USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 504 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 GLN : amide:sc= -0.422 X(o=-0.26,f=-0.16) USER MOD Set 1.2: A 34 ASN : amide:sc= 0.157 X(o=-0.26,f=-0.16) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.3!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.334 X(o=-0.33,f=0) USER MOD Single : A 23 SER OG : rot -34:sc= 0.281 USER MOD Single : A 24 GLN : amide:sc= -0.0568 X(o=-0.057,f=-0.52) USER MOD Single : A 25 THR OG1 : rot 150:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.15 K(o=-0.15,f=-1) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.46 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.3!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 56 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 39:sc= 1.03 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot 25:sc= 0.00537 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.292 4.880 10.310 1.00 0.00 N ATOM 2 CA MET A 1 -25.436 3.820 9.328 1.00 0.00 C ATOM 3 C MET A 1 -24.082 3.449 8.718 1.00 0.00 C ATOM 4 O MET A 1 -23.328 4.324 8.295 1.00 0.00 O ATOM 5 CB MET A 1 -26.388 4.275 8.220 1.00 0.00 C ATOM 6 CG MET A 1 -27.563 3.307 8.073 1.00 0.00 C ATOM 7 SD MET A 1 -28.312 3.494 6.464 1.00 0.00 S ATOM 8 CE MET A 1 -30.036 3.372 6.908 1.00 0.00 C ATOM 0 H1 MET A 1 -26.224 5.113 10.709 1.00 0.00 H new ATOM 0 H2 MET A 1 -24.659 4.564 11.072 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.890 5.724 9.854 1.00 0.00 H new ATOM 0 HA MET A 1 -25.841 2.940 9.828 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.762 5.274 8.445 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.847 4.342 7.276 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.218 2.281 8.206 1.00 0.00 H new ATOM 0 HG3 MET A 1 -28.302 3.498 8.851 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.650 3.469 6.013 1.00 0.00 H new ATOM 0 HE2 MET A 1 -30.224 2.405 7.374 1.00 0.00 H new ATOM 0 HE3 MET A 1 -30.288 4.168 7.609 1.00 0.00 H new ATOM 16 N ALA A 2 -23.816 2.152 8.692 1.00 0.00 N ATOM 17 CA ALA A 2 -22.566 1.655 8.141 1.00 0.00 C ATOM 18 C ALA A 2 -22.761 0.214 7.666 1.00 0.00 C ATOM 19 O ALA A 2 -23.551 -0.532 8.243 1.00 0.00 O ATOM 20 CB ALA A 2 -21.460 1.780 9.191 1.00 0.00 C ATOM 0 H ALA A 2 -24.444 1.429 9.043 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.263 2.248 7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -20.523 1.407 8.778 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -21.342 2.826 9.472 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.726 1.195 10.071 1.00 0.00 H new ATOM 26 N SER A 3 -22.026 -0.135 6.621 1.00 0.00 N ATOM 27 CA SER A 3 -22.107 -1.475 6.062 1.00 0.00 C ATOM 28 C SER A 3 -21.233 -1.573 4.810 1.00 0.00 C ATOM 29 O SER A 3 -20.875 -0.556 4.218 1.00 0.00 O ATOM 30 CB SER A 3 -23.554 -1.846 5.730 1.00 0.00 C ATOM 31 OG SER A 3 -24.207 -0.828 4.978 1.00 0.00 O ATOM 0 H SER A 3 -21.371 0.486 6.146 1.00 0.00 H new ATOM 0 HA SER A 3 -21.742 -2.180 6.808 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.569 -2.779 5.166 1.00 0.00 H new ATOM 0 HB3 SER A 3 -24.104 -2.023 6.654 1.00 0.00 H new ATOM 0 HG SER A 3 -25.127 -1.103 4.785 1.00 0.00 H new ATOM 36 N LEU A 4 -20.916 -2.807 4.445 1.00 0.00 N ATOM 37 CA LEU A 4 -20.090 -3.051 3.274 1.00 0.00 C ATOM 38 C LEU A 4 -20.733 -2.388 2.055 1.00 0.00 C ATOM 39 O LEU A 4 -20.036 -1.842 1.202 1.00 0.00 O ATOM 40 CB LEU A 4 -19.840 -4.550 3.099 1.00 0.00 C ATOM 41 CG LEU A 4 -18.490 -5.069 3.597 1.00 0.00 C ATOM 42 CD1 LEU A 4 -18.587 -6.537 4.016 1.00 0.00 C ATOM 43 CD2 LEU A 4 -17.396 -4.843 2.552 1.00 0.00 C ATOM 0 H LEU A 4 -21.216 -3.648 4.939 1.00 0.00 H new ATOM 0 HA LEU A 4 -19.106 -2.600 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -20.629 -5.093 3.619 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -19.931 -4.792 2.040 1.00 0.00 H new ATOM 0 HG LEU A 4 -18.212 -4.499 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -17.614 -6.881 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -19.318 -6.639 4.818 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -18.899 -7.139 3.163 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -16.447 -5.221 2.931 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -17.655 -5.370 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -17.305 -3.777 2.345 1.00 0.00 H new ATOM 54 N ILE A 5 -22.056 -2.457 2.012 1.00 0.00 N ATOM 55 CA ILE A 5 -22.801 -1.870 0.911 1.00 0.00 C ATOM 56 C ILE A 5 -22.433 -0.390 0.785 1.00 0.00 C ATOM 57 O ILE A 5 -22.222 0.108 -0.320 1.00 0.00 O ATOM 58 CB ILE A 5 -24.300 -2.118 1.086 1.00 0.00 C ATOM 59 CG1 ILE A 5 -24.600 -3.616 1.180 1.00 0.00 C ATOM 60 CG2 ILE A 5 -25.101 -1.441 -0.028 1.00 0.00 C ATOM 61 CD1 ILE A 5 -26.010 -3.860 1.724 1.00 0.00 C ATOM 0 H ILE A 5 -22.631 -2.911 2.722 1.00 0.00 H new ATOM 0 HA ILE A 5 -22.530 -2.348 -0.030 1.00 0.00 H new ATOM 0 HB ILE A 5 -24.614 -1.667 2.027 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -24.502 -4.073 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -23.868 -4.097 1.828 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -26.164 -1.633 0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -24.920 -0.366 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -24.791 -1.841 -0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -26.198 -4.932 1.781 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -26.097 -3.423 2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -26.741 -3.398 1.060 1.00 0.00 H new ATOM 72 N GLN A 6 -22.367 0.271 1.931 1.00 0.00 N ATOM 73 CA GLN A 6 -22.029 1.684 1.962 1.00 0.00 C ATOM 74 C GLN A 6 -20.667 1.917 1.307 1.00 0.00 C ATOM 75 O GLN A 6 -20.542 2.745 0.405 1.00 0.00 O ATOM 76 CB GLN A 6 -22.049 2.221 3.395 1.00 0.00 C ATOM 77 CG GLN A 6 -23.210 3.194 3.600 1.00 0.00 C ATOM 78 CD GLN A 6 -22.893 4.201 4.708 1.00 0.00 C ATOM 79 OE1 GLN A 6 -23.227 4.014 5.866 1.00 0.00 O ATOM 80 NE2 GLN A 6 -22.233 5.276 4.288 1.00 0.00 N ATOM 0 H GLN A 6 -22.542 -0.146 2.845 1.00 0.00 H new ATOM 0 HA GLN A 6 -22.782 2.231 1.394 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -22.137 1.392 4.097 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -21.106 2.723 3.612 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -23.414 3.724 2.670 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -24.113 2.640 3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -21.984 5.369 3.303 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -21.975 6.007 4.951 1.00 0.00 H new ATOM 87 N VAL A 7 -19.680 1.174 1.786 1.00 0.00 N ATOM 88 CA VAL A 7 -18.332 1.291 1.258 1.00 0.00 C ATOM 89 C VAL A 7 -18.316 0.821 -0.198 1.00 0.00 C ATOM 90 O VAL A 7 -17.769 1.498 -1.067 1.00 0.00 O ATOM 91 CB VAL A 7 -17.353 0.520 2.146 1.00 0.00 C ATOM 92 CG1 VAL A 7 -15.990 0.376 1.465 1.00 0.00 C ATOM 93 CG2 VAL A 7 -17.214 1.186 3.516 1.00 0.00 C ATOM 0 H VAL A 7 -19.787 0.489 2.534 1.00 0.00 H new ATOM 0 HA VAL A 7 -18.008 2.332 1.267 1.00 0.00 H new ATOM 0 HB VAL A 7 -17.757 -0.480 2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.314 -0.176 2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -16.108 -0.164 0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.576 1.365 1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.513 0.618 4.127 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.844 2.204 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -18.186 1.212 4.008 1.00 0.00 H new ATOM 103 N ARG A 8 -18.923 -0.336 -0.419 1.00 0.00 N ATOM 104 CA ARG A 8 -18.985 -0.905 -1.755 1.00 0.00 C ATOM 105 C ARG A 8 -19.563 0.114 -2.739 1.00 0.00 C ATOM 106 O ARG A 8 -19.034 0.292 -3.835 1.00 0.00 O ATOM 107 CB ARG A 8 -19.849 -2.168 -1.775 1.00 0.00 C ATOM 108 CG ARG A 8 -19.084 -3.364 -1.205 1.00 0.00 C ATOM 109 CD ARG A 8 -19.633 -4.681 -1.758 1.00 0.00 C ATOM 110 NE ARG A 8 -18.797 -5.812 -1.298 1.00 0.00 N ATOM 111 CZ ARG A 8 -19.180 -7.105 -1.346 1.00 0.00 C ATOM 112 NH1 ARG A 8 -20.392 -7.443 -1.835 1.00 0.00 N ATOM 113 NH2 ARG A 8 -18.352 -8.034 -0.907 1.00 0.00 N ATOM 0 H ARG A 8 -19.376 -0.895 0.304 1.00 0.00 H new ATOM 0 HA ARG A 8 -17.969 -1.167 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -20.756 -2.002 -1.194 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -20.160 -2.384 -2.797 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.026 -3.275 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.159 -3.363 -0.118 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -20.663 -4.822 -1.429 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -19.648 -4.649 -2.847 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.873 -5.601 -0.921 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -21.026 -6.719 -2.172 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -20.674 -8.423 -1.868 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.438 -7.770 -0.539 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.626 -9.016 -0.936 1.00 0.00 H new ATOM 123 N ASP A 9 -20.640 0.758 -2.313 1.00 0.00 N ATOM 124 CA ASP A 9 -21.294 1.754 -3.143 1.00 0.00 C ATOM 125 C ASP A 9 -20.344 2.934 -3.360 1.00 0.00 C ATOM 126 O ASP A 9 -20.117 3.352 -4.495 1.00 0.00 O ATOM 127 CB ASP A 9 -22.561 2.286 -2.470 1.00 0.00 C ATOM 128 CG ASP A 9 -23.574 2.932 -3.418 1.00 0.00 C ATOM 129 OD1 ASP A 9 -24.020 2.312 -4.394 1.00 0.00 O ATOM 130 OD2 ASP A 9 -23.909 4.140 -3.115 1.00 0.00 O ATOM 0 H ASP A 9 -21.076 0.609 -1.403 1.00 0.00 H new ATOM 0 HA ASP A 9 -21.559 1.283 -4.090 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -23.049 1.464 -1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -22.274 3.018 -1.716 1.00 0.00 H new ATOM 135 N LEU A 10 -19.813 3.436 -2.255 1.00 0.00 N ATOM 136 CA LEU A 10 -18.893 4.560 -2.311 1.00 0.00 C ATOM 137 C LEU A 10 -17.703 4.195 -3.201 1.00 0.00 C ATOM 138 O LEU A 10 -17.354 4.942 -4.114 1.00 0.00 O ATOM 139 CB LEU A 10 -18.493 4.995 -0.900 1.00 0.00 C ATOM 140 CG LEU A 10 -19.217 6.226 -0.349 1.00 0.00 C ATOM 141 CD1 LEU A 10 -19.182 7.378 -1.354 1.00 0.00 C ATOM 142 CD2 LEU A 10 -20.644 5.878 0.077 1.00 0.00 C ATOM 0 H LEU A 10 -20.002 3.086 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 10 -19.377 5.426 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -18.667 4.161 -0.221 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -17.421 5.194 -0.892 1.00 0.00 H new ATOM 0 HG LEU A 10 -18.689 6.562 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -19.703 8.240 -0.938 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -18.147 7.647 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -19.671 7.070 -2.278 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -21.136 6.770 0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -21.199 5.502 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -20.616 5.113 0.853 1.00 0.00 H new ATOM 153 N LEU A 11 -17.113 3.046 -2.905 1.00 0.00 N ATOM 154 CA LEU A 11 -15.970 2.574 -3.667 1.00 0.00 C ATOM 155 C LEU A 11 -16.337 2.527 -5.152 1.00 0.00 C ATOM 156 O LEU A 11 -15.466 2.636 -6.014 1.00 0.00 O ATOM 157 CB LEU A 11 -15.474 1.236 -3.115 1.00 0.00 C ATOM 158 CG LEU A 11 -14.385 1.315 -2.044 1.00 0.00 C ATOM 159 CD1 LEU A 11 -13.834 -0.074 -1.717 1.00 0.00 C ATOM 160 CD2 LEU A 11 -13.278 2.287 -2.459 1.00 0.00 C ATOM 0 H LEU A 11 -17.405 2.428 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.133 3.265 -3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -16.326 0.699 -2.699 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -15.096 0.640 -3.946 1.00 0.00 H new ATOM 0 HG LEU A 11 -14.833 1.706 -1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.061 0.012 -0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -14.640 -0.708 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.407 -0.517 -2.617 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -12.516 2.325 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.827 1.948 -3.392 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.701 3.281 -2.601 1.00 0.00 H new ATOM 171 N ALA A 12 -17.628 2.366 -5.406 1.00 0.00 N ATOM 172 CA ALA A 12 -18.120 2.305 -6.772 1.00 0.00 C ATOM 173 C ALA A 12 -18.380 3.725 -7.279 1.00 0.00 C ATOM 174 O ALA A 12 -17.795 4.149 -8.275 1.00 0.00 O ATOM 175 CB ALA A 12 -19.373 1.429 -6.824 1.00 0.00 C ATOM 0 H ALA A 12 -18.348 2.276 -4.689 1.00 0.00 H new ATOM 0 HA ALA A 12 -17.377 1.851 -7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -19.742 1.383 -7.848 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -19.129 0.424 -6.481 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -20.142 1.855 -6.180 1.00 0.00 H new ATOM 181 N LEU A 13 -19.258 4.421 -6.573 1.00 0.00 N ATOM 182 CA LEU A 13 -19.603 5.783 -6.939 1.00 0.00 C ATOM 183 C LEU A 13 -18.328 6.625 -7.013 1.00 0.00 C ATOM 184 O LEU A 13 -18.008 7.182 -8.063 1.00 0.00 O ATOM 185 CB LEU A 13 -20.656 6.346 -5.982 1.00 0.00 C ATOM 186 CG LEU A 13 -22.099 5.906 -6.240 1.00 0.00 C ATOM 187 CD1 LEU A 13 -22.464 6.062 -7.717 1.00 0.00 C ATOM 188 CD2 LEU A 13 -22.335 4.480 -5.739 1.00 0.00 C ATOM 0 H LEU A 13 -19.742 4.066 -5.748 1.00 0.00 H new ATOM 0 HA LEU A 13 -20.060 5.807 -7.928 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -20.386 6.059 -4.966 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -20.615 7.434 -6.027 1.00 0.00 H new ATOM 0 HG LEU A 13 -22.762 6.560 -5.674 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -23.494 5.742 -7.873 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -22.360 7.107 -8.009 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -21.798 5.448 -8.323 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -23.368 4.192 -5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -21.663 3.796 -6.258 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -22.142 4.434 -4.667 1.00 0.00 H new ATOM 199 N ARG A 14 -17.634 6.692 -5.887 1.00 0.00 N ATOM 200 CA ARG A 14 -16.401 7.455 -5.811 1.00 0.00 C ATOM 201 C ARG A 14 -15.271 6.713 -6.526 1.00 0.00 C ATOM 202 O ARG A 14 -14.204 7.277 -6.764 1.00 0.00 O ATOM 203 CB ARG A 14 -15.996 7.706 -4.357 1.00 0.00 C ATOM 204 CG ARG A 14 -16.816 8.845 -3.748 1.00 0.00 C ATOM 205 CD ARG A 14 -18.270 8.788 -4.220 1.00 0.00 C ATOM 206 NE ARG A 14 -19.075 9.801 -3.503 1.00 0.00 N ATOM 207 CZ ARG A 14 -20.205 10.356 -3.992 1.00 0.00 C ATOM 208 NH1 ARG A 14 -20.672 10.000 -5.208 1.00 0.00 N ATOM 209 NH2 ARG A 14 -20.845 11.252 -3.265 1.00 0.00 N ATOM 0 H ARG A 14 -17.903 6.229 -5.019 1.00 0.00 H new ATOM 0 HA ARG A 14 -16.576 8.414 -6.299 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -16.140 6.797 -3.773 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -14.935 7.951 -4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -16.780 8.782 -2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -16.377 9.803 -4.026 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -18.319 8.966 -5.294 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -18.680 7.794 -4.043 1.00 0.00 H new ATOM 0 HE ARG A 14 -18.757 10.099 -2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -20.171 9.307 -5.764 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -21.526 10.424 -5.570 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -20.485 11.516 -2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -21.700 11.681 -3.620 1.00 0.00 H new ATOM 219 N GLY A 15 -15.544 5.458 -6.851 1.00 0.00 N ATOM 220 CA GLY A 15 -14.564 4.631 -7.536 1.00 0.00 C ATOM 221 C GLY A 15 -13.388 4.299 -6.614 1.00 0.00 C ATOM 222 O GLY A 15 -13.566 4.140 -5.407 1.00 0.00 O ATOM 0 H GLY A 15 -16.430 4.993 -6.653 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.035 3.709 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -14.201 5.150 -8.423 1.00 0.00 H new ATOM 226 N ARG A 16 -12.212 4.204 -7.218 1.00 0.00 N ATOM 227 CA ARG A 16 -11.008 3.893 -6.467 1.00 0.00 C ATOM 228 C ARG A 16 -10.692 5.020 -5.480 1.00 0.00 C ATOM 229 O ARG A 16 -10.589 6.181 -5.871 1.00 0.00 O ATOM 230 CB ARG A 16 -9.813 3.693 -7.401 1.00 0.00 C ATOM 231 CG ARG A 16 -9.705 4.842 -8.406 1.00 0.00 C ATOM 232 CD ARG A 16 -8.241 5.194 -8.681 1.00 0.00 C ATOM 233 NE ARG A 16 -8.050 5.477 -10.120 1.00 0.00 N ATOM 234 CZ ARG A 16 -8.633 6.505 -10.773 1.00 0.00 C ATOM 235 NH1 ARG A 16 -9.449 7.358 -10.119 1.00 0.00 N ATOM 236 NH2 ARG A 16 -8.391 6.664 -12.062 1.00 0.00 N ATOM 0 H ARG A 16 -12.068 4.337 -8.219 1.00 0.00 H new ATOM 0 HA ARG A 16 -11.187 2.967 -5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -8.896 3.630 -6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.917 2.748 -7.934 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -10.197 4.562 -9.338 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -10.227 5.718 -8.020 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -7.950 6.062 -8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.597 4.370 -8.376 1.00 0.00 H new ATOM 0 HE ARG A 16 -7.440 4.857 -10.652 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -9.630 7.229 -9.123 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.885 8.132 -10.620 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -7.772 6.015 -12.548 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -8.823 7.435 -12.571 1.00 0.00 H new ATOM 246 N MET A 17 -10.550 4.636 -4.220 1.00 0.00 N ATOM 247 CA MET A 17 -10.248 5.599 -3.175 1.00 0.00 C ATOM 248 C MET A 17 -9.615 4.913 -1.964 1.00 0.00 C ATOM 249 O MET A 17 -9.504 3.689 -1.926 1.00 0.00 O ATOM 250 CB MET A 17 -11.536 6.307 -2.746 1.00 0.00 C ATOM 251 CG MET A 17 -11.635 7.696 -3.379 1.00 0.00 C ATOM 252 SD MET A 17 -10.508 8.818 -2.569 1.00 0.00 S ATOM 253 CE MET A 17 -10.162 9.937 -3.917 1.00 0.00 C ATOM 0 H MET A 17 -10.638 3.672 -3.899 1.00 0.00 H new ATOM 0 HA MET A 17 -9.537 6.325 -3.570 1.00 0.00 H new ATOM 0 HB2 MET A 17 -12.399 5.708 -3.038 1.00 0.00 H new ATOM 0 HB3 MET A 17 -11.562 6.396 -1.660 1.00 0.00 H new ATOM 0 HG2 MET A 17 -11.402 7.638 -4.442 1.00 0.00 H new ATOM 0 HG3 MET A 17 -12.655 8.070 -3.297 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.468 10.707 -3.581 1.00 0.00 H new ATOM 0 HE2 MET A 17 -9.718 9.384 -4.744 1.00 0.00 H new ATOM 0 HE3 MET A 17 -11.089 10.404 -4.249 1.00 0.00 H new ATOM 261 N GLU A 18 -9.215 5.731 -1.001 1.00 0.00 N ATOM 262 CA GLU A 18 -8.596 5.218 0.209 1.00 0.00 C ATOM 263 C GLU A 18 -9.657 4.963 1.281 1.00 0.00 C ATOM 264 O GLU A 18 -10.767 5.484 1.199 1.00 0.00 O ATOM 265 CB GLU A 18 -7.518 6.177 0.722 1.00 0.00 C ATOM 266 CG GLU A 18 -6.628 5.494 1.761 1.00 0.00 C ATOM 267 CD GLU A 18 -6.014 4.210 1.199 1.00 0.00 C ATOM 268 OE1 GLU A 18 -6.686 3.169 1.156 1.00 0.00 O ATOM 269 OE2 GLU A 18 -4.792 4.320 0.798 1.00 0.00 O ATOM 0 H GLU A 18 -9.308 6.746 -1.035 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.111 4.271 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.909 6.525 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.988 7.057 1.162 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.835 6.175 2.070 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.214 5.262 2.651 1.00 0.00 H new ATOM 275 N ALA A 19 -9.277 4.158 2.263 1.00 0.00 N ATOM 276 CA ALA A 19 -10.182 3.825 3.350 1.00 0.00 C ATOM 277 C ALA A 19 -10.471 5.085 4.170 1.00 0.00 C ATOM 278 O ALA A 19 -11.608 5.317 4.577 1.00 0.00 O ATOM 279 CB ALA A 19 -9.574 2.705 4.197 1.00 0.00 C ATOM 0 H ALA A 19 -8.355 3.727 2.328 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.132 3.459 2.960 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.253 2.456 5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.415 1.824 3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.620 3.036 4.608 1.00 0.00 H new ATOM 285 N ALA A 20 -9.423 5.864 4.388 1.00 0.00 N ATOM 286 CA ALA A 20 -9.550 7.094 5.152 1.00 0.00 C ATOM 287 C ALA A 20 -10.809 7.840 4.704 1.00 0.00 C ATOM 288 O ALA A 20 -11.520 8.412 5.527 1.00 0.00 O ATOM 289 CB ALA A 20 -8.283 7.934 4.981 1.00 0.00 C ATOM 0 H ALA A 20 -8.481 5.668 4.049 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.656 6.877 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.378 8.856 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.422 7.371 5.340 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.145 8.174 3.927 1.00 0.00 H new ATOM 295 N GLN A 21 -11.044 7.807 3.400 1.00 0.00 N ATOM 296 CA GLN A 21 -12.206 8.473 2.833 1.00 0.00 C ATOM 297 C GLN A 21 -13.467 7.645 3.085 1.00 0.00 C ATOM 298 O GLN A 21 -14.498 8.183 3.486 1.00 0.00 O ATOM 299 CB GLN A 21 -12.011 8.736 1.339 1.00 0.00 C ATOM 300 CG GLN A 21 -11.499 10.157 1.095 1.00 0.00 C ATOM 301 CD GLN A 21 -12.627 11.071 0.612 1.00 0.00 C ATOM 302 OE1 GLN A 21 -12.498 11.798 -0.360 1.00 0.00 O ATOM 303 NE2 GLN A 21 -13.736 10.993 1.341 1.00 0.00 N ATOM 0 H GLN A 21 -10.451 7.330 2.721 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.325 9.438 3.326 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -11.304 8.015 0.928 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -12.955 8.591 0.814 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.071 10.556 2.015 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.700 10.137 0.354 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -13.776 10.363 2.142 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.547 11.563 1.099 1.00 0.00 H new ATOM 310 N ILE A 22 -13.344 6.349 2.838 1.00 0.00 N ATOM 311 CA ILE A 22 -14.463 5.441 3.033 1.00 0.00 C ATOM 312 C ILE A 22 -14.944 5.534 4.482 1.00 0.00 C ATOM 313 O ILE A 22 -16.136 5.698 4.735 1.00 0.00 O ATOM 314 CB ILE A 22 -14.083 4.023 2.600 1.00 0.00 C ATOM 315 CG1 ILE A 22 -13.692 3.988 1.121 1.00 0.00 C ATOM 316 CG2 ILE A 22 -15.205 3.033 2.920 1.00 0.00 C ATOM 317 CD1 ILE A 22 -12.782 2.794 0.824 1.00 0.00 C ATOM 0 H ILE A 22 -12.488 5.906 2.505 1.00 0.00 H new ATOM 0 HA ILE A 22 -15.302 5.729 2.400 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.208 3.714 3.172 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.589 3.928 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -13.183 4.914 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.910 2.033 2.602 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.394 3.032 3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.112 3.328 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.518 2.792 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.875 2.870 1.424 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.304 1.869 1.070 1.00 0.00 H new ATOM 328 N SER A 23 -13.990 5.423 5.397 1.00 0.00 N ATOM 329 CA SER A 23 -14.302 5.492 6.814 1.00 0.00 C ATOM 330 C SER A 23 -14.975 6.828 7.137 1.00 0.00 C ATOM 331 O SER A 23 -15.900 6.881 7.946 1.00 0.00 O ATOM 332 CB SER A 23 -13.042 5.313 7.664 1.00 0.00 C ATOM 333 OG SER A 23 -12.179 6.444 7.584 1.00 0.00 O ATOM 0 H SER A 23 -13.002 5.286 5.184 1.00 0.00 H new ATOM 0 HA SER A 23 -14.988 4.680 7.054 1.00 0.00 H new ATOM 0 HB2 SER A 23 -13.326 5.147 8.703 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.505 4.423 7.334 1.00 0.00 H new ATOM 0 HG SER A 23 -12.225 6.827 6.683 1.00 0.00 H new ATOM 338 N GLN A 24 -14.484 7.874 6.488 1.00 0.00 N ATOM 339 CA GLN A 24 -15.027 9.206 6.696 1.00 0.00 C ATOM 340 C GLN A 24 -16.512 9.237 6.331 1.00 0.00 C ATOM 341 O GLN A 24 -17.324 9.797 7.065 1.00 0.00 O ATOM 342 CB GLN A 24 -14.243 10.248 5.897 1.00 0.00 C ATOM 343 CG GLN A 24 -13.336 11.073 6.813 1.00 0.00 C ATOM 344 CD GLN A 24 -13.539 12.572 6.578 1.00 0.00 C ATOM 345 OE1 GLN A 24 -13.805 13.023 5.477 1.00 0.00 O ATOM 346 NE2 GLN A 24 -13.399 13.315 7.673 1.00 0.00 N ATOM 0 H GLN A 24 -13.716 7.826 5.818 1.00 0.00 H new ATOM 0 HA GLN A 24 -14.928 9.457 7.752 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.642 9.751 5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.936 10.908 5.375 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -13.549 10.832 7.855 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -12.294 10.810 6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -13.176 12.872 8.564 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.515 14.327 7.621 1.00 0.00 H new ATOM 353 N THR A 25 -16.822 8.628 5.196 1.00 0.00 N ATOM 354 CA THR A 25 -18.195 8.580 4.723 1.00 0.00 C ATOM 355 C THR A 25 -19.124 8.081 5.832 1.00 0.00 C ATOM 356 O THR A 25 -20.191 8.649 6.055 1.00 0.00 O ATOM 357 CB THR A 25 -18.232 7.710 3.464 1.00 0.00 C ATOM 358 OG1 THR A 25 -18.000 8.629 2.401 1.00 0.00 O ATOM 359 CG2 THR A 25 -19.627 7.152 3.177 1.00 0.00 C ATOM 0 H THR A 25 -16.146 8.164 4.590 1.00 0.00 H new ATOM 0 HA THR A 25 -18.557 9.574 4.460 1.00 0.00 H new ATOM 0 HB THR A 25 -17.528 6.885 3.572 1.00 0.00 H new ATOM 0 HG1 THR A 25 -17.543 8.170 1.666 1.00 0.00 H new ATOM 0 HG21 THR A 25 -19.596 6.543 2.274 1.00 0.00 H new ATOM 0 HG22 THR A 25 -19.954 6.539 4.017 1.00 0.00 H new ATOM 0 HG23 THR A 25 -20.326 7.976 3.035 1.00 0.00 H new ATOM 367 N LEU A 26 -18.682 7.024 6.499 1.00 0.00 N ATOM 368 CA LEU A 26 -19.460 6.444 7.580 1.00 0.00 C ATOM 369 C LEU A 26 -18.820 6.814 8.920 1.00 0.00 C ATOM 370 O LEU A 26 -19.058 6.154 9.930 1.00 0.00 O ATOM 371 CB LEU A 26 -19.623 4.936 7.373 1.00 0.00 C ATOM 372 CG LEU A 26 -18.549 4.256 6.524 1.00 0.00 C ATOM 373 CD1 LEU A 26 -18.455 2.764 6.850 1.00 0.00 C ATOM 374 CD2 LEU A 26 -18.790 4.504 5.033 1.00 0.00 C ATOM 0 H LEU A 26 -17.796 6.555 6.311 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.470 6.854 7.584 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.643 4.455 8.351 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.593 4.756 6.909 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.585 4.700 6.772 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.684 2.304 6.232 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.201 2.637 7.902 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -19.414 2.286 6.648 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.012 4.009 4.451 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.764 4.104 4.750 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.766 5.575 4.834 1.00 0.00 H new ATOM 385 N ASN A 27 -18.022 7.871 8.885 1.00 0.00 N ATOM 386 CA ASN A 27 -17.345 8.338 10.085 1.00 0.00 C ATOM 387 C ASN A 27 -16.882 7.132 10.905 1.00 0.00 C ATOM 388 O ASN A 27 -16.818 7.200 12.131 1.00 0.00 O ATOM 389 CB ASN A 27 -18.286 9.171 10.958 1.00 0.00 C ATOM 390 CG ASN A 27 -17.664 10.528 11.292 1.00 0.00 C ATOM 391 OD1 ASN A 27 -16.456 10.698 11.313 1.00 0.00 O ATOM 392 ND2 ASN A 27 -18.554 11.482 11.552 1.00 0.00 N ATOM 0 H ASN A 27 -17.829 8.418 8.046 1.00 0.00 H new ATOM 0 HA ASN A 27 -16.499 8.953 9.779 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -19.234 9.319 10.440 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -18.507 8.631 11.879 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -18.239 12.423 11.786 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -19.552 11.272 11.517 1.00 0.00 H new ATOM 398 N THR A 28 -16.570 6.058 10.196 1.00 0.00 N ATOM 399 CA THR A 28 -16.114 4.840 10.843 1.00 0.00 C ATOM 400 C THR A 28 -14.635 4.955 11.215 1.00 0.00 C ATOM 401 O THR A 28 -13.928 5.823 10.704 1.00 0.00 O ATOM 402 CB THR A 28 -16.416 3.667 9.908 1.00 0.00 C ATOM 403 OG1 THR A 28 -17.030 2.698 10.753 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.146 2.974 9.410 1.00 0.00 C ATOM 0 H THR A 28 -16.624 6.006 9.179 1.00 0.00 H new ATOM 0 HA THR A 28 -16.640 4.670 11.782 1.00 0.00 H new ATOM 0 HB THR A 28 -16.995 4.023 9.055 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.260 1.904 10.227 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.416 2.149 8.750 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.532 3.689 8.863 1.00 0.00 H new ATOM 0 HG23 THR A 28 -14.584 2.589 10.261 1.00 0.00 H new ATOM 412 N PRO A 29 -14.199 4.045 12.127 1.00 0.00 N ATOM 413 CA PRO A 29 -12.817 4.036 12.575 1.00 0.00 C ATOM 414 C PRO A 29 -11.897 3.453 11.500 1.00 0.00 C ATOM 415 O PRO A 29 -12.226 2.444 10.878 1.00 0.00 O ATOM 416 CB PRO A 29 -12.824 3.223 13.858 1.00 0.00 C ATOM 417 CG PRO A 29 -14.114 2.419 13.835 1.00 0.00 C ATOM 418 CD PRO A 29 -15.008 3.003 12.755 1.00 0.00 C ATOM 0 HA PRO A 29 -12.427 5.037 12.758 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -11.955 2.566 13.909 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.784 3.873 14.732 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -13.906 1.369 13.631 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.609 2.463 14.805 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.305 2.243 12.033 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -15.924 3.414 13.179 1.00 0.00 H new ATOM 423 N GLN A 30 -10.761 4.111 11.317 1.00 0.00 N ATOM 424 CA GLN A 30 -9.791 3.671 10.330 1.00 0.00 C ATOM 425 C GLN A 30 -9.629 2.150 10.387 1.00 0.00 C ATOM 426 O GLN A 30 -9.759 1.469 9.371 1.00 0.00 O ATOM 427 CB GLN A 30 -8.447 4.374 10.529 1.00 0.00 C ATOM 428 CG GLN A 30 -7.954 4.994 9.221 1.00 0.00 C ATOM 429 CD GLN A 30 -7.465 3.917 8.252 1.00 0.00 C ATOM 430 OE1 GLN A 30 -6.526 3.185 8.518 1.00 0.00 O ATOM 431 NE2 GLN A 30 -8.155 3.859 7.115 1.00 0.00 N ATOM 0 H GLN A 30 -10.491 4.946 11.837 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.161 3.941 9.341 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.547 5.150 11.288 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.710 3.660 10.898 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.760 5.565 8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.145 5.695 9.429 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -8.931 4.502 6.956 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.908 3.172 6.403 1.00 0.00 H new ATOM 438 N PRO A 31 -9.341 1.649 11.618 1.00 0.00 N ATOM 439 CA PRO A 31 -9.160 0.221 11.821 1.00 0.00 C ATOM 440 C PRO A 31 -10.503 -0.510 11.800 1.00 0.00 C ATOM 441 O PRO A 31 -10.826 -1.250 12.728 1.00 0.00 O ATOM 442 CB PRO A 31 -8.439 0.103 13.154 1.00 0.00 C ATOM 443 CG PRO A 31 -8.656 1.428 13.865 1.00 0.00 C ATOM 444 CD PRO A 31 -9.181 2.425 12.844 1.00 0.00 C ATOM 0 HA PRO A 31 -8.580 -0.248 11.026 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -8.837 -0.725 13.741 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -7.377 -0.092 13.007 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -9.366 1.310 14.683 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.723 1.784 14.301 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.128 2.859 13.165 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -8.484 3.251 12.702 1.00 0.00 H new ATOM 449 N MET A 32 -11.251 -0.277 10.731 1.00 0.00 N ATOM 450 CA MET A 32 -12.552 -0.905 10.577 1.00 0.00 C ATOM 451 C MET A 32 -12.807 -1.286 9.117 1.00 0.00 C ATOM 452 O MET A 32 -13.244 -2.400 8.831 1.00 0.00 O ATOM 453 CB MET A 32 -13.643 0.057 11.052 1.00 0.00 C ATOM 454 CG MET A 32 -14.836 -0.708 11.630 1.00 0.00 C ATOM 455 SD MET A 32 -15.824 -1.387 10.308 1.00 0.00 S ATOM 456 CE MET A 32 -16.671 -2.687 11.191 1.00 0.00 C ATOM 0 H MET A 32 -10.981 0.338 9.963 1.00 0.00 H new ATOM 0 HA MET A 32 -12.570 -1.814 11.179 1.00 0.00 H new ATOM 0 HB2 MET A 32 -13.236 0.729 11.808 1.00 0.00 H new ATOM 0 HB3 MET A 32 -13.973 0.677 10.219 1.00 0.00 H new ATOM 0 HG2 MET A 32 -14.484 -1.509 12.281 1.00 0.00 H new ATOM 0 HG3 MET A 32 -15.443 -0.042 12.244 1.00 0.00 H new ATOM 0 HE1 MET A 32 -17.335 -3.217 10.509 1.00 0.00 H new ATOM 0 HE2 MET A 32 -15.940 -3.384 11.601 1.00 0.00 H new ATOM 0 HE3 MET A 32 -17.255 -2.254 12.003 1.00 0.00 H new ATOM 464 N ILE A 33 -12.525 -0.340 8.234 1.00 0.00 N ATOM 465 CA ILE A 33 -12.718 -0.563 6.812 1.00 0.00 C ATOM 466 C ILE A 33 -11.592 -1.454 6.281 1.00 0.00 C ATOM 467 O ILE A 33 -11.810 -2.268 5.386 1.00 0.00 O ATOM 468 CB ILE A 33 -12.847 0.770 6.072 1.00 0.00 C ATOM 469 CG1 ILE A 33 -14.107 1.520 6.509 1.00 0.00 C ATOM 470 CG2 ILE A 33 -12.800 0.565 4.557 1.00 0.00 C ATOM 471 CD1 ILE A 33 -15.336 0.611 6.445 1.00 0.00 C ATOM 0 H ILE A 33 -12.164 0.583 8.476 1.00 0.00 H new ATOM 0 HA ILE A 33 -13.654 -1.092 6.634 1.00 0.00 H new ATOM 0 HB ILE A 33 -11.992 1.391 6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -13.979 1.893 7.525 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.259 2.388 5.868 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -12.894 1.529 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.852 0.104 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -13.621 -0.084 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -16.218 1.169 6.761 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -15.476 0.259 5.423 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.191 -0.244 7.106 1.00 0.00 H new ATOM 482 N ASN A 34 -10.414 -1.268 6.856 1.00 0.00 N ATOM 483 CA ASN A 34 -9.253 -2.045 6.453 1.00 0.00 C ATOM 484 C ASN A 34 -9.557 -3.534 6.624 1.00 0.00 C ATOM 485 O ASN A 34 -9.209 -4.345 5.767 1.00 0.00 O ATOM 486 CB ASN A 34 -8.038 -1.707 7.319 1.00 0.00 C ATOM 487 CG ASN A 34 -7.464 -0.338 6.949 1.00 0.00 C ATOM 488 OD1 ASN A 34 -6.827 -0.159 5.924 1.00 0.00 O ATOM 489 ND2 ASN A 34 -7.724 0.616 7.839 1.00 0.00 N ATOM 0 H ASN A 34 -10.237 -0.591 7.598 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.032 -1.807 5.413 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.324 -1.713 8.371 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.272 -2.472 7.192 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.384 1.565 7.683 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -8.264 0.398 8.677 1.00 0.00 H new ATOM 495 N ALA A 35 -10.204 -3.850 7.737 1.00 0.00 N ATOM 496 CA ALA A 35 -10.559 -5.228 8.031 1.00 0.00 C ATOM 497 C ALA A 35 -11.418 -5.783 6.893 1.00 0.00 C ATOM 498 O ALA A 35 -11.178 -6.890 6.414 1.00 0.00 O ATOM 499 CB ALA A 35 -11.271 -5.294 9.384 1.00 0.00 C ATOM 0 H ALA A 35 -10.491 -3.175 8.446 1.00 0.00 H new ATOM 0 HA ALA A 35 -9.665 -5.848 8.102 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.537 -6.328 9.605 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -10.609 -4.916 10.163 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -12.175 -4.686 9.350 1.00 0.00 H new ATOM 505 N MET A 36 -12.399 -4.988 6.492 1.00 0.00 N ATOM 506 CA MET A 36 -13.293 -5.386 5.419 1.00 0.00 C ATOM 507 C MET A 36 -12.530 -5.557 4.104 1.00 0.00 C ATOM 508 O MET A 36 -12.666 -6.577 3.430 1.00 0.00 O ATOM 509 CB MET A 36 -14.383 -4.327 5.244 1.00 0.00 C ATOM 510 CG MET A 36 -14.930 -3.873 6.598 1.00 0.00 C ATOM 511 SD MET A 36 -16.689 -4.165 6.676 1.00 0.00 S ATOM 512 CE MET A 36 -17.291 -2.508 6.397 1.00 0.00 C ATOM 0 H MET A 36 -12.594 -4.070 6.891 1.00 0.00 H new ATOM 0 HA MET A 36 -13.743 -6.343 5.682 1.00 0.00 H new ATOM 0 HB2 MET A 36 -13.979 -3.470 4.705 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.194 -4.731 4.638 1.00 0.00 H new ATOM 0 HG2 MET A 36 -14.428 -4.412 7.401 1.00 0.00 H new ATOM 0 HG3 MET A 36 -14.722 -2.813 6.746 1.00 0.00 H new ATOM 0 HE1 MET A 36 -18.381 -2.509 6.414 1.00 0.00 H new ATOM 0 HE2 MET A 36 -16.917 -1.848 7.180 1.00 0.00 H new ATOM 0 HE3 MET A 36 -16.944 -2.153 5.427 1.00 0.00 H new ATOM 520 N LEU A 37 -11.744 -4.542 3.777 1.00 0.00 N ATOM 521 CA LEU A 37 -10.959 -4.567 2.554 1.00 0.00 C ATOM 522 C LEU A 37 -10.093 -5.828 2.534 1.00 0.00 C ATOM 523 O LEU A 37 -9.947 -6.469 1.495 1.00 0.00 O ATOM 524 CB LEU A 37 -10.160 -3.270 2.404 1.00 0.00 C ATOM 525 CG LEU A 37 -10.973 -2.017 2.072 1.00 0.00 C ATOM 526 CD1 LEU A 37 -10.207 -0.750 2.458 1.00 0.00 C ATOM 527 CD2 LEU A 37 -11.391 -2.009 0.601 1.00 0.00 C ATOM 0 H LEU A 37 -11.634 -3.697 4.337 1.00 0.00 H new ATOM 0 HA LEU A 37 -11.613 -4.615 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.617 -3.092 3.332 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.415 -3.414 1.621 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.887 -2.034 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.806 0.127 2.212 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -10.002 -0.761 3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.266 -0.712 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.967 -1.108 0.391 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -10.502 -2.026 -0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -12.002 -2.887 0.391 1.00 0.00 H new ATOM 538 N GLN A 38 -9.542 -6.147 3.696 1.00 0.00 N ATOM 539 CA GLN A 38 -8.694 -7.321 3.826 1.00 0.00 C ATOM 540 C GLN A 38 -9.493 -8.588 3.515 1.00 0.00 C ATOM 541 O GLN A 38 -9.022 -9.459 2.785 1.00 0.00 O ATOM 542 CB GLN A 38 -8.070 -7.394 5.220 1.00 0.00 C ATOM 543 CG GLN A 38 -6.562 -7.644 5.132 1.00 0.00 C ATOM 544 CD GLN A 38 -6.163 -8.879 5.942 1.00 0.00 C ATOM 545 OE1 GLN A 38 -6.933 -9.808 6.126 1.00 0.00 O ATOM 546 NE2 GLN A 38 -4.920 -8.839 6.413 1.00 0.00 N ATOM 0 H GLN A 38 -9.666 -5.613 4.556 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.881 -7.241 3.104 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -8.258 -6.464 5.756 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.542 -8.192 5.793 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -6.272 -7.779 4.090 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.023 -6.772 5.502 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.328 -8.031 6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.559 -9.617 6.965 1.00 0.00 H new ATOM 553 N GLN A 39 -10.687 -8.652 4.084 1.00 0.00 N ATOM 554 CA GLN A 39 -11.555 -9.798 3.877 1.00 0.00 C ATOM 555 C GLN A 39 -11.902 -9.941 2.393 1.00 0.00 C ATOM 556 O GLN A 39 -11.764 -11.022 1.821 1.00 0.00 O ATOM 557 CB GLN A 39 -12.823 -9.687 4.727 1.00 0.00 C ATOM 558 CG GLN A 39 -13.139 -11.018 5.414 1.00 0.00 C ATOM 559 CD GLN A 39 -14.199 -10.834 6.503 1.00 0.00 C ATOM 560 OE1 GLN A 39 -15.383 -11.044 6.296 1.00 0.00 O ATOM 561 NE2 GLN A 39 -13.708 -10.430 7.672 1.00 0.00 N ATOM 0 H GLN A 39 -11.074 -7.928 4.689 1.00 0.00 H new ATOM 0 HA GLN A 39 -11.021 -10.694 4.194 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.695 -8.907 5.478 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.662 -9.390 4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -13.492 -11.738 4.676 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -12.230 -11.430 5.852 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -12.706 -10.273 7.777 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -14.334 -10.278 8.463 1.00 0.00 H new ATOM 568 N LEU A 40 -12.344 -8.835 1.813 1.00 0.00 N ATOM 569 CA LEU A 40 -12.711 -8.823 0.407 1.00 0.00 C ATOM 570 C LEU A 40 -11.505 -9.246 -0.434 1.00 0.00 C ATOM 571 O LEU A 40 -11.653 -9.969 -1.418 1.00 0.00 O ATOM 572 CB LEU A 40 -13.287 -7.461 0.015 1.00 0.00 C ATOM 573 CG LEU A 40 -14.509 -6.996 0.809 1.00 0.00 C ATOM 574 CD1 LEU A 40 -14.848 -5.538 0.489 1.00 0.00 C ATOM 575 CD2 LEU A 40 -15.700 -7.926 0.576 1.00 0.00 C ATOM 0 H LEU A 40 -12.456 -7.941 2.291 1.00 0.00 H new ATOM 0 HA LEU A 40 -13.504 -9.546 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.502 -6.712 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.555 -7.492 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 40 -14.266 -7.045 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -15.720 -5.232 1.066 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -14.001 -4.902 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -15.064 -5.440 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -16.555 -7.573 1.152 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -15.954 -7.933 -0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -15.441 -8.936 0.894 1.00 0.00 H new ATOM 586 N GLU A 41 -10.339 -8.779 -0.015 1.00 0.00 N ATOM 587 CA GLU A 41 -9.108 -9.099 -0.718 1.00 0.00 C ATOM 588 C GLU A 41 -8.893 -10.614 -0.747 1.00 0.00 C ATOM 589 O GLU A 41 -8.685 -11.194 -1.811 1.00 0.00 O ATOM 590 CB GLU A 41 -7.912 -8.388 -0.081 1.00 0.00 C ATOM 591 CG GLU A 41 -6.625 -8.679 -0.856 1.00 0.00 C ATOM 592 CD GLU A 41 -5.515 -9.153 0.084 1.00 0.00 C ATOM 593 OE1 GLU A 41 -5.055 -10.299 -0.029 1.00 0.00 O ATOM 594 OE2 GLU A 41 -5.129 -8.283 0.955 1.00 0.00 O ATOM 0 H GLU A 41 -10.220 -8.181 0.803 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.195 -8.743 -1.745 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -8.093 -7.313 -0.059 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.799 -8.713 0.953 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.816 -9.440 -1.612 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.302 -7.781 -1.382 1.00 0.00 H new ATOM 600 N SER A 42 -8.950 -11.210 0.434 1.00 0.00 N ATOM 601 CA SER A 42 -8.763 -12.646 0.558 1.00 0.00 C ATOM 602 C SER A 42 -9.761 -13.382 -0.339 1.00 0.00 C ATOM 603 O SER A 42 -9.390 -14.311 -1.055 1.00 0.00 O ATOM 604 CB SER A 42 -8.921 -13.099 2.011 1.00 0.00 C ATOM 605 OG SER A 42 -8.311 -14.366 2.245 1.00 0.00 O ATOM 0 H SER A 42 -9.123 -10.725 1.314 1.00 0.00 H new ATOM 0 HA SER A 42 -7.749 -12.888 0.239 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.477 -12.355 2.673 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.981 -13.155 2.260 1.00 0.00 H new ATOM 0 HG SER A 42 -8.432 -14.619 3.184 1.00 0.00 H new ATOM 610 N MET A 43 -11.008 -12.939 -0.271 1.00 0.00 N ATOM 611 CA MET A 43 -12.062 -13.543 -1.068 1.00 0.00 C ATOM 612 C MET A 43 -11.841 -13.280 -2.559 1.00 0.00 C ATOM 613 O MET A 43 -11.896 -14.203 -3.371 1.00 0.00 O ATOM 614 CB MET A 43 -13.416 -12.972 -0.643 1.00 0.00 C ATOM 615 CG MET A 43 -13.842 -13.526 0.719 1.00 0.00 C ATOM 616 SD MET A 43 -15.599 -13.837 0.728 1.00 0.00 S ATOM 617 CE MET A 43 -15.675 -15.148 1.937 1.00 0.00 C ATOM 0 H MET A 43 -11.312 -12.168 0.324 1.00 0.00 H new ATOM 0 HA MET A 43 -12.045 -14.620 -0.902 1.00 0.00 H new ATOM 0 HB2 MET A 43 -13.357 -11.885 -0.595 1.00 0.00 H new ATOM 0 HB3 MET A 43 -14.169 -13.218 -1.391 1.00 0.00 H new ATOM 0 HG2 MET A 43 -13.300 -14.447 0.932 1.00 0.00 H new ATOM 0 HG3 MET A 43 -13.586 -12.817 1.506 1.00 0.00 H new ATOM 0 HE1 MET A 43 -16.710 -15.464 2.066 1.00 0.00 H new ATOM 0 HE2 MET A 43 -15.077 -15.993 1.595 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.284 -14.788 2.889 1.00 0.00 H new ATOM 625 N GLY A 44 -11.597 -12.017 -2.874 1.00 0.00 N ATOM 626 CA GLY A 44 -11.369 -11.620 -4.253 1.00 0.00 C ATOM 627 C GLY A 44 -12.547 -10.806 -4.791 1.00 0.00 C ATOM 628 O GLY A 44 -13.039 -11.071 -5.887 1.00 0.00 O ATOM 0 H GLY A 44 -11.552 -11.255 -2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.455 -11.030 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -11.222 -12.506 -4.871 1.00 0.00 H new ATOM 632 N LYS A 45 -12.964 -9.833 -3.997 1.00 0.00 N ATOM 633 CA LYS A 45 -14.076 -8.978 -4.380 1.00 0.00 C ATOM 634 C LYS A 45 -13.533 -7.652 -4.916 1.00 0.00 C ATOM 635 O LYS A 45 -13.787 -7.291 -6.064 1.00 0.00 O ATOM 636 CB LYS A 45 -15.055 -8.816 -3.216 1.00 0.00 C ATOM 637 CG LYS A 45 -15.142 -10.101 -2.390 1.00 0.00 C ATOM 638 CD LYS A 45 -15.824 -11.217 -3.184 1.00 0.00 C ATOM 639 CE LYS A 45 -16.659 -12.112 -2.266 1.00 0.00 C ATOM 640 NZ LYS A 45 -17.892 -12.555 -2.955 1.00 0.00 N ATOM 0 H LYS A 45 -12.553 -9.616 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.649 -9.438 -5.185 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.735 -7.991 -2.579 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -16.042 -8.558 -3.600 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.141 -10.418 -2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.698 -9.911 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.462 -10.783 -3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.071 -11.817 -3.696 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.073 -12.980 -1.963 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.918 -11.569 -1.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -18.447 -13.161 -2.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -18.458 -11.724 -3.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -17.639 -13.091 -3.810 1.00 0.00 H new ATOM 649 N ALA A 46 -12.794 -6.962 -4.059 1.00 0.00 N ATOM 650 CA ALA A 46 -12.213 -5.684 -4.432 1.00 0.00 C ATOM 651 C ALA A 46 -10.816 -5.913 -5.012 1.00 0.00 C ATOM 652 O ALA A 46 -10.352 -7.050 -5.091 1.00 0.00 O ATOM 653 CB ALA A 46 -12.192 -4.757 -3.215 1.00 0.00 C ATOM 0 H ALA A 46 -12.585 -7.264 -3.108 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.815 -5.200 -5.201 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.756 -3.798 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.210 -4.602 -2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.595 -5.209 -2.423 1.00 0.00 H new ATOM 659 N VAL A 47 -10.185 -4.816 -5.404 1.00 0.00 N ATOM 660 CA VAL A 47 -8.850 -4.884 -5.976 1.00 0.00 C ATOM 661 C VAL A 47 -7.983 -3.780 -5.366 1.00 0.00 C ATOM 662 O VAL A 47 -8.501 -2.784 -4.864 1.00 0.00 O ATOM 663 CB VAL A 47 -8.930 -4.808 -7.501 1.00 0.00 C ATOM 664 CG1 VAL A 47 -9.530 -6.090 -8.083 1.00 0.00 C ATOM 665 CG2 VAL A 47 -9.724 -3.578 -7.949 1.00 0.00 C ATOM 0 H VAL A 47 -10.573 -3.875 -5.337 1.00 0.00 H new ATOM 0 HA VAL A 47 -8.379 -5.837 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 47 -7.915 -4.709 -7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -9.576 -6.010 -9.169 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.907 -6.941 -7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -10.535 -6.234 -7.687 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.765 -3.548 -9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.736 -3.633 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.236 -2.676 -7.580 1.00 0.00 H new ATOM 675 N ARG A 48 -6.677 -3.996 -5.429 1.00 0.00 N ATOM 676 CA ARG A 48 -5.733 -3.031 -4.890 1.00 0.00 C ATOM 677 C ARG A 48 -5.379 -1.986 -5.949 1.00 0.00 C ATOM 678 O ARG A 48 -5.192 -2.319 -7.117 1.00 0.00 O ATOM 679 CB ARG A 48 -4.452 -3.721 -4.416 1.00 0.00 C ATOM 680 CG ARG A 48 -3.628 -2.793 -3.521 1.00 0.00 C ATOM 681 CD ARG A 48 -3.953 -3.027 -2.044 1.00 0.00 C ATOM 682 NE ARG A 48 -2.719 -2.919 -1.233 1.00 0.00 N ATOM 683 CZ ARG A 48 -2.532 -3.548 -0.053 1.00 0.00 C ATOM 684 NH1 ARG A 48 -3.497 -4.338 0.463 1.00 0.00 N ATOM 685 NH2 ARG A 48 -1.390 -3.380 0.588 1.00 0.00 N ATOM 0 H ARG A 48 -6.251 -4.824 -5.845 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.207 -2.543 -4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.705 -4.629 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -3.857 -4.023 -5.278 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.565 -2.963 -3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.832 -1.754 -3.782 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.687 -2.296 -1.704 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.400 -4.013 -1.913 1.00 0.00 H new ATOM 0 HE ARG A 48 -1.963 -2.333 -1.588 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -4.376 -4.464 -0.039 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -3.347 -4.809 1.355 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -0.665 -2.782 0.191 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.233 -3.848 1.481 1.00 0.00 H new ATOM 695 N ILE A 49 -5.299 -0.742 -5.501 1.00 0.00 N ATOM 696 CA ILE A 49 -4.971 0.356 -6.396 1.00 0.00 C ATOM 697 C ILE A 49 -3.660 1.001 -5.945 1.00 0.00 C ATOM 698 O ILE A 49 -3.325 0.974 -4.762 1.00 0.00 O ATOM 699 CB ILE A 49 -6.141 1.338 -6.489 1.00 0.00 C ATOM 700 CG1 ILE A 49 -7.310 0.727 -7.263 1.00 0.00 C ATOM 701 CG2 ILE A 49 -5.690 2.671 -7.090 1.00 0.00 C ATOM 702 CD1 ILE A 49 -6.855 0.216 -8.632 1.00 0.00 C ATOM 0 H ILE A 49 -5.455 -0.469 -4.531 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.813 -0.012 -7.410 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.496 1.543 -5.479 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.741 -0.094 -6.690 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -8.095 1.473 -7.392 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.540 3.351 -7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.914 3.109 -6.462 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.294 2.503 -8.092 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.706 -0.213 -9.161 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.447 1.044 -9.212 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.088 -0.547 -8.499 1.00 0.00 H new ATOM 713 N GLN A 50 -2.953 1.569 -6.911 1.00 0.00 N ATOM 714 CA GLN A 50 -1.686 2.220 -6.629 1.00 0.00 C ATOM 715 C GLN A 50 -1.808 3.731 -6.835 1.00 0.00 C ATOM 716 O GLN A 50 -2.642 4.189 -7.615 1.00 0.00 O ATOM 717 CB GLN A 50 -0.565 1.637 -7.491 1.00 0.00 C ATOM 718 CG GLN A 50 0.708 2.480 -7.380 1.00 0.00 C ATOM 719 CD GLN A 50 1.924 1.706 -7.893 1.00 0.00 C ATOM 720 OE1 GLN A 50 1.855 0.951 -8.848 1.00 0.00 O ATOM 721 NE2 GLN A 50 3.039 1.935 -7.205 1.00 0.00 N ATOM 0 H GLN A 50 -3.235 1.592 -7.891 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.430 2.035 -5.586 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -0.356 0.614 -7.179 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.887 1.593 -8.531 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.590 3.400 -7.952 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.868 2.769 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 50 3.027 2.580 -6.415 1.00 0.00 H new ATOM 0 HE22 GLN A 50 3.906 1.466 -7.468 1.00 0.00 H new ATOM 728 N GLU A 51 -0.964 4.465 -6.124 1.00 0.00 N ATOM 729 CA GLU A 51 -0.967 5.914 -6.220 1.00 0.00 C ATOM 730 C GLU A 51 0.254 6.396 -7.005 1.00 0.00 C ATOM 731 O GLU A 51 1.197 5.637 -7.222 1.00 0.00 O ATOM 732 CB GLU A 51 -1.015 6.555 -4.831 1.00 0.00 C ATOM 733 CG GLU A 51 -2.434 7.004 -4.483 1.00 0.00 C ATOM 734 CD GLU A 51 -2.479 8.508 -4.198 1.00 0.00 C ATOM 735 OE1 GLU A 51 -2.422 8.918 -3.030 1.00 0.00 O ATOM 736 OE2 GLU A 51 -2.577 9.258 -5.242 1.00 0.00 O ATOM 0 H GLU A 51 -0.273 4.082 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.864 6.222 -6.757 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.662 5.842 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.341 7.411 -4.798 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -3.107 6.766 -5.307 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.790 6.454 -3.612 1.00 0.00 H new ATOM 742 N GLU A 52 0.196 7.657 -7.412 1.00 0.00 N ATOM 743 CA GLU A 52 1.286 8.249 -8.168 1.00 0.00 C ATOM 744 C GLU A 52 2.629 7.922 -7.511 1.00 0.00 C ATOM 745 O GLU A 52 2.960 8.468 -6.461 1.00 0.00 O ATOM 746 CB GLU A 52 1.098 9.762 -8.307 1.00 0.00 C ATOM 747 CG GLU A 52 -0.001 10.086 -9.320 1.00 0.00 C ATOM 748 CD GLU A 52 0.579 10.778 -10.555 1.00 0.00 C ATOM 749 OE1 GLU A 52 1.325 11.759 -10.423 1.00 0.00 O ATOM 750 OE2 GLU A 52 0.229 10.261 -11.684 1.00 0.00 O ATOM 0 H GLU A 52 -0.588 8.284 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 52 1.281 7.821 -9.170 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.843 10.191 -7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.035 10.221 -8.622 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.508 9.168 -9.618 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.750 10.728 -8.857 1.00 0.00 H new ATOM 756 N PRO A 53 3.385 7.006 -8.175 1.00 0.00 N ATOM 757 CA PRO A 53 4.684 6.599 -7.667 1.00 0.00 C ATOM 758 C PRO A 53 5.732 7.688 -7.905 1.00 0.00 C ATOM 759 O PRO A 53 5.386 8.843 -8.155 1.00 0.00 O ATOM 760 CB PRO A 53 5.001 5.301 -8.392 1.00 0.00 C ATOM 761 CG PRO A 53 4.093 5.273 -9.611 1.00 0.00 C ATOM 762 CD PRO A 53 3.025 6.337 -9.422 1.00 0.00 C ATOM 0 HA PRO A 53 4.685 6.447 -6.588 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.050 5.263 -8.685 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.819 4.440 -7.749 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.666 5.465 -10.518 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.636 4.290 -9.724 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.011 7.037 -10.257 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.031 5.894 -9.361 1.00 0.00 H new ATOM 767 N ASP A 54 6.990 7.283 -7.818 1.00 0.00 N ATOM 768 CA ASP A 54 8.091 8.210 -8.021 1.00 0.00 C ATOM 769 C ASP A 54 8.394 8.316 -9.517 1.00 0.00 C ATOM 770 O ASP A 54 7.964 7.471 -10.302 1.00 0.00 O ATOM 771 CB ASP A 54 9.357 7.723 -7.315 1.00 0.00 C ATOM 772 CG ASP A 54 10.258 8.832 -6.766 1.00 0.00 C ATOM 773 OD1 ASP A 54 10.229 9.975 -7.246 1.00 0.00 O ATOM 774 OD2 ASP A 54 11.024 8.479 -5.790 1.00 0.00 O ATOM 0 H ASP A 54 7.272 6.325 -7.610 1.00 0.00 H new ATOM 0 HA ASP A 54 7.798 9.177 -7.611 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.068 7.070 -6.492 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.935 7.118 -8.014 1.00 0.00 H new ATOM 779 N GLY A 55 9.130 9.360 -9.866 1.00 0.00 N ATOM 780 CA GLY A 55 9.496 9.587 -11.254 1.00 0.00 C ATOM 781 C GLY A 55 10.923 10.129 -11.364 1.00 0.00 C ATOM 782 O GLY A 55 11.137 11.338 -11.303 1.00 0.00 O ATOM 0 H GLY A 55 9.483 10.059 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.413 8.655 -11.813 1.00 0.00 H new ATOM 0 HA3 GLY A 55 8.799 10.293 -11.707 1.00 0.00 H new ATOM 786 N CYS A 56 11.862 9.208 -11.523 1.00 0.00 N ATOM 787 CA CYS A 56 13.261 9.579 -11.642 1.00 0.00 C ATOM 788 C CYS A 56 14.069 8.314 -11.946 1.00 0.00 C ATOM 789 O CYS A 56 13.668 7.213 -11.572 1.00 0.00 O ATOM 790 CB CYS A 56 13.766 10.291 -10.386 1.00 0.00 C ATOM 791 SG CYS A 56 15.154 11.406 -10.813 1.00 0.00 S ATOM 0 H CYS A 56 11.681 8.205 -11.572 1.00 0.00 H new ATOM 0 HA CYS A 56 13.383 10.292 -12.457 1.00 0.00 H new ATOM 0 HB2 CYS A 56 12.956 10.862 -9.932 1.00 0.00 H new ATOM 0 HB3 CYS A 56 14.092 9.558 -9.648 1.00 0.00 H new ATOM 0 HG CYS A 56 15.574 12.007 -9.740 1.00 0.00 H new ATOM 796 N LEU A 57 15.191 8.515 -12.620 1.00 0.00 N ATOM 797 CA LEU A 57 16.058 7.406 -12.978 1.00 0.00 C ATOM 798 C LEU A 57 16.391 6.599 -11.722 1.00 0.00 C ATOM 799 O LEU A 57 16.948 7.135 -10.764 1.00 0.00 O ATOM 800 CB LEU A 57 17.291 7.911 -13.730 1.00 0.00 C ATOM 801 CG LEU A 57 17.208 7.874 -15.257 1.00 0.00 C ATOM 802 CD1 LEU A 57 17.052 6.439 -15.763 1.00 0.00 C ATOM 803 CD2 LEU A 57 16.090 8.785 -15.768 1.00 0.00 C ATOM 0 H LEU A 57 15.520 9.430 -12.928 1.00 0.00 H new ATOM 0 HA LEU A 57 15.549 6.731 -13.665 1.00 0.00 H new ATOM 0 HB2 LEU A 57 17.485 8.938 -13.421 1.00 0.00 H new ATOM 0 HB3 LEU A 57 18.150 7.317 -13.418 1.00 0.00 H new ATOM 0 HG LEU A 57 18.146 8.258 -15.659 1.00 0.00 H new ATOM 0 HD11 LEU A 57 16.995 6.441 -16.852 1.00 0.00 H new ATOM 0 HD12 LEU A 57 17.910 5.846 -15.445 1.00 0.00 H new ATOM 0 HD13 LEU A 57 16.140 6.006 -15.353 1.00 0.00 H new ATOM 0 HD21 LEU A 57 16.053 8.740 -16.856 1.00 0.00 H new ATOM 0 HD22 LEU A 57 15.136 8.454 -15.358 1.00 0.00 H new ATOM 0 HD23 LEU A 57 16.284 9.811 -15.454 1.00 0.00 H new ATOM 814 N SER A 58 16.037 5.324 -11.766 1.00 0.00 N ATOM 815 CA SER A 58 16.291 4.437 -10.643 1.00 0.00 C ATOM 816 C SER A 58 17.298 3.357 -11.045 1.00 0.00 C ATOM 817 O SER A 58 16.937 2.380 -11.698 1.00 0.00 O ATOM 818 CB SER A 58 14.996 3.794 -10.144 1.00 0.00 C ATOM 819 OG SER A 58 14.407 2.947 -11.126 1.00 0.00 O ATOM 0 H SER A 58 15.576 4.883 -12.562 1.00 0.00 H new ATOM 0 HA SER A 58 16.708 5.029 -9.829 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.202 3.216 -9.243 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.287 4.574 -9.867 1.00 0.00 H new ATOM 0 HG SER A 58 15.111 2.454 -11.597 1.00 0.00 H new ATOM 824 N GLY A 59 18.541 3.572 -10.640 1.00 0.00 N ATOM 825 CA GLY A 59 19.603 2.630 -10.951 1.00 0.00 C ATOM 826 C GLY A 59 19.843 2.552 -12.459 1.00 0.00 C ATOM 827 O GLY A 59 18.955 2.869 -13.250 1.00 0.00 O ATOM 0 H GLY A 59 18.837 4.385 -10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 59 20.521 2.933 -10.448 1.00 0.00 H new ATOM 0 HA3 GLY A 59 19.342 1.643 -10.569 1.00 0.00 H new ATOM 831 N SER A 60 21.048 2.130 -12.814 1.00 0.00 N ATOM 832 CA SER A 60 21.415 2.006 -14.214 1.00 0.00 C ATOM 833 C SER A 60 21.663 0.537 -14.563 1.00 0.00 C ATOM 834 O SER A 60 22.603 -0.075 -14.058 1.00 0.00 O ATOM 835 CB SER A 60 22.656 2.844 -14.532 1.00 0.00 C ATOM 836 OG SER A 60 22.316 4.149 -14.991 1.00 0.00 O ATOM 0 H SER A 60 21.783 1.870 -12.156 1.00 0.00 H new ATOM 0 HA SER A 60 20.590 2.381 -14.819 1.00 0.00 H new ATOM 0 HB2 SER A 60 23.278 2.924 -13.640 1.00 0.00 H new ATOM 0 HB3 SER A 60 23.251 2.336 -15.291 1.00 0.00 H new ATOM 0 HG SER A 60 23.135 4.652 -15.181 1.00 0.00 H new ATOM 841 N CYS A 61 20.802 0.014 -15.423 1.00 0.00 N ATOM 842 CA CYS A 61 20.915 -1.372 -15.846 1.00 0.00 C ATOM 843 C CYS A 61 20.400 -2.262 -14.713 1.00 0.00 C ATOM 844 O CYS A 61 19.414 -2.979 -14.881 1.00 0.00 O ATOM 845 CB CYS A 61 22.349 -1.727 -16.244 1.00 0.00 C ATOM 846 SG CYS A 61 22.389 -2.328 -17.972 1.00 0.00 S ATOM 0 H CYS A 61 20.023 0.525 -15.839 1.00 0.00 H new ATOM 0 HA CYS A 61 20.310 -1.534 -16.738 1.00 0.00 H new ATOM 0 HB2 CYS A 61 22.991 -0.852 -16.140 1.00 0.00 H new ATOM 0 HB3 CYS A 61 22.742 -2.493 -15.575 1.00 0.00 H new ATOM 0 HG CYS A 61 23.611 -2.624 -18.300 1.00 0.00 H new ATOM 851 N LYS A 62 21.091 -2.190 -13.584 1.00 0.00 N ATOM 852 CA LYS A 62 20.715 -2.980 -12.425 1.00 0.00 C ATOM 853 C LYS A 62 19.644 -2.233 -11.628 1.00 0.00 C ATOM 854 O LYS A 62 19.690 -1.009 -11.517 1.00 0.00 O ATOM 855 CB LYS A 62 21.953 -3.344 -11.602 1.00 0.00 C ATOM 856 CG LYS A 62 21.808 -4.735 -10.980 1.00 0.00 C ATOM 857 CD LYS A 62 22.311 -5.818 -11.938 1.00 0.00 C ATOM 858 CE LYS A 62 22.795 -7.047 -11.168 1.00 0.00 C ATOM 859 NZ LYS A 62 24.267 -7.172 -11.263 1.00 0.00 N ATOM 0 H LYS A 62 21.909 -1.596 -13.448 1.00 0.00 H new ATOM 0 HA LYS A 62 20.276 -3.928 -12.736 1.00 0.00 H new ATOM 0 HB2 LYS A 62 22.838 -3.316 -12.238 1.00 0.00 H new ATOM 0 HB3 LYS A 62 22.102 -2.604 -10.816 1.00 0.00 H new ATOM 0 HG2 LYS A 62 22.369 -4.781 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 62 20.763 -4.920 -10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 62 21.512 -6.104 -12.622 1.00 0.00 H new ATOM 0 HD3 LYS A 62 23.124 -5.422 -12.546 1.00 0.00 H new ATOM 0 HE2 LYS A 62 22.498 -6.969 -10.122 1.00 0.00 H new ATOM 0 HE3 LYS A 62 22.321 -7.944 -11.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 24.579 -8.012 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 24.544 -7.268 -12.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 24.714 -6.324 -10.860 1.00 0.00 H new ATOM 868 N SER A 63 18.705 -3.000 -11.095 1.00 0.00 N ATOM 869 CA SER A 63 17.624 -2.426 -10.312 1.00 0.00 C ATOM 870 C SER A 63 17.848 -2.707 -8.825 1.00 0.00 C ATOM 871 O SER A 63 18.669 -3.550 -8.466 1.00 0.00 O ATOM 872 CB SER A 63 16.268 -2.977 -10.758 1.00 0.00 C ATOM 873 OG SER A 63 15.891 -2.492 -12.043 1.00 0.00 O ATOM 0 H SER A 63 18.670 -4.015 -11.190 1.00 0.00 H new ATOM 0 HA SER A 63 17.619 -1.348 -10.475 1.00 0.00 H new ATOM 0 HB2 SER A 63 16.309 -4.066 -10.779 1.00 0.00 H new ATOM 0 HB3 SER A 63 15.507 -2.700 -10.029 1.00 0.00 H new ATOM 0 HG SER A 63 15.021 -2.868 -12.292 1.00 0.00 H new ATOM 878 N CYS A 64 17.106 -1.984 -8.000 1.00 0.00 N ATOM 879 CA CYS A 64 17.214 -2.144 -6.560 1.00 0.00 C ATOM 880 C CYS A 64 16.321 -3.312 -6.139 1.00 0.00 C ATOM 881 O CYS A 64 15.489 -3.776 -6.918 1.00 0.00 O ATOM 882 CB CYS A 64 16.855 -0.855 -5.819 1.00 0.00 C ATOM 883 SG CYS A 64 18.379 0.023 -5.313 1.00 0.00 S ATOM 0 H CYS A 64 16.427 -1.285 -8.301 1.00 0.00 H new ATOM 0 HA CYS A 64 18.248 -2.363 -6.292 1.00 0.00 H new ATOM 0 HB2 CYS A 64 16.252 -0.213 -6.461 1.00 0.00 H new ATOM 0 HB3 CYS A 64 16.251 -1.087 -4.942 1.00 0.00 H new ATOM 0 HG CYS A 64 18.062 1.117 -4.687 1.00 0.00 H new ATOM 888 N PRO A 65 16.528 -3.768 -4.874 1.00 0.00 N ATOM 889 CA PRO A 65 15.751 -4.873 -4.339 1.00 0.00 C ATOM 890 C PRO A 65 14.333 -4.424 -3.982 1.00 0.00 C ATOM 891 O PRO A 65 13.873 -3.380 -4.443 1.00 0.00 O ATOM 892 CB PRO A 65 16.539 -5.362 -3.135 1.00 0.00 C ATOM 893 CG PRO A 65 17.481 -4.227 -2.765 1.00 0.00 C ATOM 894 CD PRO A 65 17.504 -3.243 -3.922 1.00 0.00 C ATOM 0 HA PRO A 65 15.612 -5.678 -5.061 1.00 0.00 H new ATOM 0 HB2 PRO A 65 15.875 -5.604 -2.306 1.00 0.00 H new ATOM 0 HB3 PRO A 65 17.095 -6.269 -3.374 1.00 0.00 H new ATOM 0 HG2 PRO A 65 17.145 -3.735 -1.852 1.00 0.00 H new ATOM 0 HG3 PRO A 65 18.483 -4.611 -2.570 1.00 0.00 H new ATOM 0 HD2 PRO A 65 17.236 -2.239 -3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 65 18.497 -3.178 -4.367 1.00 0.00 H new ATOM 899 N GLU A 66 13.678 -5.237 -3.166 1.00 0.00 N ATOM 900 CA GLU A 66 12.320 -4.937 -2.743 1.00 0.00 C ATOM 901 C GLU A 66 12.226 -4.951 -1.216 1.00 0.00 C ATOM 902 O GLU A 66 12.258 -6.014 -0.598 1.00 0.00 O ATOM 903 CB GLU A 66 11.323 -5.917 -3.363 1.00 0.00 C ATOM 904 CG GLU A 66 11.687 -7.363 -3.017 1.00 0.00 C ATOM 905 CD GLU A 66 12.012 -8.164 -4.279 1.00 0.00 C ATOM 906 OE1 GLU A 66 13.173 -8.189 -4.715 1.00 0.00 O ATOM 907 OE2 GLU A 66 11.009 -8.775 -4.810 1.00 0.00 O ATOM 0 H GLU A 66 14.062 -6.103 -2.787 1.00 0.00 H new ATOM 0 HA GLU A 66 12.062 -3.938 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.318 -5.695 -3.003 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.309 -5.791 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.544 -7.375 -2.344 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.859 -7.833 -2.487 1.00 0.00 H new ATOM 913 N GLY A 67 12.110 -3.758 -0.651 1.00 0.00 N ATOM 914 CA GLY A 67 12.010 -3.620 0.792 1.00 0.00 C ATOM 915 C GLY A 67 11.966 -2.146 1.200 1.00 0.00 C ATOM 916 O GLY A 67 12.952 -1.605 1.697 1.00 0.00 O ATOM 0 H GLY A 67 12.083 -2.878 -1.167 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.113 -4.127 1.148 1.00 0.00 H new ATOM 0 HA3 GLY A 67 12.861 -4.107 1.267 1.00 0.00 H new ATOM 920 N LYS A 68 10.809 -1.537 0.975 1.00 0.00 N ATOM 921 CA LYS A 68 10.623 -0.137 1.313 1.00 0.00 C ATOM 922 C LYS A 68 9.126 0.174 1.370 1.00 0.00 C ATOM 923 O LYS A 68 8.328 -0.470 0.691 1.00 0.00 O ATOM 924 CB LYS A 68 11.400 0.757 0.343 1.00 0.00 C ATOM 925 CG LYS A 68 10.903 0.571 -1.091 1.00 0.00 C ATOM 926 CD LYS A 68 10.016 1.742 -1.519 1.00 0.00 C ATOM 927 CE LYS A 68 8.774 1.245 -2.263 1.00 0.00 C ATOM 928 NZ LYS A 68 8.729 1.808 -3.631 1.00 0.00 N ATOM 0 H LYS A 68 9.992 -1.989 0.563 1.00 0.00 H new ATOM 0 HA LYS A 68 11.032 0.074 2.301 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.290 1.801 0.637 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.463 0.521 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.754 0.488 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.343 -0.361 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.714 2.314 -0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 68 10.583 2.417 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.784 0.156 -2.312 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.876 1.532 -1.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.880 1.461 -4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 8.698 2.846 -3.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.577 1.513 -4.156 1.00 0.00 H new ATOM 937 N ALA A 69 8.791 1.163 2.186 1.00 0.00 N ATOM 938 CA ALA A 69 7.404 1.567 2.341 1.00 0.00 C ATOM 939 C ALA A 69 6.771 1.740 0.959 1.00 0.00 C ATOM 940 O ALA A 69 7.227 2.558 0.160 1.00 0.00 O ATOM 941 CB ALA A 69 7.335 2.847 3.178 1.00 0.00 C ATOM 0 H ALA A 69 9.456 1.696 2.746 1.00 0.00 H new ATOM 0 HA ALA A 69 6.838 0.801 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.294 3.150 3.294 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.771 2.664 4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.890 3.640 2.677 1.00 0.00 H new ATOM 947 N CYS A 70 5.728 0.958 0.718 1.00 0.00 N ATOM 948 CA CYS A 70 5.028 1.015 -0.554 1.00 0.00 C ATOM 949 C CYS A 70 4.123 2.249 -0.549 1.00 0.00 C ATOM 950 O CYS A 70 3.661 2.682 0.506 1.00 0.00 O ATOM 951 CB CYS A 70 4.240 -0.268 -0.823 1.00 0.00 C ATOM 952 SG CYS A 70 5.392 -1.664 -1.096 1.00 0.00 S ATOM 0 H CYS A 70 5.351 0.282 1.382 1.00 0.00 H new ATOM 0 HA CYS A 70 5.750 1.098 -1.366 1.00 0.00 H new ATOM 0 HB2 CYS A 70 3.585 -0.486 0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 70 3.602 -0.136 -1.697 1.00 0.00 H new ATOM 0 HG CYS A 70 6.527 -1.410 -0.516 1.00 0.00 H new ATOM 957 N LEU A 71 3.898 2.782 -1.741 1.00 0.00 N ATOM 958 CA LEU A 71 3.057 3.958 -1.888 1.00 0.00 C ATOM 959 C LEU A 71 1.688 3.682 -1.263 1.00 0.00 C ATOM 960 O LEU A 71 1.314 2.528 -1.063 1.00 0.00 O ATOM 961 CB LEU A 71 2.988 4.387 -3.355 1.00 0.00 C ATOM 962 CG LEU A 71 4.133 5.273 -3.849 1.00 0.00 C ATOM 963 CD1 LEU A 71 4.169 6.599 -3.086 1.00 0.00 C ATOM 964 CD2 LEU A 71 5.470 4.534 -3.776 1.00 0.00 C ATOM 0 H LEU A 71 4.283 2.421 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 71 3.488 4.804 -1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.956 3.490 -3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.049 4.918 -3.514 1.00 0.00 H new ATOM 0 HG LEU A 71 3.953 5.509 -4.898 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.992 7.210 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.228 7.129 -3.234 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.312 6.404 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.267 5.187 -4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.671 4.247 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 71 5.426 3.641 -4.399 1.00 0.00 H new ATOM 975 N ARG A 72 0.977 4.762 -0.972 1.00 0.00 N ATOM 976 CA ARG A 72 -0.343 4.651 -0.375 1.00 0.00 C ATOM 977 C ARG A 72 -1.302 3.944 -1.334 1.00 0.00 C ATOM 978 O ARG A 72 -1.980 4.592 -2.130 1.00 0.00 O ATOM 979 CB ARG A 72 -0.906 6.030 -0.024 1.00 0.00 C ATOM 980 CG ARG A 72 -0.765 6.316 1.472 1.00 0.00 C ATOM 981 CD ARG A 72 -2.133 6.543 2.119 1.00 0.00 C ATOM 982 NE ARG A 72 -2.346 7.988 2.358 1.00 0.00 N ATOM 983 CZ ARG A 72 -1.746 8.687 3.345 1.00 0.00 C ATOM 984 NH1 ARG A 72 -0.891 8.080 4.194 1.00 0.00 N ATOM 985 NH2 ARG A 72 -2.010 9.975 3.466 1.00 0.00 N ATOM 0 H ARG A 72 1.291 5.718 -1.139 1.00 0.00 H new ATOM 0 HA ARG A 72 -0.245 4.068 0.540 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.382 6.797 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.957 6.081 -0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -0.262 5.481 1.960 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.138 7.195 1.620 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.919 6.153 1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -2.194 5.997 3.061 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.985 8.486 1.739 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -0.693 7.084 4.093 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -0.443 8.617 4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -2.658 10.426 2.820 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.566 10.519 4.206 1.00 0.00 H new ATOM 995 N GLU A 73 -1.330 2.624 -1.226 1.00 0.00 N ATOM 996 CA GLU A 73 -2.195 1.822 -2.074 1.00 0.00 C ATOM 997 C GLU A 73 -3.662 2.171 -1.817 1.00 0.00 C ATOM 998 O GLU A 73 -4.065 2.371 -0.672 1.00 0.00 O ATOM 999 CB GLU A 73 -1.941 0.327 -1.859 1.00 0.00 C ATOM 1000 CG GLU A 73 -0.516 -0.050 -2.266 1.00 0.00 C ATOM 1001 CD GLU A 73 0.238 -0.685 -1.096 1.00 0.00 C ATOM 1002 OE1 GLU A 73 0.440 -0.032 -0.061 1.00 0.00 O ATOM 1003 OE2 GLU A 73 0.619 -1.902 -1.289 1.00 0.00 O ATOM 0 H GLU A 73 -0.767 2.090 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.964 2.051 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.103 0.074 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.655 -0.255 -2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.545 -0.745 -3.105 1.00 0.00 H new ATOM 0 HG3 GLU A 73 0.016 0.838 -2.607 1.00 0.00 H new ATOM 1009 N TRP A 74 -4.421 2.233 -2.901 1.00 0.00 N ATOM 1010 CA TRP A 74 -5.835 2.555 -2.807 1.00 0.00 C ATOM 1011 C TRP A 74 -6.627 1.260 -2.992 1.00 0.00 C ATOM 1012 O TRP A 74 -6.059 0.222 -3.326 1.00 0.00 O ATOM 1013 CB TRP A 74 -6.218 3.640 -3.815 1.00 0.00 C ATOM 1014 CG TRP A 74 -5.929 5.065 -3.337 1.00 0.00 C ATOM 1015 CD1 TRP A 74 -5.649 5.476 -2.094 1.00 0.00 C ATOM 1016 CD2 TRP A 74 -5.903 6.256 -4.152 1.00 0.00 C ATOM 1017 NE1 TRP A 74 -5.445 6.840 -2.046 1.00 0.00 N ATOM 1018 CE2 TRP A 74 -5.604 7.330 -3.338 1.00 0.00 C ATOM 1019 CE3 TRP A 74 -6.124 6.421 -5.530 1.00 0.00 C ATOM 1020 CZ2 TRP A 74 -5.500 8.644 -3.810 1.00 0.00 C ATOM 1021 CZ3 TRP A 74 -6.016 7.740 -5.985 1.00 0.00 C ATOM 1022 CH2 TRP A 74 -5.716 8.833 -5.179 1.00 0.00 C ATOM 0 H TRP A 74 -4.084 2.066 -3.849 1.00 0.00 H new ATOM 0 HA TRP A 74 -6.072 2.971 -1.828 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.678 3.464 -4.745 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -7.281 3.552 -4.041 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -5.590 4.822 -1.236 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -5.219 7.388 -1.216 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -6.359 5.596 -6.186 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.265 9.468 -3.152 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -6.177 7.922 -7.037 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -5.650 9.822 -5.608 1.00 0.00 H new ATOM 1032 N TRP A 75 -7.930 1.363 -2.768 1.00 0.00 N ATOM 1033 CA TRP A 75 -8.807 0.213 -2.906 1.00 0.00 C ATOM 1034 C TRP A 75 -9.905 0.573 -3.910 1.00 0.00 C ATOM 1035 O TRP A 75 -10.300 1.733 -4.012 1.00 0.00 O ATOM 1036 CB TRP A 75 -9.358 -0.222 -1.547 1.00 0.00 C ATOM 1037 CG TRP A 75 -8.300 -0.792 -0.600 1.00 0.00 C ATOM 1038 CD1 TRP A 75 -7.583 -0.140 0.325 1.00 0.00 C ATOM 1039 CD2 TRP A 75 -7.869 -2.167 -0.521 1.00 0.00 C ATOM 1040 NE1 TRP A 75 -6.724 -0.990 0.991 1.00 0.00 N ATOM 1041 CE2 TRP A 75 -6.903 -2.262 0.460 1.00 0.00 C ATOM 1042 CE3 TRP A 75 -8.279 -3.293 -1.256 1.00 0.00 C ATOM 1043 CZ2 TRP A 75 -6.267 -3.463 0.796 1.00 0.00 C ATOM 1044 CZ3 TRP A 75 -7.635 -4.486 -0.907 1.00 0.00 C ATOM 1045 CH2 TRP A 75 -6.661 -4.598 0.078 1.00 0.00 C ATOM 0 H TRP A 75 -8.399 2.226 -2.492 1.00 0.00 H new ATOM 0 HA TRP A 75 -8.257 -0.648 -3.286 1.00 0.00 H new ATOM 0 HB2 TRP A 75 -9.835 0.634 -1.069 1.00 0.00 H new ATOM 0 HB3 TRP A 75 -10.133 -0.973 -1.704 1.00 0.00 H new ATOM 0 HD1 TRP A 75 -7.667 0.918 0.524 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -6.077 -0.732 1.736 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -9.032 -3.242 -2.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -5.513 -3.511 1.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -7.915 -5.382 -1.441 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -6.210 -5.557 0.288 1.00 0.00 H new ATOM 1055 N ALA A 76 -10.364 -0.443 -4.624 1.00 0.00 N ATOM 1056 CA ALA A 76 -11.409 -0.249 -5.615 1.00 0.00 C ATOM 1057 C ALA A 76 -12.145 -1.570 -5.840 1.00 0.00 C ATOM 1058 O ALA A 76 -11.751 -2.604 -5.302 1.00 0.00 O ATOM 1059 CB ALA A 76 -10.793 0.302 -6.903 1.00 0.00 C ATOM 0 H ALA A 76 -10.032 -1.403 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 76 -12.140 0.479 -5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -11.576 0.448 -7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -10.308 1.256 -6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -10.056 -0.405 -7.285 1.00 0.00 H new ATOM 1065 N LEU A 77 -13.203 -1.495 -6.635 1.00 0.00 N ATOM 1066 CA LEU A 77 -13.998 -2.672 -6.937 1.00 0.00 C ATOM 1067 C LEU A 77 -13.394 -3.394 -8.144 1.00 0.00 C ATOM 1068 O LEU A 77 -12.677 -2.789 -8.939 1.00 0.00 O ATOM 1069 CB LEU A 77 -15.469 -2.293 -7.120 1.00 0.00 C ATOM 1070 CG LEU A 77 -16.070 -1.395 -6.037 1.00 0.00 C ATOM 1071 CD1 LEU A 77 -17.591 -1.312 -6.175 1.00 0.00 C ATOM 1072 CD2 LEU A 77 -15.646 -1.861 -4.642 1.00 0.00 C ATOM 0 H LEU A 77 -13.528 -0.636 -7.079 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.975 -3.372 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -15.577 -1.791 -8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -16.056 -3.210 -7.171 1.00 0.00 H new ATOM 0 HG LEU A 77 -15.679 -0.387 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.993 -0.668 -5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -17.846 -0.900 -7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -18.020 -2.309 -6.079 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -16.086 -1.206 -3.890 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.990 -2.883 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.560 -1.827 -4.562 1.00 0.00 H new ATOM 1083 N ARG A 78 -13.708 -4.678 -8.243 1.00 0.00 N ATOM 1084 CA ARG A 78 -13.205 -5.488 -9.338 1.00 0.00 C ATOM 1085 C ARG A 78 -13.864 -5.070 -10.654 1.00 0.00 C ATOM 1086 O ARG A 78 -13.574 -3.998 -11.184 1.00 0.00 O ATOM 1087 CB ARG A 78 -13.473 -6.974 -9.093 1.00 0.00 C ATOM 1088 CG ARG A 78 -13.114 -7.808 -10.324 1.00 0.00 C ATOM 1089 CD ARG A 78 -11.600 -7.842 -10.541 1.00 0.00 C ATOM 1090 NE ARG A 78 -11.299 -8.050 -11.975 1.00 0.00 N ATOM 1091 CZ ARG A 78 -10.095 -8.441 -12.446 1.00 0.00 C ATOM 1092 NH1 ARG A 78 -9.069 -8.669 -11.600 1.00 0.00 N ATOM 1093 NH2 ARG A 78 -9.937 -8.596 -13.749 1.00 0.00 N ATOM 0 H ARG A 78 -14.304 -5.176 -7.582 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.128 -5.329 -9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -12.892 -7.315 -8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -14.524 -7.121 -8.844 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.490 -8.824 -10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -13.602 -7.391 -11.205 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.154 -6.908 -10.199 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.157 -8.642 -9.948 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.047 -7.888 -12.649 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.199 -8.546 -10.596 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.163 -8.964 -11.965 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -10.718 -8.421 -14.382 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.034 -8.891 -14.122 1.00 0.00 H new TER 1103 ARG A 78