36.803 -14.983 -5.281 1.00 0.00 H new ATOM 0 HG22 VAL A 87 35.799 -14.934 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 87 36.223 -13.423 -4.652 1.00 0.00 H new ATOM 1249 N LEU A 88 39.590 -13.460 -1.012 1.00 0.00 N ATOM 1250 CA LEU A 88 40.826 -12.876 -0.512 1.00 0.00 C ATOM 1251 C LEU A 88 41.752 -12.551 -1.667 1.00 0.00 C ATOM 1252 O LEU A 88 42.507 -11.578 -1.637 1.00 0.00 O ATOM 1253 CB LEU A 88 41.515 -13.855 0.421 1.00 0.00 C ATOM 1254 CG LEU A 88 41.080 -13.554 1.846 1.00 0.00 C ATOM 1255 CD1 LEU A 88 41.722 -12.247 2.315 1.00 0.00 C ATOM 1256 CD2 LEU A 88 39.557 -13.424 1.897 1.00 0.00 C ATOM 0 H LEU A 88 39.425 -14.423 -0.717 1.00 0.00 H new ATOM 0 HA LEU A 88 40.588 -11.960 0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 88 41.255 -14.879 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 88 42.598 -13.767 0.329 1.00 0.00 H new ATOM 0 HG LEU A 88 41.398 -14.366 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 88 41.408 -12.034 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 88 42.807 -12.342 2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 88 41.408 -11.433 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 88 39.244 -13.208 2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 88 39.239 -12.614 1.241 1.00 0.00 H new ATOM 0 HD23 LEU A 88 39.101 -14.358 1.568 1.00 0.00 H new ATOM 1268 N ALA A 89 41.671 -13.386 -2.681 1.00 0.00 N ATOM 1269 CA ALA A 89 42.481 -13.228 -3.874 1.00 0.00 C ATOM 1270 C ALA A 89 43.951 -13.465 -3.559 1.00 0.00 C ATOM 1271 O ALA A 89 44.311 -13.760 -2.419 1.00 0.00 O ATOM 1272 CB ALA A 89 42.286 -11.827 -4.438 1.00 0.00 C ATOM 0 H ALA A 89 41.045 -14.191 -2.704 1.00 0.00 H new ATOM 0 HA ALA A 89 42.167 -13.964 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 89 42.894 -11.708 -5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 89 41.236 -11.679 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 89 42.588 -11.090 -3.694 1.00 0.00 H new ATOM 1278 N LYS A 90 44.799 -13.341 -4.574 1.00 0.00 N ATOM 1279 CA LYS A 90 46.227 -13.555 -4.388 1.00 0.00 C ATOM 1280 C LYS A 90 47.028 -12.348 -4.868 1.00 0.00 C ATOM 1281 O LYS A 90 47.388 -11.482 -4.070 1.00 0.00 O ATOM 1282 CB LYS A 90 46.663 -14.811 -5.148 1.00 0.00 C ATOM 1283 CG LYS A 90 47.686 -15.583 -4.313 1.00 0.00 C ATOM 1284 CD LYS A 90 46.959 -16.425 -3.261 1.00 0.00 C ATOM 1285 CE LYS A 90 46.174 -17.546 -3.949 1.00 0.00 C ATOM 1286 NZ LYS A 90 46.610 -18.863 -3.405 1.00 0.00 N ATOM 0 H LYS A 90 44.525 -13.096 -5.525 1.00 0.00 H new ATOM 0 HA LYS A 90 46.421 -13.689 -3.324 1.00 0.00 H new ATOM 0 HB2 LYS A 90 45.798 -15.441 -5.357 1.00 0.00 H new ATOM 0 HB3 LYS A 90 47.096 -14.535 -6.109 1.00 0.00 H new ATOM 0 HG2 LYS A 90 48.286 -16.226 -4.957 1.00 0.00 H new ATOM 0 HG3 LYS A 90 48.372 -14.889 -3.827 1.00 0.00 H new ATOM 0 HD2 LYS A 90 47.678 -16.849 -2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 90 46.282 -15.796 -2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 90 45.105 -17.409 -3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 90 46.339 -17.512 -5.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 46.078 -19.625 -3.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 47.627 -18.992 -3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 46.431 -18.892 -2.381 1.00 0.00 H new ATOM 1300 N VAL A 91 47.304 -12.300 -6.172 1.00 0.00 N ATOM 1301 CA VAL A 91 48.067 -11.199 -6.754 1.00 0.00 C ATOM 1302 C VAL A 91 48.858 -10.461 -5.680 1.00 0.00 C ATOM 1303 O VAL A 91 48.746 -9.243 -5.540 1.00 0.00 O ATOM 1304 CB VAL A 91 47.127 -10.223 -7.463 1.00 0.00 C ATOM 1305 CG1 VAL A 91 46.060 -9.734 -6.483 1.00 0.00 C ATOM 1306 CG2 VAL A 91 47.928 -9.025 -7.978 1.00 0.00 C ATOM 0 H VAL A 91 47.010 -13.010 -6.843 1.00 0.00 H new ATOM 0 HA VAL A 91 48.767 -11.616 -7.478 1.00 0.00 H new ATOM 0 HB VAL A 91 46.647 -10.729 -8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 91 45.391 -9.039 -6.990 1.00 0.00 H new ATOM 0 HG12 VAL A 91 45.487 -10.585 -6.115 1.00 0.00 H new ATOM 0 HG13 VAL A 91 46.540 -9.229 -5.645 1.00 0.00 H new ATOM 0 HG21 VAL A 91 47.258 -8.329 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 91 48.409 -8.521 -7.139 1.00 0.00 H new ATOM 0 HG23 VAL A 91 48.689 -9.370 -8.679 1.00 0.00 H new ATOM 1316 N ILE A 92 49.655 -11.208 -4.924 1.00 0.00 N ATOM 1317 CA ILE A 92 50.457 -10.618 -3.862 1.00 0.00 C ATOM 1318 C ILE A 92 49.567 -9.993 -2.800 1.00 0.00 C ATOM 1319 O ILE A 92 48.737 -10.672 -2.197 1.00 0.00 O ATOM 1320 CB ILE A 92 51.396 -9.567 -4.447 1.00 0.00 C ATOM 1321 CG1 ILE A 92 52.099 -10.155 -5.672 1.00 0.00 C ATOM 1322 CG2 ILE A 92 52.438 -9.173 -3.398 1.00 0.00 C ATOM 1323 CD1 ILE A 92 53.174 -9.187 -6.156 1.00 0.00 C ATOM 0 H ILE A 92 49.762 -12.217 -5.027 1.00 0.00 H new ATOM 0 HA ILE A 92 51.047 -11.405 -3.393 1.00 0.00 H new ATOM 0 HB ILE A 92 50.827 -8.684 -4.737 1.00 0.00 H new ATOM 0 HG12 ILE A 92 52.547 -11.116 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 92 51.376 -10.338 -6.466 1.00 0.00 H new ATOM 0 HG21 ILE A 92 53.109 -8.422 -3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 92 51.935 -8.763 -2.522 1.00 0.00 H new ATOM 0 HG23 ILE A 92 53.013 -10.052 -3.108 1.00 0.00 H new ATOM 0 HD11 ILE A 92 53.675 -9.606 -7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 92 52.713 -8.236 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 92 53.903 -9.026 -5.362 1.00 0.00 H new ATOM 1335 N ASP A 93 49.756 -8.702 -2.566 1.00 0.00 N ATOM 1336 CA ASP A 93 48.983 -7.996 -1.573 1.00 0.00 C ATOM 1337 C ASP A 93 49.636 -8.166 -0.211 1.00 0.00 C ATOM 1338 O ASP A 93 49.581 -9.234 0.397 1.00 0.00 O ATOM 1339 CB ASP A 93 47.540 -8.500 -1.572 1.00 0.00 C ATOM 1340 CG ASP A 93 47.292 -9.443 -0.399 1.00 0.00 C ATOM 1341 OD1 ASP A 93 47.266 -8.966 0.723 1.00 0.00 O ATOM 1342 OD2 ASP A 93 47.134 -10.630 -0.640 1.00 0.00 O ATOM 0 H ASP A 93 50.442 -8.127 -3.056 1.00 0.00 H new ATOM 0 HA ASP A 93 48.959 -6.933 -1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 93 46.855 -7.654 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 93 47.330 -9.016 -2.509 1.00 0.00 H new ATOM 1347 N LEU A 94 50.291 -7.109 0.239 1.00 0.00 N ATOM 1348 CA LEU A 94 50.997 -7.145 1.504 1.00 0.00 C ATOM 1349 C LEU A 94 50.683 -5.914 2.339 1.00 0.00 C ATOM 1350 O LEU A 94 50.037 -5.998 3.384 1.00 0.00 O ATOM 1351 CB LEU A 94 52.496 -7.211 1.222 1.00 0.00 C ATOM 1352 CG LEU A 94 52.896 -8.651 0.900 1.00 0.00 C ATOM 1353 CD1 LEU A 94 53.863 -8.657 -0.285 1.00 0.00 C ATOM 1354 CD2 LEU A 94 53.581 -9.273 2.118 1.00 0.00 C ATOM 0 H LEU A 94 50.347 -6.218 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 94 50.678 -8.022 2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 94 52.748 -6.558 0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 94 53.055 -6.853 2.087 1.00 0.00 H new ATOM 0 HG LEU A 94 52.007 -9.228 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 94 54.149 -9.683 -0.516 1.00 0.00 H new ATOM 0 HD12 LEU A 94 53.377 -8.212 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 94 54.753 -8.080 -0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 94 53.867 -10.300 1.890 1.00 0.00 H new ATOM 0 HD22 LEU A 94 54.471 -8.696 2.369 1.00 0.00 H new ATOM 0 HD23 LEU A 94 52.894 -9.267 2.964 1.00 0.00 H new ATOM 1366 N THR A 95 51.156 -4.779 1.865 1.00 0.00 N ATOM 1367 CA THR A 95 50.944 -3.513 2.558 1.00 0.00 C ATOM 1368 C THR A 95 49.498 -3.048 2.417 1.00 0.00 C ATOM 1369 O THR A 95 49.178 -1.895 2.705 1.00 0.00 O ATOM 1370 CB THR A 95 51.879 -2.448 1.982 1.00 0.00 C ATOM 1371 OG1 THR A 95 51.118 -1.313 1.595 1.00 0.00 O ATOM 1372 CG2 THR A 95 52.608 -3.016 0.763 1.00 0.00 C ATOM 0 H THR A 95 51.692 -4.702 1.001 1.00 0.00 H new ATOM 0 HA THR A 95 51.159 -3.662 3.616 1.00 0.00 H new ATOM 0 HB THR A 95 52.609 -2.156 2.737 1.00 0.00 H new ATOM 0 HG1 THR A 95 50.565 -1.018 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 95 53.275 -2.258 0.352 1.00 0.00 H new ATOM 0 HG22 THR A 95 53.190 -3.888 1.061 1.00 0.00 H new ATOM 0 HG23 THR A 95 51.879 -3.307 0.006 1.00 0.00 H new ATOM 1380 N HIS A 96 48.626 -3.949 1.972 1.00 0.00 N ATOM 1381 CA HIS A 96 47.218 -3.608 1.799 1.00 0.00 C ATOM 1382 C HIS A 96 46.514 -3.523 3.150 1.00 0.00 C ATOM 1383 O HIS A 96 46.945 -4.137 4.126 1.00 0.00 O ATOM 1384 CB HIS A 96 46.527 -4.653 0.919 1.00 0.00 C ATOM 1385 CG HIS A 96 46.344 -5.930 1.694 1.00 0.00 C ATOM 1386 ND1 HIS A 96 47.009 -6.451 2.777 1.00 0.00 N flip ATOM 1387 CD2 HIS A 96 45.368 -6.858 1.369 1.00 0.00 C flip ATOM 1388 CE1 HIS A 96 46.455 -7.681 3.119 1.00 0.00 C flip ATOM 1389 NE2 HIS A 96 45.470 -7.878 2.239 1.00 0.00 N flip ATOM 0 H HIS A 96 48.866 -4.910 1.727 1.00 0.00 H new ATOM 0 HA HIS A 96 47.159 -2.634 1.313 1.00 0.00 H new ATOM 0 HB2 HIS A 96 45.560 -4.278 0.584 1.00 0.00 H new ATOM 0 HB3 HIS A 96 47.123 -4.841 0.026 1.00 0.00 H new ATOM 0 HD1 HIS A 96 47.790 -6.004 3.257 1.00 0.00 H new ATOM 0 HD2 HIS A 96 44.654 -6.777 0.563 1.00 0.00 H new ATOM 0 HE1 HIS A 96 46.757 -8.336 3.923 1.00 0.00 H new ATOM 1397 N ASP A 97 45.432 -2.751 3.199 1.00 0.00 N ATOM 1398 CA ASP A 97 44.676 -2.584 4.438 1.00 0.00 C ATOM 1399 C ASP A 97 43.464 -3.511 4.462 1.00 0.00 C ATOM 1400 O ASP A 97 42.495 -3.301 3.734 1.00 0.00 O ATOM 1401 CB ASP A 97 44.212 -1.132 4.572 1.00 0.00 C ATOM 1402 CG ASP A 97 44.397 -0.402 3.246 1.00 0.00 C ATOM 1403 OD1 ASP A 97 45.534 -0.241 2.835 1.00 0.00 O ATOM 1404 OD2 ASP A 97 43.399 -0.016 2.661 1.00 0.00 O ATOM 0 H ASP A 97 45.060 -2.234 2.402 1.00 0.00 H new ATOM 0 HA ASP A 97 45.327 -2.839 5.274 1.00 0.00 H new ATOM 0 HB2 ASP A 97 43.164 -1.102 4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 97 44.780 -0.631 5.355 1.00 0.00 H new ATOM 1409 N ASN A 98 43.528 -4.534 5.306 1.00 0.00 N ATOM 1410 CA ASN A 98 42.431 -5.487 5.421 1.00 0.00 C ATOM 1411 C ASN A 98 42.790 -6.596 6.402 1.00 0.00 C ATOM 1412 O ASN A 98 41.919 -7.295 6.918 1.00 0.00 O ATOM 1413 CB ASN A 98 42.122 -6.090 4.051 1.00 0.00 C ATOM 1414 CG ASN A 98 40.686 -5.764 3.646 1.00 0.00 C ATOM 1415 OD1 ASN A 98 39.870 -6.668 3.464 1.00 0.00 O ATOM 1416 ND2 ASN A 98 40.330 -4.517 3.496 1.00 0.00 N ATOM 0 H ASN A 98 44.322 -4.724 5.917 1.00 0.00 H new ATOM 0 HA ASN A 98 41.551 -4.962 5.792 1.00 0.00 H new ATOM 0 HB2 ASN A 98 42.816 -5.698 3.307 1.00 0.00 H new ATOM 0 HB3 ASN A 98 42.264 -7.170 4.080 1.00 0.00 H new ATOM 0 HD21 ASN A 98 39.373 -4.289 3.227 1.00 0.00 H new ATOM 0 HD22 ASN A 98 41.009 -3.771 3.648 1.00 0.00 H new ATOM 1423 N LYS A 99 44.081 -6.743 6.651 1.00 0.00 N ATOM 1424 CA LYS A 99 44.563 -7.765 7.572 1.00 0.00 C ATOM 1425 C LYS A 99 44.279 -7.363 9.010 1.00 0.00 C ATOM 1426 O LYS A 99 43.334 -7.847 9.632 1.00 0.00 O ATOM 1427 CB LYS A 99 46.067 -7.980 7.387 1.00 0.00 C ATOM 1428 CG LYS A 99 46.719 -6.683 6.904 1.00 0.00 C ATOM 1429 CD LYS A 99 48.121 -6.564 7.504 1.00 0.00 C ATOM 1430 CE LYS A 99 48.875 -5.426 6.815 1.00 0.00 C ATOM 1431 NZ LYS A 99 48.537 -4.134 7.476 1.00 0.00 N ATOM 0 H LYS A 99 44.814 -6.171 6.231 1.00 0.00 H new ATOM 0 HA LYS A 99 44.039 -8.695 7.354 1.00 0.00 H new ATOM 0 HB2 LYS A 99 46.517 -8.296 8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 99 46.244 -8.778 6.665 1.00 0.00 H new ATOM 0 HG2 LYS A 99 46.776 -6.675 5.815 1.00 0.00 H new ATOM 0 HG3 LYS A 99 46.112 -5.827 7.198 1.00 0.00 H new ATOM 0 HD2 LYS A 99 48.055 -6.375 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 99 48.663 -7.502 7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 99 49.949 -5.603 6.867 1.00 0.00 H new ATOM 0 HE3 LYS A 99 48.609 -5.387 5.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 48.215 -3.451 6.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 47.780 -4.288 8.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 49.379 -3.760 7.958 1.00 0.00 H new ATOM 1445 N ASP A 100 45.105 -6.476 9.527 1.00 0.00 N ATOM 1446 CA ASP A 100 44.944 -6.004 10.898 1.00 0.00 C ATOM 1447 C ASP A 100 43.518 -5.515 11.126 1.00 0.00 C ATOM 1448 O ASP A 100 43.074 -5.377 12.266 1.00 0.00 O ATOM 1449 CB ASP A 100 45.927 -4.869 11.181 1.00 0.00 C ATOM 1450 CG ASP A 100 45.786 -3.781 10.123 1.00 0.00 C ATOM 1451 OD1 ASP A 100 44.736 -3.160 10.077 1.00 0.00 O ATOM 1452 OD2 ASP A 100 46.729 -3.584 9.375 1.00 0.00 O ATOM 0 H ASP A 100 45.893 -6.066 9.026 1.00 0.00 H new ATOM 0 HA ASP A 100 45.147 -6.833 11.576 1.00 0.00 H new ATOM 0 HB2 ASP A 100 45.739 -4.452 12.170 1.00 0.00 H new ATOM 0 HB3 ASP A 100 46.947 -5.253 11.186 1.00 0.00 H new ATOM 1457 N ASP A 101 42.804 -5.252 10.035 1.00 0.00 N ATOM 1458 CA ASP A 101 41.428 -4.778 10.132 1.00 0.00 C ATOM 1459 C ASP A 101 40.552 -5.819 10.821 1.00 0.00 C ATOM 1460 O ASP A 101 39.945 -5.546 11.857 1.00 0.00 O ATOM 1461 CB ASP A 101 40.877 -4.488 8.734 1.00 0.00 C ATOM 1462 CG ASP A 101 39.898 -3.320 8.793 1.00 0.00 C ATOM 1463 OD1 ASP A 101 38.733 -3.563 9.057 1.00 0.00 O ATOM 1464 OD2 ASP A 101 40.329 -2.200 8.574 1.00 0.00 O ATOM 0 H ASP A 101 43.152 -5.358 9.082 1.00 0.00 H new ATOM 0 HA ASP A 101 41.418 -3.862 10.723 1.00 0.00 H new ATOM 0 HB2 ASP A 101 41.695 -4.254 8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 101 40.377 -5.373 8.340 1.00 0.00 H new ATOM 1469 N LEU A 102 40.496 -7.015 10.244 1.00 0.00 N ATOM 1470 CA LEU A 102 39.696 -8.092 10.818 1.00 0.00 C ATOM 1471 C LEU A 102 40.398 -8.698 12.013 1.00 0.00 C ATOM 1472 O LEU A 102 39.759 -9.179 12.928 1.00 0.00 O ATOM 1473 CB LEU A 102 39.472 -9.207 9.797 1.00 0.00 C ATOM 1474 CG LEU A 102 40.822 -9.617 9.194 1.00 0.00 C ATOM 1475 CD1 LEU A 102 41.556 -10.588 10.133 1.00 0.00 C ATOM 1476 CD2 LEU A 102 40.593 -10.297 7.847 1.00 0.00 C ATOM 0 H LEU A 102 40.990 -7.262 9.387 1.00 0.00 H new ATOM 0 HA LEU A 102 38.741 -7.660 11.117 1.00 0.00 H new ATOM 0 HB2 LEU A 102 38.998 -10.064 10.275 1.00 0.00 H new ATOM 0 HB3 LEU A 102 38.797 -8.867 9.011 1.00 0.00 H new ATOM 0 HG LEU A 102 41.432 -8.723 9.060 1.00 0.00 H new ATOM 0 HD11 LEU A 102 42.512 -10.869 9.691 1.00 0.00 H new ATOM 0 HD12 LEU A 102 41.729 -10.104 11.094 1.00 0.00 H new ATOM 0 HD13 LEU A 102 40.948 -11.481 10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 102 41.552 -10.588 7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 102 39.974 -11.183 7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 102 40.089 -9.606 7.172 1.00 0.00 H new ATOM 1488 N GLN A 103 41.717 -8.690 11.986 1.00 0.00 N ATOM 1489 CA GLN A 103 42.488 -9.268 13.073 1.00 0.00 C ATOM 1490 C GLN A 103 42.234 -8.489 14.340 1.00 0.00 C ATOM 1491 O GLN A 103 42.105 -9.048 15.431 1.00 0.00 O ATOM 1492 CB GLN A 103 43.970 -9.228 12.713 1.00 0.00 C ATOM 1493 CG GLN A 103 44.579 -10.623 12.863 1.00 0.00 C ATOM 1494 CD GLN A 103 46.088 -10.514 13.051 1.00 0.00 C ATOM 1495 OE1 GLN A 103 46.627 -10.986 14.053 1.00 0.00 O ATOM 1496 NE2 GLN A 103 46.808 -9.914 12.143 1.00 0.00 N ATOM 0 H GLN A 103 42.275 -8.293 11.230 1.00 0.00 H new ATOM 0 HA GLN A 103 42.188 -10.304 13.232 1.00 0.00 H new ATOM 0 HB2 GLN A 103 44.095 -8.875 11.689 1.00 0.00 H new ATOM 0 HB3 GLN A 103 44.492 -8.522 13.360 1.00 0.00 H new ATOM 0 HG2 GLN A 103 44.134 -11.134 13.717 1.00 0.00 H new ATOM 0 HG3 GLN A 103 44.356 -11.223 11.981 1.00 0.00 H new ATOM 0 HE21 GLN A 103 46.361 -9.523 11.314 1.00 0.00 H new ATOM 0 HE22 GLN A 103 47.818 -9.836 12.263 1.00 0.00 H new ATOM 1505 N ALA A 104 42.155 -7.193 14.167 1.00 0.00 N ATOM 1506 CA ALA A 104 41.912 -6.295 15.265 1.00 0.00 C ATOM 1507 C ALA A 104 40.449 -6.351 15.684 1.00 0.00 C ATOM 1508 O ALA A 104 40.138 -6.641 16.840 1.00 0.00 O ATOM 1509 CB ALA A 104 42.292 -4.882 14.842 1.00 0.00 C ATOM 0 H ALA A 104 42.257 -6.733 13.262 1.00 0.00 H new ATOM 0 HA ALA A 104 42.518 -6.593 16.120 1.00 0.00 H new ATOM 0 HB1 ALA A 104 42.111 -4.194 15.668 1.00 0.00 H new ATOM 0 HB2 ALA A 104 43.348 -4.855 14.571 1.00 0.00 H new ATOM 0 HB3 ALA A 104 41.690 -4.585 13.984 1.00 0.00 H new ATOM 1515 N ALA A 105 39.551 -6.095 14.740 1.00 0.00 N ATOM 1516 CA ALA A 105 38.128 -6.149 15.035 1.00 0.00 C ATOM 1517 C ALA A 105 37.800 -7.503 15.644 1.00 0.00 C ATOM 1518 O ALA A 105 37.234 -7.599 16.737 1.00 0.00 O ATOM 1519 CB ALA A 105 37.318 -5.964 13.753 1.00 0.00 C ATOM 0 H ALA A 105 39.780 -5.851 13.776 1.00 0.00 H new ATOM 0 HA ALA A 105 37.875 -5.352 15.734 1.00 0.00 H new ATOM 0 HB1 ALA A 105 36.254 -6.006 13.986 1.00 0.00 H new ATOM 0 HB2 ALA A 105 37.554 -4.997 13.310 1.00 0.00 H new ATOM 0 HB3 ALA A 105 37.567 -6.757 13.048 1.00 0.00 H new ATOM 1525 N ILE A 106 38.178 -8.550 14.923 1.00 0.00 N ATOM 1526 CA ILE A 106 37.946 -9.906 15.379 1.00 0.00 C ATOM 1527 C ILE A 106 38.442 -10.075 16.796 1.00 0.00 C ATOM 1528 O ILE A 106 37.662 -10.299 17.700 1.00 0.00 O ATOM 1529 CB ILE A 106 38.682 -10.899 14.504 1.00 0.00 C ATOM 1530 CG1 ILE A 106 38.066 -10.920 13.099 1.00 0.00 C ATOM 1531 CG2 ILE A 106 38.582 -12.289 15.130 1.00 0.00 C ATOM 1532 CD1 ILE A 106 36.916 -11.929 13.058 1.00 0.00 C ATOM 0 H ILE A 106 38.647 -8.482 14.020 1.00 0.00 H new ATOM 0 HA ILE A 106 36.873 -10.091 15.329 1.00 0.00 H new ATOM 0 HB ILE A 106 39.729 -10.605 14.425 1.00 0.00 H new ATOM 0 HG12 ILE A 106 37.702 -9.927 12.836 1.00 0.00 H new ATOM 0 HG13 ILE A 106 38.824 -11.187 12.363 1.00 0.00 H new ATOM 0 HG21 ILE A 106 39.110 -13.009 14.504 1.00 0.00 H new ATOM 0 HG22 ILE A 106 39.030 -12.274 16.123 1.00 0.00 H new ATOM 0 HG23 ILE A 106 37.534 -12.578 15.209 1.00 0.00 H new ATOM 0 HD11 ILE A 106 36.479 -11.943 12.059 1.00 0.00 H new ATOM 0 HD12 ILE A 106 37.294 -12.922 13.302 1.00 0.00 H new ATOM 0 HD13 ILE A 106 36.154 -11.642 13.783 1.00 0.00 H new ATOM 1544 N ALA A 107 39.753 -9.968 16.974 1.00 0.00 N ATOM 1545 CA ALA A 107 40.349 -10.122 18.291 1.00 0.00 C ATOM 1546 C ALA A 107 39.567 -9.329 19.327 1.00 0.00 C ATOM 1547 O ALA A 107 39.279 -9.822 20.414 1.00 0.00 O ATOM 1548 CB ALA A 107 41.796 -9.643 18.256 1.00 0.00 C ATOM 0 H ALA A 107 40.419 -9.776 16.226 1.00 0.00 H new ATOM 0 HA ALA A 107 40.321 -11.176 18.568 1.00 0.00 H new ATOM 0 HB1 ALA A 107 42.242 -9.759 19.244 1.00 0.00 H new ATOM 0 HB2 ALA A 107 42.358 -10.234 17.533 1.00 0.00 H new ATOM 0 HB3 ALA A 107 41.825 -8.593 17.966 1.00 0.00 H new ATOM 1554 N LEU A 108 39.228 -8.098 18.980 1.00 0.00 N ATOM 1555 CA LEU A 108 38.477 -7.237 19.882 1.00 0.00 C ATOM 1556 C LEU A 108 37.116 -7.851 20.205 1.00 0.00 C ATOM 1557 O LEU A 108 36.550 -7.603 21.269 1.00 0.00 O ATOM 1558 CB LEU A 108 38.279 -5.871 19.227 1.00 0.00 C ATOM 1559 CG LEU A 108 37.543 -4.939 20.192 1.00 0.00 C ATOM 1560 CD1 LEU A 108 38.505 -4.457 21.281 1.00 0.00 C ATOM 1561 CD2 LEU A 108 37.000 -3.733 19.419 1.00 0.00 C ATOM 0 H LEU A 108 39.460 -7.672 18.083 1.00 0.00 H new ATOM 0 HA LEU A 108 39.037 -7.127 20.811 1.00 0.00 H new ATOM 0 HB2 LEU A 108 39.244 -5.443 18.958 1.00 0.00 H new ATOM 0 HB3 LEU A 108 37.709 -5.978 18.304 1.00 0.00 H new ATOM 0 HG LEU A 108 36.717 -5.478 20.656 1.00 0.00 H new ATOM 0 HD11 LEU A 108 37.977 -3.794 21.966 1.00 0.00 H new ATOM 0 HD12 LEU A 108 38.890 -5.315 21.832 1.00 0.00 H new ATOM 0 HD13 LEU A 108 39.334 -3.919 20.822 1.00 0.00 H new ATOM 0 HD21 LEU A 108 36.475 -3.068 20.105 1.00 0.00 H new ATOM 0 HD22 LEU A 108 37.827 -3.196 18.954 1.00 0.00 H new ATOM 0 HD23 LEU A 108 36.311 -4.076 18.647 1.00 0.00 H new ATOM 1573 N SER A 109 36.589 -8.637 19.269 1.00 0.00 N ATOM 1574 CA SER A 109 35.281 -9.265 19.454 1.00 0.00 C ATOM 1575 C SER A 109 35.402 -10.721 19.899 1.00 0.00 C ATOM 1576 O SER A 109 34.439 -11.317 20.382 1.00 0.00 O ATOM 1577 CB SER A 109 34.511 -9.202 18.138 1.00 0.00 C ATOM 1578 OG SER A 109 33.429 -8.289 18.269 1.00 0.00 O ATOM 0 H SER A 109 37.042 -8.854 18.381 1.00 0.00 H new ATOM 0 HA SER A 109 34.754 -8.722 20.238 1.00 0.00 H new ATOM 0 HB2 SER A 109 35.173 -8.886 17.331 1.00 0.00 H new ATOM 0 HB3 SER A 109 34.137 -10.191 17.875 1.00 0.00 H new ATOM 0 HG SER A 109 32.934 -8.245 17.424 1.00 0.00 H new ATOM 1584 N LEU A 110 36.582 -11.285 19.722 1.00 0.00 N ATOM 1585 CA LEU A 110 36.831 -12.671 20.090 1.00 0.00 C ATOM 1586 C LEU A 110 37.501 -12.726 21.460 1.00 0.00 C ATOM 1587 O LEU A 110 37.625 -13.785 22.074 1.00 0.00 O ATOM 1588 CB LEU A 110 37.719 -13.331 19.020 1.00 0.00 C ATOM 1589 CG LEU A 110 37.320 -14.799 18.850 1.00 0.00 C ATOM 1590 CD1 LEU A 110 37.481 -15.532 20.181 1.00 0.00 C ATOM 1591 CD2 LEU A 110 35.860 -14.877 18.396 1.00 0.00 C ATOM 0 H LEU A 110 37.388 -10.804 19.324 1.00 0.00 H new ATOM 0 HA LEU A 110 35.888 -13.215 20.146 1.00 0.00 H new ATOM 0 HB2 LEU A 110 37.615 -12.804 18.072 1.00 0.00 H new ATOM 0 HB3 LEU A 110 38.767 -13.261 19.310 1.00 0.00 H new ATOM 0 HG LEU A 110 37.961 -15.266 18.102 1.00 0.00 H new ATOM 0 HD11 LEU A 110 37.196 -16.577 20.058 1.00 0.00 H new ATOM 0 HD12 LEU A 110 38.520 -15.475 20.505 1.00 0.00 H new ATOM 0 HD13 LEU A 110 36.841 -15.068 20.932 1.00 0.00 H new ATOM 0 HD21 LEU A 110 35.572 -15.921 18.274 1.00 0.00 H new ATOM 0 HD22 LEU A 110 35.221 -14.410 19.145 1.00 0.00 H new ATOM 0 HD23 LEU A 110 35.746 -14.356 17.446 1.00 0.00 H new ATOM 1603 N LEU A 111 37.914 -11.564 21.932 1.00 0.00 N ATOM 1604 CA LEU A 111 38.561 -11.454 23.234 1.00 0.00 C ATOM 1605 C LEU A 111 37.883 -10.374 24.071 1.00 0.00 C ATOM 1606 O LEU A 111 36.733 -10.015 23.819 1.00 0.00 O ATOM 1607 CB LEU A 111 40.043 -11.117 23.058 1.00 0.00 C ATOM 1608 CG LEU A 111 40.774 -12.334 22.489 1.00 0.00 C ATOM 1609 CD1 LEU A 111 42.046 -11.882 21.766 1.00 0.00 C ATOM 1610 CD2 LEU A 111 41.147 -13.279 23.633 1.00 0.00 C ATOM 0 H LEU A 111 37.814 -10.679 21.435 1.00 0.00 H new ATOM 0 HA LEU A 111 38.471 -12.410 23.749 1.00 0.00 H new ATOM 0 HB2 LEU A 111 40.157 -10.264 22.389 1.00 0.00 H new ATOM 0 HB3 LEU A 111 40.479 -10.831 24.015 1.00 0.00 H new ATOM 0 HG LEU A 111 40.124 -12.850 21.783 1.00 0.00 H new ATOM 0 HD11 LEU A 111 42.564 -12.752 21.362 1.00 0.00 H new ATOM 0 HD12 LEU A 111 41.782 -11.207 20.952 1.00 0.00 H new ATOM 0 HD13 LEU A 111 42.699 -11.365 22.468 1.00 0.00 H new ATOM 0 HD21 LEU A 111 41.668 -14.148 23.232 1.00 0.00 H new ATOM 0 HD22 LEU A 111 41.797 -12.759 24.337 1.00 0.00 H new ATOM 0 HD23 LEU A 111 40.242 -13.604 24.146 1.00 0.00 H new ATOM 1622 N GLU A 112 38.600 -9.862 25.067 1.00 0.00 N ATOM 1623 CA GLU A 112 38.051 -8.824 25.932 1.00 0.00 C ATOM 1624 C GLU A 112 36.922 -9.382 26.787 1.00 0.00 C ATOM 1625 O GLU A 112 36.659 -8.901 27.888 1.00 0.00 O ATOM 1626 CB GLU A 112 37.533 -7.662 25.087 1.00 0.00 C ATOM 1627 CG GLU A 112 37.253 -6.458 25.986 1.00 0.00 C ATOM 1628 CD GLU A 112 35.775 -6.419 26.359 1.00 0.00 C ATOM 1629 OE1 GLU A 112 34.956 -6.533 25.463 1.00 0.00 O ATOM 1630 OE2 GLU A 112 35.484 -6.277 27.535 1.00 0.00 O ATOM 0 H GLU A 112 39.553 -10.146 25.294 1.00 0.00 H new ATOM 0 HA GLU A 112 38.843 -8.467 26.590 1.00 0.00 H new ATOM 0 HB2 GLU A 112 38.267 -7.397 24.326 1.00 0.00 H new ATOM 0 HB3 GLU A 112 36.623 -7.957 24.564 1.00 0.00 H new ATOM 0 HG2 GLU A 112 37.863 -6.517 26.888 1.00 0.00 H new ATOM 0 HG3 GLU A 112 37.532 -5.538 25.473 1.00 0.00 H new ATOM 1637 N SER A 113 36.267 -10.403 26.264 1.00 0.00 N ATOM 1638 CA SER A 113 35.166 -11.043 26.971 1.00 0.00 C ATOM 1639 C SER A 113 35.691 -12.121 27.917 1.00 0.00 C ATOM 1640 O SER A 113 35.121 -12.355 28.982 1.00 0.00 O ATOM 1641 CB SER A 113 34.195 -11.666 25.968 1.00 0.00 C ATOM 1642 OG SER A 113 32.896 -11.123 26.173 1.00 0.00 O ATOM 0 H SER A 113 36.477 -10.809 25.352 1.00 0.00 H new ATOM 0 HA SER A 113 34.645 -10.286 27.557 1.00 0.00 H new ATOM 0 HB2 SER A 113 34.529 -11.467 24.950 1.00 0.00 H new ATOM 0 HB3 SER A 113 34.173 -12.749 26.090 1.00 0.00 H new ATOM 0 HG SER A 113 32.271 -11.519 25.530 1.00 0.00 H new ATOM 1648 N PRO A 114 36.764 -12.774 27.548 1.00 0.00 N ATOM 1649 CA PRO A 114 37.378 -13.842 28.376 1.00 0.00 C ATOM 1650 C PRO A 114 38.278 -13.270 29.468 1.00 0.00 C ATOM 1651 O PRO A 114 38.063 -12.152 29.938 1.00 0.00 O ATOM 1652 CB PRO A 114 38.185 -14.670 27.370 1.00 0.00 C ATOM 1653 CG PRO A 114 38.394 -13.804 26.163 1.00 0.00 C ATOM 1654 CD PRO A 114 37.507 -12.563 26.302 1.00 0.00 C ATOM 0 HA PRO A 114 36.630 -14.432 28.907 1.00 0.00 H new ATOM 0 HB2 PRO A 114 39.140 -14.974 27.798 1.00 0.00 H new ATOM 0 HB3 PRO A 114 37.651 -15.582 27.103 1.00 0.00 H new ATOM 0 HG2 PRO A 114 39.442 -13.515 26.080 1.00 0.00 H new ATOM 0 HG3 PRO A 114 38.142 -14.351 25.255 1.00 0.00 H new ATOM 0 HD2 PRO A 114 38.104 -11.652 26.347 1.00 0.00 H new ATOM 0 HD3 PRO A 114 36.833 -12.461 25.452 1.00 0.00 H new ATOM 1662 N LYS A 115 39.283 -14.040 29.872 1.00 0.00 N ATOM 1663 CA LYS A 115 40.201 -13.592 30.912 1.00 0.00 C ATOM 1664 C LYS A 115 41.611 -13.426 30.356 1.00 0.00 C ATOM 1665 O LYS A 115 41.843 -13.605 29.160 1.00 0.00 O ATOM 1666 CB LYS A 115 40.222 -14.602 32.060 1.00 0.00 C ATOM 1667 CG LYS A 115 40.275 -13.857 33.394 1.00 0.00 C ATOM 1668 CD LYS A 115 38.878 -13.343 33.747 1.00 0.00 C ATOM 1669 CE LYS A 115 39.000 -12.118 34.655 1.00 0.00 C ATOM 1670 NZ LYS A 115 37.803 -12.035 35.540 1.00 0.00 N ATOM 0 H LYS A 115 39.481 -14.968 29.499 1.00 0.00 H new ATOM 0 HA LYS A 115 39.854 -12.626 31.280 1.00 0.00 H new ATOM 0 HB2 LYS A 115 39.335 -15.234 32.019 1.00 0.00 H new ATOM 0 HB3 LYS A 115 41.086 -15.260 31.964 1.00 0.00 H new ATOM 0 HG2 LYS A 115 40.639 -14.520 34.179 1.00 0.00 H new ATOM 0 HG3 LYS A 115 40.975 -13.024 33.330 1.00 0.00 H new ATOM 0 HD2 LYS A 115 38.334 -13.083 32.839 1.00 0.00 H new ATOM 0 HD3 LYS A 115 38.307 -14.125 34.248 1.00 0.00 H new ATOM 0 HE2 LYS A 115 39.906 -12.187 35.257 1.00 0.00 H new ATOM 0 HE3 LYS A 115 39.084 -11.213 34.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 37.885 -11.202 36.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 36.946 -11.951 34.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 37.742 -12.894 36.123 1.00 0.00 H new ATOM 1684 N ILE A 116 42.548 -13.084 31.234 1.00 0.00 N ATOM 1685 CA ILE A 116 43.934 -12.896 30.824 1.00 0.00 C ATOM 1686 C ILE A 116 44.807 -14.013 31.379 1.00 0.00 C ATOM 1687 O ILE A 116 45.974 -14.146 31.011 1.00 0.00 O ATOM 1688 CB ILE A 116 44.447 -11.548 31.331 1.00 0.00 C ATOM 1689 CG1 ILE A 116 43.356 -10.490 31.160 1.00 0.00 C ATOM 1690 CG2 ILE A 116 45.685 -11.136 30.531 1.00 0.00 C ATOM 1691 CD1 ILE A 116 43.873 -9.138 31.652 1.00 0.00 C ATOM 0 H ILE A 116 42.374 -12.932 32.228 1.00 0.00 H new ATOM 0 HA ILE A 116 43.981 -12.917 29.735 1.00 0.00 H new ATOM 0 HB ILE A 116 44.709 -11.635 32.386 1.00 0.00 H new ATOM 0 HG12 ILE A 116 43.064 -10.420 30.112 1.00 0.00 H new ATOM 0 HG13 ILE A 116 42.466 -10.777 31.720 1.00 0.00 H new ATOM 0 HG21 ILE A 116 46.049 -10.175 30.894 1.00 0.00 H new ATOM 0 HG22 ILE A 116 46.464 -11.889 30.653 1.00 0.00 H new ATOM 0 HG23 ILE A 116 45.425 -11.051 29.476 1.00 0.00 H new ATOM 0 HD11 ILE A 116 43.095 -8.385 31.530 1.00 0.00 H new ATOM 0 HD12 ILE A 116 44.143 -9.213 32.705 1.00 0.00 H new ATOM 0 HD13 ILE A 116 44.750 -8.851 31.072 1.00 0.00 H new ATOM 1703 N GLN A 117 44.232 -14.809 32.269 1.00 0.00 N ATOM 1704 CA GLN A 117 44.963 -15.914 32.876 1.00 0.00 C ATOM 1705 C GLN A 117 44.804 -17.186 32.050 1.00 0.00 C ATOM 1706 O GLN A 117 43.782 -17.868 32.132 1.00 0.00 O ATOM 1707 CB GLN A 117 44.451 -16.158 34.297 1.00 0.00 C ATOM 1708 CG GLN A 117 44.688 -14.907 35.147 1.00 0.00 C ATOM 1709 CD GLN A 117 45.375 -15.288 36.454 1.00 0.00 C ATOM 1710 OE1 GLN A 117 44.962 -14.845 37.526 1.00 0.00 O ATOM 1711 NE2 GLN A 117 46.405 -16.089 36.430 1.00 0.00 N ATOM 0 H GLN A 117 43.267 -14.712 32.586 1.00 0.00 H new ATOM 0 HA GLN A 117 46.020 -15.650 32.909 1.00 0.00 H new ATOM 0 HB2 GLN A 117 43.388 -16.400 34.276 1.00 0.00 H new ATOM 0 HB3 GLN A 117 44.964 -17.013 34.738 1.00 0.00 H new ATOM 0 HG2 GLN A 117 45.303 -14.195 34.597 1.00 0.00 H new ATOM 0 HG3 GLN A 117 43.739 -14.414 35.356 1.00 0.00 H new ATOM 0 HE21 GLN A 117 46.746 -16.455 35.541 1.00 0.00 H new ATOM 0 HE22 GLN A 117 46.869 -16.349 37.300 1.00 0.00 H new ATOM 1720 N ALA A 118 45.824 -17.500 31.259 1.00 0.00 N ATOM 1721 CA ALA A 118 45.795 -18.693 30.423 1.00 0.00 C ATOM 1722 C ALA A 118 44.446 -18.835 29.726 1.00 0.00 C ATOM 1723 O ALA A 118 43.834 -17.845 29.328 1.00 0.00 O ATOM 1724 CB ALA A 118 46.062 -19.929 31.282 1.00 0.00 C ATOM 0 H ALA A 118 46.678 -16.947 31.180 1.00 0.00 H new ATOM 0 HA ALA A 118 46.569 -18.600 29.661 1.00 0.00 H new ATOM 0 HB1 ALA A 118 46.040 -20.820 30.654 1.00 0.00 H new ATOM 0 HB2 ALA A 118 47.041 -19.841 31.752 1.00 0.00 H new ATOM 0 HB3 ALA A 118 45.295 -20.009 32.053 1.00 0.00 H new ATOM 1730 N ASP A 119 43.992 -20.075 29.579 1.00 0.00 N ATOM 1731 CA ASP A 119 42.716 -20.338 28.925 1.00 0.00 C ATOM 1732 C ASP A 119 41.563 -20.144 29.903 1.00 0.00 C ATOM 1733 O ASP A 119 40.530 -19.572 29.554 1.00 0.00 O ATOM 1734 CB ASP A 119 42.690 -21.768 28.381 1.00 0.00 C ATOM 1735 CG ASP A 119 43.526 -21.856 27.108 1.00 0.00 C ATOM 1736 OD1 ASP A 119 43.905 -20.814 26.598 1.00 0.00 O ATOM 1737 OD2 ASP A 119 43.774 -22.963 26.663 1.00 0.00 O ATOM 0 H ASP A 119 44.485 -20.908 29.901 1.00 0.00 H new ATOM 0 HA ASP A 119 42.602 -19.634 28.100 1.00 0.00 H new ATOM 0 HB2 ASP A 119 43.079 -22.458 29.130 1.00 0.00 H new ATOM 0 HB3 ASP A 119 41.663 -22.068 28.173 1.00 0.00 H new ATOM 1742 N GLY A 120 41.745 -20.625 31.128 1.00 0.00 N ATOM 1743 CA GLY A 120 40.712 -20.499 32.147 1.00 0.00 C ATOM 1744 C GLY A 120 41.053 -19.388 33.133 1.00 0.00 C ATOM 1745 O GLY A 120 40.628 -18.268 32.902 1.00 0.00 O ATOM 0 H GLY A 120 42.592 -21.102 31.437 1.00 0.00 H new ATOM 0 HA2 GLY A 120 39.753 -20.289 31.674 1.00 0.00 H new ATOM 0 HA3 GLY A 120 40.604 -21.444 32.680 1.00 0.00 H new TER 1749 GLY A 120