USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 751 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 74 ASN : amide:sc= -5.28! C(o=-7.5!,f=-7.4!) USER MOD Set 1.2: A 96 GLN : amide:sc= -2.25 K(o=-7.5,f=-9.8!) USER MOD Set 2.1: A 46 THR OG1 : rot 126:sc= -2.87 USER MOD Set 2.2: A 69 GLN : amide:sc= -13.5! C(o=-31!,f=-34!) USER MOD Set 2.3: A 71 MET CE :methyl -141:sc= -14.7! (180deg=-12.1!) USER MOD Single : A 19 LYS NZ :NH3+ -105:sc= -0.407 (180deg=-1.34!) USER MOD Single : A 25 LYS NZ :NH3+ 171:sc= -0.0141 (180deg=-0.213) USER MOD Single : A 26 GLN : amide:sc= -0.675 K(o=-0.68,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 50:sc= 1.27 USER MOD Single : A 42 SER OG : rot 88:sc= -0.282 USER MOD Single : A 51 ASN : amide:sc= -0.408 K(o=-0.41,f=-3.1!) USER MOD Single : A 52 MET CE :methyl 145:sc= -2.32 (180deg=-3.31!) USER MOD Single : A 53 MET CE :methyl -153:sc= -7.25! (180deg=-10.2!) USER MOD Single : A 54 HIS : no HD1:sc= -0.756 K(o=-0.76,f=-1.5) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot -100:sc= -0.659 USER MOD Single : A 63 LYS NZ :NH3+ 144:sc= -0.374 (180deg=-1.67!) USER MOD Single : A 65 ASN : amide:sc= -0.0261 K(o=-0.026,f=-0.67) USER MOD Single : A 72 SER OG : rot 180:sc= -0.101 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0162 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0719 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 86 CYS SG : rot 81:sc= -1.18 USER MOD Single : A 87 GLN : amide:sc= -2.4! C(o=-2.4!,f=-1.7!) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= -0.42 (180deg=-1.49!) USER MOD Single : A 95 ASN : amide:sc= -0.635 X(o=-0.64,f=-0.18) USER MOD Single : A 97 SER OG : rot 180:sc= -0.0134 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.17) USER MOD Single : B -1 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.093 -9.585 -8.715 1.00 0.00 N ATOM 2 CA GLU A 17 -14.077 -9.400 -9.744 1.00 0.00 C ATOM 3 C GLU A 17 -13.163 -8.226 -9.408 1.00 0.00 C ATOM 4 O GLU A 17 -13.599 -7.231 -8.829 1.00 0.00 O ATOM 5 CB GLU A 17 -14.736 -9.174 -11.105 1.00 0.00 C ATOM 6 CG GLU A 17 -13.743 -9.051 -12.249 1.00 0.00 C ATOM 7 CD GLU A 17 -14.365 -8.465 -13.503 1.00 0.00 C ATOM 8 OE1 GLU A 17 -15.177 -9.163 -14.144 1.00 0.00 O ATOM 9 OE2 GLU A 17 -14.040 -7.308 -13.841 1.00 0.00 O ATOM 0 HA GLU A 17 -13.472 -10.305 -9.785 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -15.415 -10.001 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.340 -8.268 -11.061 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.909 -8.424 -11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.334 -10.035 -12.477 1.00 0.00 H new ATOM 16 N PHE A 18 -11.893 -8.350 -9.782 1.00 0.00 N ATOM 17 CA PHE A 18 -10.909 -7.303 -9.528 1.00 0.00 C ATOM 18 C PHE A 18 -11.275 -6.020 -10.264 1.00 0.00 C ATOM 19 O PHE A 18 -11.828 -6.063 -11.364 1.00 0.00 O ATOM 20 CB PHE A 18 -9.521 -7.763 -9.976 1.00 0.00 C ATOM 21 CG PHE A 18 -8.724 -8.433 -8.897 1.00 0.00 C ATOM 22 CD1 PHE A 18 -8.953 -9.759 -8.573 1.00 0.00 C ATOM 23 CD2 PHE A 18 -7.737 -7.740 -8.216 1.00 0.00 C ATOM 24 CE1 PHE A 18 -8.215 -10.383 -7.588 1.00 0.00 C ATOM 25 CE2 PHE A 18 -6.995 -8.357 -7.228 1.00 0.00 C ATOM 26 CZ PHE A 18 -7.233 -9.682 -6.913 1.00 0.00 C ATOM 0 H PHE A 18 -11.520 -9.168 -10.264 1.00 0.00 H new ATOM 0 HA PHE A 18 -10.901 -7.104 -8.456 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.630 -8.452 -10.814 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -8.964 -6.901 -10.343 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -9.718 -10.312 -9.097 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.545 -6.706 -8.460 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -8.404 -11.418 -7.345 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.230 -7.805 -6.702 1.00 0.00 H new ATOM 0 HZ PHE A 18 -6.654 -10.168 -6.142 1.00 0.00 H new ATOM 36 N LYS A 19 -10.951 -4.881 -9.664 1.00 0.00 N ATOM 37 CA LYS A 19 -11.237 -3.595 -10.283 1.00 0.00 C ATOM 38 C LYS A 19 -10.439 -2.472 -9.631 1.00 0.00 C ATOM 39 O LYS A 19 -10.521 -2.256 -8.423 1.00 0.00 O ATOM 40 CB LYS A 19 -12.729 -3.283 -10.202 1.00 0.00 C ATOM 41 CG LYS A 19 -13.261 -3.238 -8.781 1.00 0.00 C ATOM 42 CD LYS A 19 -13.594 -1.817 -8.349 1.00 0.00 C ATOM 43 CE LYS A 19 -14.632 -1.182 -9.261 1.00 0.00 C ATOM 44 NZ LYS A 19 -14.026 -0.176 -10.177 1.00 0.00 N ATOM 0 H LYS A 19 -10.493 -4.822 -8.755 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.940 -3.662 -11.330 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.918 -2.323 -10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.281 -4.036 -10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.153 -3.859 -8.707 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.521 -3.661 -8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.966 -1.826 -7.324 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.687 -1.213 -8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.123 -1.958 -9.848 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.403 -0.704 -8.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.264 0.781 -9.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.993 -0.292 -10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.398 -0.314 -11.139 1.00 0.00 H new ATOM 58 N ASP A 20 -9.680 -1.754 -10.450 1.00 0.00 N ATOM 59 CA ASP A 20 -8.875 -0.634 -9.974 1.00 0.00 C ATOM 60 C ASP A 20 -9.769 0.549 -9.628 1.00 0.00 C ATOM 61 O ASP A 20 -10.636 0.931 -10.415 1.00 0.00 O ATOM 62 CB ASP A 20 -7.853 -0.226 -11.037 1.00 0.00 C ATOM 63 CG ASP A 20 -8.508 0.158 -12.349 1.00 0.00 C ATOM 64 OD1 ASP A 20 -8.717 -0.739 -13.194 1.00 0.00 O ATOM 65 OD2 ASP A 20 -8.812 1.356 -12.533 1.00 0.00 O ATOM 0 H ASP A 20 -9.605 -1.928 -11.452 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.342 -0.946 -9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.264 0.614 -10.668 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.160 -1.050 -11.207 1.00 0.00 H new ATOM 70 N VAL A 21 -9.561 1.130 -8.450 1.00 0.00 N ATOM 71 CA VAL A 21 -10.359 2.266 -8.014 1.00 0.00 C ATOM 72 C VAL A 21 -9.515 3.529 -7.932 1.00 0.00 C ATOM 73 O VAL A 21 -8.416 3.520 -7.378 1.00 0.00 O ATOM 74 CB VAL A 21 -11.016 2.007 -6.645 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.964 3.141 -6.281 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.748 0.673 -6.648 1.00 0.00 C ATOM 0 H VAL A 21 -8.848 0.832 -7.784 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.143 2.403 -8.759 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.231 1.965 -5.890 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.418 2.939 -5.311 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.409 4.078 -6.234 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.745 3.219 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.206 0.507 -5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.522 0.685 -7.415 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.041 -0.130 -6.858 1.00 0.00 H new ATOM 86 N PHE A 22 -10.035 4.615 -8.490 1.00 0.00 N ATOM 87 CA PHE A 22 -9.329 5.887 -8.484 1.00 0.00 C ATOM 88 C PHE A 22 -10.177 6.975 -7.838 1.00 0.00 C ATOM 89 O PHE A 22 -11.143 7.457 -8.430 1.00 0.00 O ATOM 90 CB PHE A 22 -8.954 6.291 -9.912 1.00 0.00 C ATOM 91 CG PHE A 22 -7.518 6.702 -10.061 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.514 6.004 -9.410 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.169 7.784 -10.854 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.195 6.378 -9.542 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.847 8.162 -10.990 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.860 7.455 -10.331 1.00 0.00 C ATOM 0 H PHE A 22 -10.944 4.639 -8.952 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.418 5.768 -7.898 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.156 5.455 -10.582 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.594 7.115 -10.228 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.769 5.156 -8.791 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.939 8.338 -11.371 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.423 5.826 -9.026 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.586 9.007 -11.609 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.826 7.747 -10.435 1.00 0.00 H new ATOM 106 N ILE A 23 -9.809 7.360 -6.622 1.00 0.00 N ATOM 107 CA ILE A 23 -10.537 8.391 -5.897 1.00 0.00 C ATOM 108 C ILE A 23 -9.702 9.661 -5.768 1.00 0.00 C ATOM 109 O ILE A 23 -8.839 9.762 -4.897 1.00 0.00 O ATOM 110 CB ILE A 23 -10.943 7.910 -4.491 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.696 6.580 -4.585 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.786 8.964 -3.785 1.00 0.00 C ATOM 113 CD1 ILE A 23 -13.125 6.719 -5.068 1.00 0.00 C ATOM 0 H ILE A 23 -9.011 6.973 -6.118 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.438 8.607 -6.471 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.040 7.753 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.157 5.915 -5.260 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.699 6.105 -3.604 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.062 8.605 -2.794 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.212 9.886 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.688 9.157 -4.365 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.593 5.735 -5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.681 7.357 -4.381 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.131 7.165 -6.063 1.00 0.00 H new ATOM 125 N GLU A 24 -9.973 10.628 -6.635 1.00 0.00 N ATOM 126 CA GLU A 24 -9.256 11.896 -6.611 1.00 0.00 C ATOM 127 C GLU A 24 -9.820 12.798 -5.522 1.00 0.00 C ATOM 128 O GLU A 24 -10.945 13.288 -5.629 1.00 0.00 O ATOM 129 CB GLU A 24 -9.352 12.589 -7.971 1.00 0.00 C ATOM 130 CG GLU A 24 -8.985 11.689 -9.140 1.00 0.00 C ATOM 131 CD GLU A 24 -10.064 11.640 -10.203 1.00 0.00 C ATOM 132 OE1 GLU A 24 -10.762 12.660 -10.387 1.00 0.00 O ATOM 133 OE2 GLU A 24 -10.214 10.583 -10.850 1.00 0.00 O ATOM 0 H GLU A 24 -10.684 10.558 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.206 11.697 -6.395 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.369 12.956 -8.111 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.696 13.459 -7.973 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.056 12.042 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.798 10.680 -8.772 1.00 0.00 H new ATOM 140 N LYS A 25 -9.041 13.004 -4.467 1.00 0.00 N ATOM 141 CA LYS A 25 -9.473 13.837 -3.353 1.00 0.00 C ATOM 142 C LYS A 25 -8.398 14.846 -2.970 1.00 0.00 C ATOM 143 O LYS A 25 -7.413 15.022 -3.686 1.00 0.00 O ATOM 144 CB LYS A 25 -9.821 12.959 -2.148 1.00 0.00 C ATOM 145 CG LYS A 25 -8.626 12.230 -1.555 1.00 0.00 C ATOM 146 CD LYS A 25 -8.750 12.093 -0.046 1.00 0.00 C ATOM 147 CE LYS A 25 -7.396 11.855 0.602 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.790 10.565 0.168 1.00 0.00 N ATOM 0 H LYS A 25 -8.108 12.606 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.359 14.389 -3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.275 13.581 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.570 12.226 -2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.541 11.241 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.711 12.770 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.199 12.996 0.367 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.419 11.266 0.192 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.724 12.675 0.349 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.507 11.857 1.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.809 10.510 0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.338 9.774 0.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.800 10.509 -0.870 1.00 0.00 H new ATOM 162 N GLN A 26 -8.592 15.499 -1.831 1.00 0.00 N ATOM 163 CA GLN A 26 -7.640 16.483 -1.343 1.00 0.00 C ATOM 164 C GLN A 26 -6.912 15.949 -0.118 1.00 0.00 C ATOM 165 O GLN A 26 -7.192 14.846 0.350 1.00 0.00 O ATOM 166 CB GLN A 26 -8.353 17.793 -1.001 1.00 0.00 C ATOM 167 CG GLN A 26 -8.718 18.622 -2.222 1.00 0.00 C ATOM 168 CD GLN A 26 -9.765 17.949 -3.090 1.00 0.00 C ATOM 169 OE1 GLN A 26 -9.450 17.388 -4.138 1.00 0.00 O ATOM 170 NE2 GLN A 26 -11.018 18.005 -2.656 1.00 0.00 N ATOM 0 H GLN A 26 -9.403 15.363 -1.228 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.911 16.678 -2.129 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.260 17.568 -0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.713 18.386 -0.347 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.089 19.595 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.822 18.804 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.234 18.481 -1.780 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.765 17.572 -3.198 1.00 0.00 H new ATOM 179 N LYS A 27 -5.979 16.735 0.399 1.00 0.00 N ATOM 180 CA LYS A 27 -5.218 16.331 1.571 1.00 0.00 C ATOM 181 C LYS A 27 -6.019 16.559 2.836 1.00 0.00 C ATOM 182 O LYS A 27 -7.006 17.296 2.838 1.00 0.00 O ATOM 183 CB LYS A 27 -3.900 17.093 1.637 1.00 0.00 C ATOM 184 CG LYS A 27 -3.174 17.132 0.309 1.00 0.00 C ATOM 185 CD LYS A 27 -2.417 15.842 0.053 1.00 0.00 C ATOM 186 CE LYS A 27 -1.121 16.101 -0.692 1.00 0.00 C ATOM 187 NZ LYS A 27 -1.265 15.880 -2.156 1.00 0.00 N ATOM 0 H LYS A 27 -5.732 17.652 0.027 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.003 15.266 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.092 18.113 1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.255 16.630 2.384 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.891 17.300 -0.494 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.479 17.972 0.297 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.201 15.350 1.002 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.041 15.160 -0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.797 17.126 -0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.342 15.447 -0.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.357 16.068 -2.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.549 14.895 -2.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.990 16.522 -2.534 1.00 0.00 H new ATOM 201 N GLY A 28 -5.599 15.907 3.908 1.00 0.00 N ATOM 202 CA GLY A 28 -6.305 16.036 5.166 1.00 0.00 C ATOM 203 C GLY A 28 -7.749 15.578 5.055 1.00 0.00 C ATOM 204 O GLY A 28 -8.558 15.843 5.943 1.00 0.00 O ATOM 0 H GLY A 28 -4.785 15.293 3.931 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.796 15.449 5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.278 17.076 5.492 1.00 0.00 H new ATOM 208 N GLU A 29 -8.070 14.880 3.964 1.00 0.00 N ATOM 209 CA GLU A 29 -9.419 14.382 3.749 1.00 0.00 C ATOM 210 C GLU A 29 -9.392 12.874 3.562 1.00 0.00 C ATOM 211 O GLU A 29 -10.190 12.315 2.812 1.00 0.00 O ATOM 212 CB GLU A 29 -10.060 15.060 2.536 1.00 0.00 C ATOM 213 CG GLU A 29 -11.297 15.874 2.876 1.00 0.00 C ATOM 214 CD GLU A 29 -12.259 15.989 1.711 1.00 0.00 C ATOM 215 OE1 GLU A 29 -11.952 16.738 0.759 1.00 0.00 O ATOM 216 OE2 GLU A 29 -13.319 15.330 1.749 1.00 0.00 O ATOM 0 H GLU A 29 -7.411 14.650 3.220 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.021 14.618 4.626 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.325 15.712 2.064 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.327 14.298 1.804 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.809 15.414 3.721 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.995 16.872 3.192 1.00 0.00 H new ATOM 223 N ILE A 30 -8.456 12.241 4.269 1.00 0.00 N ATOM 224 CA ILE A 30 -8.255 10.788 4.244 1.00 0.00 C ATOM 225 C ILE A 30 -8.970 10.095 3.083 1.00 0.00 C ATOM 226 O ILE A 30 -8.350 9.749 2.077 1.00 0.00 O ATOM 227 CB ILE A 30 -8.696 10.137 5.575 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.872 10.887 6.194 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.532 10.087 6.552 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.985 9.968 6.635 1.00 0.00 C ATOM 0 H ILE A 30 -7.805 12.728 4.885 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.184 10.648 4.101 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.020 9.119 5.358 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.520 11.461 7.051 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.263 11.602 5.470 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.859 9.626 7.484 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.721 9.500 6.122 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.181 11.099 6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.794 10.557 7.067 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.360 9.412 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.606 9.270 7.381 1.00 0.00 H new ATOM 242 N LEU A 31 -10.272 9.900 3.236 1.00 0.00 N ATOM 243 CA LEU A 31 -11.091 9.249 2.214 1.00 0.00 C ATOM 244 C LEU A 31 -12.507 9.040 2.736 1.00 0.00 C ATOM 245 O LEU A 31 -13.487 9.270 2.028 1.00 0.00 O ATOM 246 CB LEU A 31 -10.486 7.900 1.809 1.00 0.00 C ATOM 247 CG LEU A 31 -10.558 7.583 0.312 1.00 0.00 C ATOM 248 CD1 LEU A 31 -9.177 7.251 -0.234 1.00 0.00 C ATOM 249 CD2 LEU A 31 -11.524 6.435 0.054 1.00 0.00 C ATOM 0 H LEU A 31 -10.792 10.185 4.066 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.120 9.895 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.442 7.879 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.998 7.110 2.358 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.928 8.467 -0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.250 7.029 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.513 8.102 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.777 6.383 0.291 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.562 6.224 -1.015 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -11.184 5.547 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.519 6.711 0.405 1.00 0.00 H new ATOM 261 N GLY A 32 -12.598 8.612 3.989 1.00 0.00 N ATOM 262 CA GLY A 32 -13.889 8.387 4.613 1.00 0.00 C ATOM 263 C GLY A 32 -14.452 6.999 4.363 1.00 0.00 C ATOM 264 O GLY A 32 -15.524 6.861 3.776 1.00 0.00 O ATOM 0 H GLY A 32 -11.796 8.416 4.588 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.796 8.544 5.688 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.596 9.129 4.243 1.00 0.00 H new ATOM 268 N VAL A 33 -13.747 5.967 4.828 1.00 0.00 N ATOM 269 CA VAL A 33 -14.215 4.591 4.663 1.00 0.00 C ATOM 270 C VAL A 33 -13.729 3.699 5.804 1.00 0.00 C ATOM 271 O VAL A 33 -12.723 3.989 6.449 1.00 0.00 O ATOM 272 CB VAL A 33 -13.802 3.979 3.294 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.653 5.065 2.238 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.520 3.159 3.401 1.00 0.00 C ATOM 0 H VAL A 33 -12.857 6.056 5.318 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.304 4.635 4.688 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.601 3.303 2.989 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.364 4.613 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.602 5.587 2.117 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.886 5.774 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.267 2.750 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.708 3.797 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.668 2.343 4.109 1.00 0.00 H new ATOM 284 N VAL A 34 -14.457 2.614 6.044 1.00 0.00 N ATOM 285 CA VAL A 34 -14.109 1.674 7.103 1.00 0.00 C ATOM 286 C VAL A 34 -13.865 0.280 6.542 1.00 0.00 C ATOM 287 O VAL A 34 -14.664 -0.236 5.762 1.00 0.00 O ATOM 288 CB VAL A 34 -15.211 1.600 8.172 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.754 0.760 9.354 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.608 2.998 8.620 1.00 0.00 C ATOM 0 H VAL A 34 -15.294 2.363 5.518 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.192 2.042 7.563 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.087 1.120 7.736 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.548 0.719 10.100 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.523 -0.250 9.015 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.863 1.207 9.796 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.389 2.929 9.377 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.740 3.506 9.040 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.980 3.562 7.765 1.00 0.00 H new ATOM 300 N ILE A 35 -12.752 -0.323 6.943 1.00 0.00 N ATOM 301 CA ILE A 35 -12.395 -1.654 6.481 1.00 0.00 C ATOM 302 C ILE A 35 -12.356 -2.654 7.633 1.00 0.00 C ATOM 303 O ILE A 35 -12.188 -2.275 8.792 1.00 0.00 O ATOM 304 CB ILE A 35 -11.034 -1.654 5.769 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.089 -0.635 6.396 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.214 -1.375 4.284 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.636 -1.004 6.241 1.00 0.00 C ATOM 0 H ILE A 35 -12.081 0.092 7.589 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.168 -1.956 5.774 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.588 -2.642 5.886 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.261 0.340 5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.322 -0.537 7.456 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.241 -1.378 3.793 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.846 -2.146 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.684 -0.401 4.151 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.015 -0.240 6.708 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.451 -1.965 6.721 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.390 -1.075 5.182 1.00 0.00 H new ATOM 319 N VAL A 36 -12.514 -3.932 7.303 1.00 0.00 N ATOM 320 CA VAL A 36 -12.498 -4.992 8.306 1.00 0.00 C ATOM 321 C VAL A 36 -11.938 -6.288 7.723 1.00 0.00 C ATOM 322 O VAL A 36 -11.752 -6.403 6.516 1.00 0.00 O ATOM 323 CB VAL A 36 -13.909 -5.260 8.862 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.444 -4.028 9.577 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.853 -5.686 7.745 1.00 0.00 C ATOM 0 H VAL A 36 -12.655 -4.259 6.347 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.855 -4.652 9.118 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.845 -6.074 9.584 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.442 -4.236 9.963 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.781 -3.771 10.403 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.492 -3.194 8.877 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.845 -5.871 8.158 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.913 -4.895 6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.478 -6.598 7.280 1.00 0.00 H new ATOM 335 N GLU A 37 -11.671 -7.260 8.588 1.00 0.00 N ATOM 336 CA GLU A 37 -11.132 -8.543 8.147 1.00 0.00 C ATOM 337 C GLU A 37 -12.108 -9.254 7.213 1.00 0.00 C ATOM 338 O GLU A 37 -13.293 -9.380 7.516 1.00 0.00 O ATOM 339 CB GLU A 37 -10.817 -9.431 9.352 1.00 0.00 C ATOM 340 CG GLU A 37 -9.384 -9.305 9.842 1.00 0.00 C ATOM 341 CD GLU A 37 -9.195 -9.864 11.238 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.935 -10.800 11.609 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.307 -9.366 11.962 1.00 0.00 O ATOM 0 H GLU A 37 -11.818 -7.186 9.595 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.210 -8.351 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.495 -9.177 10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.012 -10.470 9.088 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.721 -9.827 9.152 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.091 -8.255 9.832 1.00 0.00 H new ATOM 350 N SER A 38 -11.597 -9.712 6.074 1.00 0.00 N ATOM 351 CA SER A 38 -12.416 -10.406 5.087 1.00 0.00 C ATOM 352 C SER A 38 -12.848 -11.783 5.583 1.00 0.00 C ATOM 353 O SER A 38 -12.213 -12.793 5.274 1.00 0.00 O ATOM 354 CB SER A 38 -11.653 -10.544 3.769 1.00 0.00 C ATOM 355 OG SER A 38 -10.622 -11.510 3.872 1.00 0.00 O ATOM 0 H SER A 38 -10.616 -9.614 5.812 1.00 0.00 H new ATOM 0 HA SER A 38 -13.314 -9.809 4.925 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.343 -10.828 2.974 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.226 -9.581 3.491 1.00 0.00 H new ATOM 0 HG SER A 38 -10.984 -12.335 4.258 1.00 0.00 H new ATOM 361 N GLY A 39 -13.934 -11.818 6.350 1.00 0.00 N ATOM 362 CA GLY A 39 -14.435 -13.081 6.870 1.00 0.00 C ATOM 363 C GLY A 39 -15.323 -13.815 5.883 1.00 0.00 C ATOM 364 O GLY A 39 -15.755 -14.937 6.146 1.00 0.00 O ATOM 0 H GLY A 39 -14.476 -10.997 6.621 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.592 -13.719 7.136 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.995 -12.894 7.786 1.00 0.00 H new ATOM 368 N TRP A 40 -15.584 -13.186 4.743 1.00 0.00 N ATOM 369 CA TRP A 40 -16.410 -13.781 3.696 1.00 0.00 C ATOM 370 C TRP A 40 -15.856 -15.149 3.290 1.00 0.00 C ATOM 371 O TRP A 40 -15.040 -15.733 4.002 1.00 0.00 O ATOM 372 CB TRP A 40 -16.426 -12.851 2.485 1.00 0.00 C ATOM 373 CG TRP A 40 -15.068 -12.679 1.873 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.862 -12.831 2.501 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.772 -12.331 0.519 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.841 -12.604 1.617 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.371 -12.294 0.396 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.555 -12.049 -0.603 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.737 -11.987 -0.797 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.922 -11.741 -1.794 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.525 -11.713 -1.882 1.00 0.00 C ATOM 0 H TRP A 40 -15.232 -12.255 4.518 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.424 -13.917 4.073 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.111 -13.248 1.736 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.812 -11.877 2.785 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.734 -13.092 3.541 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.846 -12.658 1.835 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.633 -12.071 -0.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.660 -11.965 -0.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.515 -11.519 -2.669 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.059 -11.470 -2.826 1.00 0.00 H new ATOM 392 N GLY A 41 -16.281 -15.650 2.131 1.00 0.00 N ATOM 393 CA GLY A 41 -15.786 -16.931 1.657 1.00 0.00 C ATOM 394 C GLY A 41 -14.270 -17.005 1.706 1.00 0.00 C ATOM 395 O GLY A 41 -13.694 -18.086 1.820 1.00 0.00 O ATOM 0 H GLY A 41 -16.955 -15.194 1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.208 -17.731 2.265 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -16.125 -17.095 0.634 1.00 0.00 H new ATOM 399 N SER A 42 -13.632 -15.837 1.624 1.00 0.00 N ATOM 400 CA SER A 42 -12.179 -15.728 1.664 1.00 0.00 C ATOM 401 C SER A 42 -11.570 -16.026 0.313 1.00 0.00 C ATOM 402 O SER A 42 -10.594 -16.770 0.198 1.00 0.00 O ATOM 403 CB SER A 42 -11.572 -16.637 2.732 1.00 0.00 C ATOM 404 OG SER A 42 -12.507 -16.919 3.760 1.00 0.00 O ATOM 0 H SER A 42 -14.111 -14.942 1.528 1.00 0.00 H new ATOM 0 HA SER A 42 -11.945 -14.697 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.240 -17.569 2.274 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.690 -16.160 3.160 1.00 0.00 H new ATOM 0 HG SER A 42 -13.034 -17.708 3.515 1.00 0.00 H new ATOM 410 N ILE A 43 -12.135 -15.406 -0.702 1.00 0.00 N ATOM 411 CA ILE A 43 -11.647 -15.553 -2.052 1.00 0.00 C ATOM 412 C ILE A 43 -10.208 -15.059 -2.131 1.00 0.00 C ATOM 413 O ILE A 43 -9.351 -15.662 -2.775 1.00 0.00 O ATOM 414 CB ILE A 43 -12.523 -14.751 -3.006 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.971 -15.216 -2.895 1.00 0.00 C ATOM 416 CG2 ILE A 43 -12.018 -14.890 -4.419 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.945 -14.302 -3.591 1.00 0.00 C ATOM 0 H ILE A 43 -12.942 -14.789 -0.612 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.682 -16.605 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.478 -13.697 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -14.057 -16.217 -3.318 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.242 -15.290 -1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.653 -14.312 -5.091 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.995 -14.519 -4.478 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -12.041 -15.940 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.957 -14.691 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.886 -13.306 -3.153 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.698 -14.247 -4.651 1.00 0.00 H new ATOM 429 N LEU A 44 -9.966 -13.958 -1.430 1.00 0.00 N ATOM 430 CA LEU A 44 -8.652 -13.340 -1.346 1.00 0.00 C ATOM 431 C LEU A 44 -8.522 -12.655 0.015 1.00 0.00 C ATOM 432 O LEU A 44 -9.284 -11.739 0.324 1.00 0.00 O ATOM 433 CB LEU A 44 -8.450 -12.314 -2.464 1.00 0.00 C ATOM 434 CG LEU A 44 -9.218 -12.579 -3.762 1.00 0.00 C ATOM 435 CD1 LEU A 44 -10.650 -12.076 -3.655 1.00 0.00 C ATOM 436 CD2 LEU A 44 -8.509 -11.928 -4.941 1.00 0.00 C ATOM 0 H LEU A 44 -10.685 -13.466 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.889 -14.110 -1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.740 -11.333 -2.087 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.386 -12.265 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.248 -13.656 -3.928 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.176 -12.275 -4.589 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -11.156 -12.589 -2.837 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -10.645 -11.003 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.068 -12.126 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.447 -10.852 -4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.504 -12.340 -5.034 1.00 0.00 H new ATOM 448 N PRO A 45 -7.579 -13.099 0.862 1.00 0.00 N ATOM 449 CA PRO A 45 -7.397 -12.525 2.200 1.00 0.00 C ATOM 450 C PRO A 45 -7.034 -11.044 2.175 1.00 0.00 C ATOM 451 O PRO A 45 -5.888 -10.678 1.921 1.00 0.00 O ATOM 452 CB PRO A 45 -6.253 -13.351 2.800 1.00 0.00 C ATOM 453 CG PRO A 45 -5.570 -13.977 1.633 1.00 0.00 C ATOM 454 CD PRO A 45 -6.638 -14.201 0.603 1.00 0.00 C ATOM 0 HA PRO A 45 -8.321 -12.569 2.777 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.567 -12.721 3.366 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.632 -14.108 3.487 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.784 -13.328 1.246 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.097 -14.917 1.916 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.237 -14.161 -0.410 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.114 -15.175 0.719 1.00 0.00 H new ATOM 462 N THR A 46 -8.022 -10.198 2.461 1.00 0.00 N ATOM 463 CA THR A 46 -7.819 -8.751 2.494 1.00 0.00 C ATOM 464 C THR A 46 -8.836 -8.097 3.437 1.00 0.00 C ATOM 465 O THR A 46 -9.333 -8.745 4.359 1.00 0.00 O ATOM 466 CB THR A 46 -7.920 -8.151 1.086 1.00 0.00 C ATOM 467 OG1 THR A 46 -9.258 -7.800 0.780 1.00 0.00 O ATOM 468 CG2 THR A 46 -7.424 -9.075 -0.007 1.00 0.00 C ATOM 0 H THR A 46 -8.975 -10.492 2.674 1.00 0.00 H new ATOM 0 HA THR A 46 -6.816 -8.552 2.870 1.00 0.00 H new ATOM 0 HB THR A 46 -7.277 -7.271 1.109 1.00 0.00 H new ATOM 0 HG1 THR A 46 -9.296 -6.859 0.510 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.527 -8.583 -0.974 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.375 -9.316 0.168 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.013 -9.992 -0.003 1.00 0.00 H new ATOM 476 N VAL A 47 -9.145 -6.817 3.214 1.00 0.00 N ATOM 477 CA VAL A 47 -10.102 -6.108 4.066 1.00 0.00 C ATOM 478 C VAL A 47 -11.413 -5.828 3.330 1.00 0.00 C ATOM 479 O VAL A 47 -11.456 -5.813 2.102 1.00 0.00 O ATOM 480 CB VAL A 47 -9.527 -4.780 4.589 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.674 -5.017 5.828 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.724 -4.072 3.508 1.00 0.00 C ATOM 0 H VAL A 47 -8.751 -6.256 2.459 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.301 -6.766 4.912 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.361 -4.134 4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.276 -4.066 6.183 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.285 -5.469 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.849 -5.685 5.580 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.328 -3.136 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.899 -4.710 3.191 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.369 -3.862 2.655 1.00 0.00 H new ATOM 492 N ILE A 48 -12.484 -5.613 4.096 1.00 0.00 N ATOM 493 CA ILE A 48 -13.803 -5.344 3.521 1.00 0.00 C ATOM 494 C ILE A 48 -14.341 -3.978 3.933 1.00 0.00 C ATOM 495 O ILE A 48 -14.339 -3.635 5.113 1.00 0.00 O ATOM 496 CB ILE A 48 -14.855 -6.394 3.961 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.214 -7.560 4.709 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.632 -6.905 2.765 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.231 -8.467 5.369 1.00 0.00 C ATOM 0 H ILE A 48 -12.464 -5.620 5.116 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.654 -5.384 2.442 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.542 -5.897 4.645 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.611 -8.144 4.013 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.536 -7.170 5.468 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.365 -7.641 3.095 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.145 -6.073 2.282 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.946 -7.369 2.057 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.715 -9.277 5.885 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.817 -7.894 6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.893 -8.884 4.610 1.00 0.00 H new ATOM 511 N ILE A 49 -14.853 -3.224 2.963 1.00 0.00 N ATOM 512 CA ILE A 49 -15.439 -1.936 3.242 1.00 0.00 C ATOM 513 C ILE A 49 -16.736 -2.142 3.998 1.00 0.00 C ATOM 514 O ILE A 49 -17.784 -2.408 3.411 1.00 0.00 O ATOM 515 CB ILE A 49 -15.703 -1.165 1.948 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.403 -1.038 1.164 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.289 0.199 2.248 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.556 -0.290 -0.135 1.00 0.00 C ATOM 0 H ILE A 49 -14.869 -3.492 1.979 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.745 -1.351 3.845 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.430 -1.710 1.346 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.663 -0.529 1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.014 -2.035 0.957 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.469 0.731 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.230 0.081 2.786 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.590 0.768 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.592 -0.238 -0.640 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.272 -0.810 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.915 0.719 0.066 1.00 0.00 H new ATOM 530 N ALA A 50 -16.638 -2.062 5.310 1.00 0.00 N ATOM 531 CA ALA A 50 -17.774 -2.285 6.180 1.00 0.00 C ATOM 532 C ALA A 50 -18.483 -0.990 6.565 1.00 0.00 C ATOM 533 O ALA A 50 -19.492 -1.017 7.267 1.00 0.00 O ATOM 534 CB ALA A 50 -17.305 -3.029 7.412 1.00 0.00 C ATOM 0 H ALA A 50 -15.772 -1.841 5.801 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.508 -2.881 5.637 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.152 -3.203 8.076 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.872 -3.985 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.553 -2.435 7.931 1.00 0.00 H new ATOM 540 N ASN A 51 -17.963 0.141 6.102 1.00 0.00 N ATOM 541 CA ASN A 51 -18.576 1.425 6.409 1.00 0.00 C ATOM 542 C ASN A 51 -17.949 2.546 5.589 1.00 0.00 C ATOM 543 O ASN A 51 -16.837 2.411 5.082 1.00 0.00 O ATOM 544 CB ASN A 51 -18.459 1.731 7.904 1.00 0.00 C ATOM 545 CG ASN A 51 -19.809 1.815 8.591 1.00 0.00 C ATOM 546 OD1 ASN A 51 -20.853 1.760 7.942 1.00 0.00 O ATOM 547 ND2 ASN A 51 -19.793 1.950 9.913 1.00 0.00 N ATOM 0 H ASN A 51 -17.128 0.194 5.519 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.632 1.363 6.144 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.859 0.957 8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.929 2.674 8.037 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.670 2.012 10.430 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -18.904 1.991 10.411 1.00 0.00 H new ATOM 554 N MET A 52 -18.677 3.650 5.462 1.00 0.00 N ATOM 555 CA MET A 52 -18.197 4.798 4.701 1.00 0.00 C ATOM 556 C MET A 52 -18.832 6.089 5.205 1.00 0.00 C ATOM 557 O MET A 52 -19.994 6.104 5.610 1.00 0.00 O ATOM 558 CB MET A 52 -18.496 4.608 3.215 1.00 0.00 C ATOM 559 CG MET A 52 -17.352 5.023 2.303 1.00 0.00 C ATOM 560 SD MET A 52 -17.102 3.882 0.928 1.00 0.00 S ATOM 561 CE MET A 52 -18.789 3.400 0.567 1.00 0.00 C ATOM 0 H MET A 52 -19.601 3.774 5.876 1.00 0.00 H new ATOM 0 HA MET A 52 -17.118 4.872 4.839 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.733 3.560 3.032 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.384 5.185 2.955 1.00 0.00 H new ATOM 0 HG2 MET A 52 -17.551 6.020 1.910 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.434 5.088 2.887 1.00 0.00 H new ATOM 0 HE1 MET A 52 -18.903 3.252 -0.507 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.021 2.471 1.088 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.470 4.183 0.900 1.00 0.00 H new ATOM 571 N MET A 53 -18.060 7.170 5.180 1.00 0.00 N ATOM 572 CA MET A 53 -18.544 8.470 5.636 1.00 0.00 C ATOM 573 C MET A 53 -19.811 8.878 4.888 1.00 0.00 C ATOM 574 O MET A 53 -20.594 9.693 5.378 1.00 0.00 O ATOM 575 CB MET A 53 -17.461 9.533 5.447 1.00 0.00 C ATOM 576 CG MET A 53 -16.421 9.547 6.555 1.00 0.00 C ATOM 577 SD MET A 53 -15.651 11.164 6.768 1.00 0.00 S ATOM 578 CE MET A 53 -13.918 10.712 6.825 1.00 0.00 C ATOM 0 H MET A 53 -17.095 7.173 4.849 1.00 0.00 H new ATOM 0 HA MET A 53 -18.784 8.388 6.696 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.961 9.364 4.493 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.933 10.514 5.391 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.890 9.247 7.492 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.650 8.809 6.333 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.368 11.453 7.404 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.812 9.734 7.294 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.518 10.674 5.812 1.00 0.00 H new ATOM 588 N HIS A 54 -20.010 8.308 3.703 1.00 0.00 N ATOM 589 CA HIS A 54 -21.183 8.619 2.895 1.00 0.00 C ATOM 590 C HIS A 54 -21.198 10.096 2.513 1.00 0.00 C ATOM 591 O HIS A 54 -22.200 10.788 2.698 1.00 0.00 O ATOM 592 CB HIS A 54 -22.462 8.260 3.655 1.00 0.00 C ATOM 593 CG HIS A 54 -23.712 8.464 2.854 1.00 0.00 C ATOM 594 ND1 HIS A 54 -24.595 9.496 3.089 1.00 0.00 N ATOM 595 CD2 HIS A 54 -24.223 7.761 1.816 1.00 0.00 C ATOM 596 CE1 HIS A 54 -25.597 9.418 2.230 1.00 0.00 C ATOM 597 NE2 HIS A 54 -25.393 8.376 1.447 1.00 0.00 N ATOM 0 H HIS A 54 -19.375 7.630 3.282 1.00 0.00 H new ATOM 0 HA HIS A 54 -21.136 8.026 1.982 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.408 7.218 3.969 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -22.518 8.864 4.561 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -23.791 6.881 1.363 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -26.439 10.092 2.178 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -26.006 8.076 0.689 1.00 0.00 H new ATOM 606 N GLY A 55 -20.078 10.572 1.980 1.00 0.00 N ATOM 607 CA GLY A 55 -19.979 11.962 1.582 1.00 0.00 C ATOM 608 C GLY A 55 -18.588 12.318 1.101 1.00 0.00 C ATOM 609 O GLY A 55 -18.427 13.110 0.173 1.00 0.00 O ATOM 0 H GLY A 55 -19.237 10.019 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.699 12.164 0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.245 12.600 2.425 1.00 0.00 H new ATOM 613 N GLY A 56 -17.581 11.724 1.732 1.00 0.00 N ATOM 614 CA GLY A 56 -16.209 11.989 1.347 1.00 0.00 C ATOM 615 C GLY A 56 -15.921 11.552 -0.076 1.00 0.00 C ATOM 616 O GLY A 56 -16.837 11.181 -0.810 1.00 0.00 O ATOM 0 H GLY A 56 -17.691 11.065 2.502 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -16.004 13.055 1.447 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.535 11.470 2.029 1.00 0.00 H new ATOM 620 N PRO A 57 -14.649 11.586 -0.501 1.00 0.00 N ATOM 621 CA PRO A 57 -14.260 11.189 -1.857 1.00 0.00 C ATOM 622 C PRO A 57 -14.712 9.774 -2.203 1.00 0.00 C ATOM 623 O PRO A 57 -14.865 9.434 -3.376 1.00 0.00 O ATOM 624 CB PRO A 57 -12.732 11.268 -1.834 1.00 0.00 C ATOM 625 CG PRO A 57 -12.413 12.212 -0.727 1.00 0.00 C ATOM 626 CD PRO A 57 -13.490 12.017 0.302 1.00 0.00 C ATOM 0 HA PRO A 57 -14.721 11.828 -2.610 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.288 10.288 -1.658 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.341 11.628 -2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -11.429 12.004 -0.307 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.396 13.242 -1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.210 11.266 1.041 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.698 12.938 0.847 1.00 0.00 H new ATOM 634 N ALA A 58 -14.924 8.949 -1.181 1.00 0.00 N ATOM 635 CA ALA A 58 -15.355 7.578 -1.394 1.00 0.00 C ATOM 636 C ALA A 58 -16.759 7.540 -1.983 1.00 0.00 C ATOM 637 O ALA A 58 -17.006 6.874 -2.988 1.00 0.00 O ATOM 638 CB ALA A 58 -15.304 6.798 -0.090 1.00 0.00 C ATOM 0 H ALA A 58 -14.804 9.208 -0.202 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.674 7.111 -2.105 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.630 5.773 -0.266 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.283 6.794 0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.963 7.267 0.641 1.00 0.00 H new ATOM 644 N GLU A 59 -17.671 8.271 -1.354 1.00 0.00 N ATOM 645 CA GLU A 59 -19.051 8.337 -1.818 1.00 0.00 C ATOM 646 C GLU A 59 -19.169 9.274 -3.016 1.00 0.00 C ATOM 647 O GLU A 59 -19.920 9.011 -3.954 1.00 0.00 O ATOM 648 CB GLU A 59 -19.969 8.812 -0.690 1.00 0.00 C ATOM 649 CG GLU A 59 -21.411 8.356 -0.845 1.00 0.00 C ATOM 650 CD GLU A 59 -22.261 9.358 -1.601 1.00 0.00 C ATOM 651 OE1 GLU A 59 -22.646 10.383 -0.999 1.00 0.00 O ATOM 652 OE2 GLU A 59 -22.544 9.118 -2.794 1.00 0.00 O ATOM 0 H GLU A 59 -17.480 8.827 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.357 7.337 -2.125 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.581 8.446 0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -19.944 9.901 -0.647 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.432 7.400 -1.368 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.844 8.189 0.142 1.00 0.00 H new ATOM 659 N LYS A 60 -18.419 10.372 -2.969 1.00 0.00 N ATOM 660 CA LYS A 60 -18.432 11.360 -4.038 1.00 0.00 C ATOM 661 C LYS A 60 -18.062 10.730 -5.376 1.00 0.00 C ATOM 662 O LYS A 60 -18.731 10.955 -6.386 1.00 0.00 O ATOM 663 CB LYS A 60 -17.465 12.500 -3.716 1.00 0.00 C ATOM 664 CG LYS A 60 -18.133 13.693 -3.052 1.00 0.00 C ATOM 665 CD LYS A 60 -17.211 14.898 -3.019 1.00 0.00 C ATOM 666 CE LYS A 60 -17.950 16.155 -2.590 1.00 0.00 C ATOM 667 NZ LYS A 60 -18.381 16.971 -3.760 1.00 0.00 N ATOM 0 H LYS A 60 -17.792 10.598 -2.197 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.444 11.757 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.678 12.124 -3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -16.984 12.829 -4.637 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.046 13.947 -3.591 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.425 13.429 -2.036 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.386 14.707 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -16.775 15.050 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.823 15.879 -1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.305 16.754 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -18.881 17.819 -3.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -17.546 17.256 -4.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -19.017 16.408 -4.361 1.00 0.00 H new ATOM 681 N SER A 61 -16.993 9.941 -5.379 1.00 0.00 N ATOM 682 CA SER A 61 -16.533 9.282 -6.596 1.00 0.00 C ATOM 683 C SER A 61 -17.637 8.416 -7.195 1.00 0.00 C ATOM 684 O SER A 61 -18.238 8.771 -8.208 1.00 0.00 O ATOM 685 CB SER A 61 -15.300 8.426 -6.302 1.00 0.00 C ATOM 686 OG SER A 61 -14.109 9.181 -6.444 1.00 0.00 O ATOM 0 H SER A 61 -16.429 9.742 -4.553 1.00 0.00 H new ATOM 0 HA SER A 61 -16.267 10.053 -7.320 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.363 8.028 -5.289 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.276 7.572 -6.979 1.00 0.00 H new ATOM 0 HG SER A 61 -13.701 8.988 -7.314 1.00 0.00 H new ATOM 692 N GLY A 62 -17.895 7.277 -6.561 1.00 0.00 N ATOM 693 CA GLY A 62 -18.924 6.375 -7.045 1.00 0.00 C ATOM 694 C GLY A 62 -18.357 5.051 -7.519 1.00 0.00 C ATOM 695 O GLY A 62 -19.035 4.290 -8.210 1.00 0.00 O ATOM 0 H GLY A 62 -17.410 6.962 -5.721 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.647 6.193 -6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.464 6.850 -7.864 1.00 0.00 H new ATOM 699 N LYS A 63 -17.110 4.777 -7.150 1.00 0.00 N ATOM 700 CA LYS A 63 -16.450 3.540 -7.539 1.00 0.00 C ATOM 701 C LYS A 63 -16.293 2.608 -6.342 1.00 0.00 C ATOM 702 O LYS A 63 -16.198 1.390 -6.498 1.00 0.00 O ATOM 703 CB LYS A 63 -15.089 3.847 -8.154 1.00 0.00 C ATOM 704 CG LYS A 63 -15.193 4.528 -9.508 1.00 0.00 C ATOM 705 CD LYS A 63 -13.827 4.885 -10.056 1.00 0.00 C ATOM 706 CE LYS A 63 -13.002 3.640 -10.334 1.00 0.00 C ATOM 707 NZ LYS A 63 -11.733 3.962 -11.044 1.00 0.00 N ATOM 0 H LYS A 63 -16.536 5.399 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 63 -17.070 3.036 -8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.524 4.485 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.527 2.919 -8.262 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.707 3.870 -10.209 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -15.797 5.431 -9.417 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.940 5.461 -10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.301 5.521 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.775 3.138 -9.394 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.587 2.943 -10.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.977 3.332 -10.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.864 3.830 -12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.470 4.950 -10.854 1.00 0.00 H new ATOM 721 N LEU A 64 -16.272 3.188 -5.144 1.00 0.00 N ATOM 722 CA LEU A 64 -16.132 2.410 -3.919 1.00 0.00 C ATOM 723 C LEU A 64 -17.476 2.273 -3.211 1.00 0.00 C ATOM 724 O LEU A 64 -18.081 3.267 -2.810 1.00 0.00 O ATOM 725 CB LEU A 64 -15.119 3.068 -2.981 1.00 0.00 C ATOM 726 CG LEU A 64 -13.660 2.934 -3.414 1.00 0.00 C ATOM 727 CD1 LEU A 64 -12.752 3.730 -2.488 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.245 1.470 -3.441 1.00 0.00 C ATOM 0 H LEU A 64 -16.350 4.194 -4.997 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.774 1.416 -4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.361 4.127 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.229 2.633 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.561 3.339 -4.421 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.717 3.622 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.034 4.782 -2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -12.854 3.356 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.203 1.393 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.360 1.041 -2.446 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.875 0.926 -4.145 1.00 0.00 H new ATOM 740 N ASN A 65 -17.934 1.037 -3.062 1.00 0.00 N ATOM 741 CA ASN A 65 -19.206 0.769 -2.401 1.00 0.00 C ATOM 742 C ASN A 65 -19.051 -0.332 -1.358 1.00 0.00 C ATOM 743 O ASN A 65 -18.335 -1.309 -1.577 1.00 0.00 O ATOM 744 CB ASN A 65 -20.265 0.368 -3.429 1.00 0.00 C ATOM 745 CG ASN A 65 -20.406 1.386 -4.543 1.00 0.00 C ATOM 746 OD1 ASN A 65 -20.318 2.592 -4.313 1.00 0.00 O ATOM 747 ND2 ASN A 65 -20.628 0.903 -5.761 1.00 0.00 N ATOM 0 H ASN A 65 -17.445 0.204 -3.389 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.527 1.681 -1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -20.004 -0.600 -3.857 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -21.225 0.247 -2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.733 1.540 -6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -20.694 -0.105 -5.906 1.00 0.00 H new ATOM 754 N ILE A 66 -19.725 -0.167 -0.223 1.00 0.00 N ATOM 755 CA ILE A 66 -19.662 -1.143 0.853 1.00 0.00 C ATOM 756 C ILE A 66 -19.854 -2.563 0.333 1.00 0.00 C ATOM 757 O ILE A 66 -20.602 -2.796 -0.617 1.00 0.00 O ATOM 758 CB ILE A 66 -20.713 -0.823 1.922 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.413 0.549 2.503 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.728 -1.879 3.022 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.076 0.621 3.202 1.00 0.00 C ATOM 0 H ILE A 66 -20.322 0.637 -0.028 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.669 -1.083 1.299 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.701 -0.825 1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.437 1.288 1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.199 0.817 3.209 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.484 -1.621 3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -20.961 -2.852 2.589 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.750 -1.920 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.924 1.627 3.594 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.056 -0.095 4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.282 0.383 2.494 1.00 0.00 H new ATOM 773 N GLY A 67 -19.163 -3.506 0.960 1.00 0.00 N ATOM 774 CA GLY A 67 -19.258 -4.892 0.548 1.00 0.00 C ATOM 775 C GLY A 67 -18.152 -5.289 -0.416 1.00 0.00 C ATOM 776 O GLY A 67 -18.165 -6.394 -0.958 1.00 0.00 O ATOM 0 H GLY A 67 -18.538 -3.335 1.748 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.216 -5.533 1.428 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.226 -5.062 0.076 1.00 0.00 H new ATOM 780 N ASP A 68 -17.192 -4.392 -0.628 1.00 0.00 N ATOM 781 CA ASP A 68 -16.079 -4.666 -1.529 1.00 0.00 C ATOM 782 C ASP A 68 -14.842 -5.080 -0.741 1.00 0.00 C ATOM 783 O ASP A 68 -14.716 -4.763 0.441 1.00 0.00 O ATOM 784 CB ASP A 68 -15.769 -3.436 -2.381 1.00 0.00 C ATOM 785 CG ASP A 68 -16.887 -3.108 -3.352 1.00 0.00 C ATOM 786 OD1 ASP A 68 -18.064 -3.335 -3.000 1.00 0.00 O ATOM 787 OD2 ASP A 68 -16.585 -2.626 -4.464 1.00 0.00 O ATOM 0 H ASP A 68 -17.164 -3.472 -0.189 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.365 -5.487 -2.186 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.595 -2.580 -1.729 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.847 -3.606 -2.937 1.00 0.00 H new ATOM 792 N GLN A 69 -13.931 -5.789 -1.398 1.00 0.00 N ATOM 793 CA GLN A 69 -12.708 -6.240 -0.744 1.00 0.00 C ATOM 794 C GLN A 69 -11.483 -5.622 -1.408 1.00 0.00 C ATOM 795 O GLN A 69 -11.167 -5.926 -2.557 1.00 0.00 O ATOM 796 CB GLN A 69 -12.614 -7.767 -0.773 1.00 0.00 C ATOM 797 CG GLN A 69 -12.078 -8.361 0.521 1.00 0.00 C ATOM 798 CD GLN A 69 -11.242 -9.609 0.307 1.00 0.00 C ATOM 799 OE1 GLN A 69 -11.363 -10.582 1.048 1.00 0.00 O ATOM 800 NE2 GLN A 69 -10.380 -9.583 -0.699 1.00 0.00 N ATOM 0 H GLN A 69 -14.015 -6.063 -2.377 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.738 -5.914 0.296 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.602 -8.181 -0.973 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.969 -8.069 -1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -11.475 -7.612 1.034 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -12.915 -8.601 1.177 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -10.311 -8.755 -1.290 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -9.785 -10.391 -0.882 1.00 0.00 H new ATOM 809 N ILE A 70 -10.802 -4.746 -0.675 1.00 0.00 N ATOM 810 CA ILE A 70 -9.614 -4.079 -1.191 1.00 0.00 C ATOM 811 C ILE A 70 -8.399 -4.996 -1.125 1.00 0.00 C ATOM 812 O ILE A 70 -8.208 -5.713 -0.145 1.00 0.00 O ATOM 813 CB ILE A 70 -9.319 -2.782 -0.413 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.579 -1.918 -0.331 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.182 -2.011 -1.071 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.719 -1.181 0.985 1.00 0.00 C ATOM 0 H ILE A 70 -11.054 -4.482 0.278 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.814 -3.827 -2.233 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.011 -3.045 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.567 -1.193 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.454 -2.550 -0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.988 -1.098 -0.508 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.283 -2.628 -1.083 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.460 -1.754 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.634 -0.588 0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.763 -1.901 1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.862 -0.523 1.126 1.00 0.00 H new ATOM 828 N MET A 71 -7.582 -4.973 -2.174 1.00 0.00 N ATOM 829 CA MET A 71 -6.390 -5.815 -2.228 1.00 0.00 C ATOM 830 C MET A 71 -5.129 -5.004 -1.953 1.00 0.00 C ATOM 831 O MET A 71 -4.469 -5.194 -0.932 1.00 0.00 O ATOM 832 CB MET A 71 -6.277 -6.508 -3.592 1.00 0.00 C ATOM 833 CG MET A 71 -7.609 -6.930 -4.205 1.00 0.00 C ATOM 834 SD MET A 71 -8.799 -7.534 -2.990 1.00 0.00 S ATOM 835 CE MET A 71 -8.691 -9.298 -3.257 1.00 0.00 C ATOM 0 H MET A 71 -7.722 -4.384 -2.995 1.00 0.00 H new ATOM 0 HA MET A 71 -6.488 -6.574 -1.452 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.770 -5.836 -4.285 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.646 -7.390 -3.485 1.00 0.00 H new ATOM 0 HG2 MET A 71 -8.041 -6.081 -4.735 1.00 0.00 H new ATOM 0 HG3 MET A 71 -7.429 -7.710 -4.945 1.00 0.00 H new ATOM 0 HE1 MET A 71 -9.685 -9.739 -3.183 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.281 -9.492 -4.248 1.00 0.00 H new ATOM 0 HE3 MET A 71 -8.040 -9.741 -2.503 1.00 0.00 H new ATOM 845 N SER A 72 -4.794 -4.104 -2.872 1.00 0.00 N ATOM 846 CA SER A 72 -3.606 -3.271 -2.727 1.00 0.00 C ATOM 847 C SER A 72 -3.932 -1.803 -2.978 1.00 0.00 C ATOM 848 O SER A 72 -4.607 -1.465 -3.951 1.00 0.00 O ATOM 849 CB SER A 72 -2.513 -3.734 -3.689 1.00 0.00 C ATOM 850 OG SER A 72 -2.969 -3.711 -5.030 1.00 0.00 O ATOM 0 H SER A 72 -5.328 -3.933 -3.724 1.00 0.00 H new ATOM 0 HA SER A 72 -3.247 -3.373 -1.703 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.639 -3.090 -3.588 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.197 -4.744 -3.426 1.00 0.00 H new ATOM 0 HG SER A 72 -2.250 -4.010 -5.625 1.00 0.00 H new ATOM 856 N ILE A 73 -3.449 -0.937 -2.095 1.00 0.00 N ATOM 857 CA ILE A 73 -3.685 0.493 -2.220 1.00 0.00 C ATOM 858 C ILE A 73 -2.428 1.214 -2.695 1.00 0.00 C ATOM 859 O ILE A 73 -1.404 1.217 -2.012 1.00 0.00 O ATOM 860 CB ILE A 73 -4.144 1.098 -0.877 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.452 0.448 -0.419 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.308 2.605 -0.999 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.329 -0.301 0.890 1.00 0.00 C ATOM 0 H ILE A 73 -2.891 -1.203 -1.284 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.475 0.628 -2.959 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.379 0.898 -0.127 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.215 1.219 -0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.796 -0.240 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.632 3.014 -0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.355 3.053 -1.281 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.054 2.829 -1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.294 -0.735 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.589 -1.095 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.015 0.387 1.675 1.00 0.00 H new ATOM 875 N ASN A 74 -2.515 1.826 -3.873 1.00 0.00 N ATOM 876 CA ASN A 74 -1.386 2.552 -4.443 1.00 0.00 C ATOM 877 C ASN A 74 -0.162 1.649 -4.575 1.00 0.00 C ATOM 878 O ASN A 74 0.974 2.121 -4.549 1.00 0.00 O ATOM 879 CB ASN A 74 -1.046 3.765 -3.575 1.00 0.00 C ATOM 880 CG ASN A 74 -2.058 4.884 -3.723 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.272 5.402 -4.820 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.688 5.263 -2.618 1.00 0.00 N ATOM 0 H ASN A 74 -3.356 1.833 -4.451 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.671 2.891 -5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.998 3.458 -2.530 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.057 4.135 -3.845 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.380 6.011 -2.657 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.480 4.806 -1.730 1.00 0.00 H new ATOM 889 N GLY A 75 -0.404 0.350 -4.720 1.00 0.00 N ATOM 890 CA GLY A 75 0.689 -0.595 -4.857 1.00 0.00 C ATOM 891 C GLY A 75 0.907 -1.422 -3.604 1.00 0.00 C ATOM 892 O GLY A 75 1.349 -2.567 -3.679 1.00 0.00 O ATOM 0 H GLY A 75 -1.336 -0.064 -4.745 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.486 -1.260 -5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.605 -0.054 -5.094 1.00 0.00 H new ATOM 896 N THR A 76 0.600 -0.838 -2.450 1.00 0.00 N ATOM 897 CA THR A 76 0.768 -1.530 -1.178 1.00 0.00 C ATOM 898 C THR A 76 -0.106 -2.775 -1.111 1.00 0.00 C ATOM 899 O THR A 76 -1.304 -2.693 -0.841 1.00 0.00 O ATOM 900 CB THR A 76 0.437 -0.602 -0.013 1.00 0.00 C ATOM 901 OG1 THR A 76 1.192 0.595 -0.095 1.00 0.00 O ATOM 902 CG2 THR A 76 0.703 -1.225 1.341 1.00 0.00 C ATOM 0 H THR A 76 0.234 0.111 -2.370 1.00 0.00 H new ATOM 0 HA THR A 76 1.812 -1.835 -1.103 1.00 0.00 H new ATOM 0 HB THR A 76 -0.631 -0.400 -0.097 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.965 1.178 0.660 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.447 -0.513 2.126 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.096 -2.123 1.454 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.758 -1.488 1.420 1.00 0.00 H new ATOM 910 N SER A 77 0.503 -3.931 -1.355 1.00 0.00 N ATOM 911 CA SER A 77 -0.217 -5.198 -1.318 1.00 0.00 C ATOM 912 C SER A 77 -0.410 -5.660 0.122 1.00 0.00 C ATOM 913 O SER A 77 0.555 -5.960 0.824 1.00 0.00 O ATOM 914 CB SER A 77 0.541 -6.263 -2.111 1.00 0.00 C ATOM 915 OG SER A 77 1.428 -5.672 -3.045 1.00 0.00 O ATOM 0 H SER A 77 1.494 -4.016 -1.581 1.00 0.00 H new ATOM 0 HA SER A 77 -1.197 -5.050 -1.773 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.101 -6.900 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.168 -6.904 -2.634 1.00 0.00 H new ATOM 0 HG SER A 77 1.901 -6.375 -3.537 1.00 0.00 H new ATOM 921 N LEU A 78 -1.665 -5.712 0.558 1.00 0.00 N ATOM 922 CA LEU A 78 -1.982 -6.135 1.917 1.00 0.00 C ATOM 923 C LEU A 78 -2.866 -7.379 1.912 1.00 0.00 C ATOM 924 O LEU A 78 -3.600 -7.631 2.866 1.00 0.00 O ATOM 925 CB LEU A 78 -2.674 -5.004 2.683 1.00 0.00 C ATOM 926 CG LEU A 78 -3.648 -4.158 1.861 1.00 0.00 C ATOM 927 CD1 LEU A 78 -4.984 -4.867 1.723 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.831 -2.791 2.502 1.00 0.00 C ATOM 0 H LEU A 78 -2.477 -5.467 -0.009 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.045 -6.381 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.215 -5.436 3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.909 -4.348 3.098 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.231 -4.019 0.864 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.664 -4.250 1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.838 -5.824 1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.410 -5.036 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.527 -2.200 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -4.228 -2.912 3.510 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.869 -2.280 2.550 1.00 0.00 H new ATOM 940 N VAL A 79 -2.785 -8.157 0.837 1.00 0.00 N ATOM 941 CA VAL A 79 -3.575 -9.375 0.720 1.00 0.00 C ATOM 942 C VAL A 79 -3.032 -10.457 1.646 1.00 0.00 C ATOM 943 O VAL A 79 -2.193 -11.265 1.248 1.00 0.00 O ATOM 944 CB VAL A 79 -3.583 -9.906 -0.726 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.559 -11.064 -0.864 1.00 0.00 C ATOM 946 CG2 VAL A 79 -3.927 -8.791 -1.702 1.00 0.00 C ATOM 0 H VAL A 79 -2.182 -7.965 0.037 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.597 -9.125 1.007 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.584 -10.272 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.551 -11.426 -1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.264 -11.871 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.563 -10.727 -0.606 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.928 -9.185 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.914 -8.393 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.186 -7.996 -1.622 1.00 0.00 H new ATOM 956 N GLY A 80 -3.511 -10.464 2.885 1.00 0.00 N ATOM 957 CA GLY A 80 -3.057 -11.446 3.852 1.00 0.00 C ATOM 958 C GLY A 80 -2.746 -10.830 5.203 1.00 0.00 C ATOM 959 O GLY A 80 -2.652 -11.539 6.206 1.00 0.00 O ATOM 0 H GLY A 80 -4.206 -9.806 3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -3.822 -12.213 3.973 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -2.166 -11.943 3.469 1.00 0.00 H new ATOM 963 N LEU A 81 -2.582 -9.510 5.232 1.00 0.00 N ATOM 964 CA LEU A 81 -2.280 -8.805 6.472 1.00 0.00 C ATOM 965 C LEU A 81 -3.549 -8.582 7.291 1.00 0.00 C ATOM 966 O LEU A 81 -4.653 -8.575 6.747 1.00 0.00 O ATOM 967 CB LEU A 81 -1.608 -7.455 6.184 1.00 0.00 C ATOM 968 CG LEU A 81 -0.861 -7.356 4.851 1.00 0.00 C ATOM 969 CD1 LEU A 81 -0.165 -6.009 4.732 1.00 0.00 C ATOM 970 CD2 LEU A 81 0.144 -8.490 4.713 1.00 0.00 C ATOM 0 H LEU A 81 -2.653 -8.909 4.411 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.592 -9.426 7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -2.371 -6.677 6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.906 -7.240 6.990 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.587 -7.443 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.361 -5.954 3.779 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.906 -5.211 4.784 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.549 -5.895 5.548 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.664 -8.401 3.759 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.867 -8.436 5.527 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.378 -9.446 4.754 1.00 0.00 H new ATOM 982 N PRO A 82 -3.407 -8.391 8.613 1.00 0.00 N ATOM 983 CA PRO A 82 -4.550 -8.160 9.504 1.00 0.00 C ATOM 984 C PRO A 82 -5.294 -6.876 9.156 1.00 0.00 C ATOM 985 O PRO A 82 -4.979 -6.213 8.167 1.00 0.00 O ATOM 986 CB PRO A 82 -3.912 -8.051 10.894 1.00 0.00 C ATOM 987 CG PRO A 82 -2.485 -7.707 10.637 1.00 0.00 C ATOM 988 CD PRO A 82 -2.128 -8.377 9.342 1.00 0.00 C ATOM 0 HA PRO A 82 -5.293 -8.954 9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.401 -7.284 11.494 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.999 -8.989 11.443 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.349 -6.628 10.569 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.846 -8.058 11.448 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.360 -7.825 8.800 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.743 -9.384 9.501 1.00 0.00 H new ATOM 996 N LEU A 83 -6.283 -6.528 9.970 1.00 0.00 N ATOM 997 CA LEU A 83 -7.071 -5.322 9.742 1.00 0.00 C ATOM 998 C LEU A 83 -6.311 -4.080 10.193 1.00 0.00 C ATOM 999 O LEU A 83 -6.251 -3.083 9.472 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.412 -5.413 10.474 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.222 -4.113 10.510 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.426 -3.574 9.102 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -10.559 -4.339 11.197 1.00 0.00 C ATOM 0 H LEU A 83 -6.559 -7.063 10.793 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.258 -5.240 8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.016 -6.186 9.999 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.228 -5.737 11.498 1.00 0.00 H new ATOM 0 HG LEU A 83 -8.663 -3.373 11.082 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -10.003 -2.650 9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.457 -3.375 8.645 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -9.964 -4.310 8.505 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -11.122 -3.406 11.214 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -11.125 -5.094 10.652 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -10.390 -4.680 12.219 1.00 0.00 H new ATOM 1015 N SER A 84 -5.728 -4.144 11.386 1.00 0.00 N ATOM 1016 CA SER A 84 -4.972 -3.018 11.924 1.00 0.00 C ATOM 1017 C SER A 84 -3.906 -2.569 10.930 1.00 0.00 C ATOM 1018 O SER A 84 -3.685 -1.372 10.732 1.00 0.00 O ATOM 1019 CB SER A 84 -4.317 -3.403 13.252 1.00 0.00 C ATOM 1020 OG SER A 84 -3.198 -4.247 13.044 1.00 0.00 O ATOM 0 H SER A 84 -5.764 -4.960 11.997 1.00 0.00 H new ATOM 0 HA SER A 84 -5.662 -2.192 12.097 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.004 -2.503 13.781 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.045 -3.909 13.887 1.00 0.00 H new ATOM 0 HG SER A 84 -2.797 -4.477 13.908 1.00 0.00 H new ATOM 1026 N THR A 85 -3.257 -3.539 10.302 1.00 0.00 N ATOM 1027 CA THR A 85 -2.223 -3.251 9.322 1.00 0.00 C ATOM 1028 C THR A 85 -2.815 -2.569 8.096 1.00 0.00 C ATOM 1029 O THR A 85 -2.327 -1.527 7.666 1.00 0.00 O ATOM 1030 CB THR A 85 -1.503 -4.536 8.919 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.830 -5.107 10.029 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.482 -4.338 7.817 1.00 0.00 C ATOM 0 H THR A 85 -3.429 -4.533 10.455 1.00 0.00 H new ATOM 0 HA THR A 85 -1.501 -2.572 9.775 1.00 0.00 H new ATOM 0 HB THR A 85 -2.288 -5.196 8.549 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.377 -5.930 9.749 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.010 -5.292 7.582 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.978 -3.950 6.927 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.277 -3.629 8.148 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.871 -3.158 7.535 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.520 -2.598 6.351 1.00 0.00 C ATOM 1042 C CYS A 86 -4.957 -1.156 6.589 1.00 0.00 C ATOM 1043 O CYS A 86 -4.552 -0.247 5.859 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.726 -3.451 5.953 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.299 -5.111 5.380 1.00 0.00 S ATOM 0 H CYS A 86 -4.294 -4.020 7.880 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.794 -2.603 5.538 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.396 -3.535 6.808 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.277 -2.937 5.165 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.084 -5.882 6.405 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.776 -0.940 7.616 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.243 0.405 7.935 1.00 0.00 C ATOM 1053 C GLN A 87 -5.060 1.361 8.002 1.00 0.00 C ATOM 1054 O GLN A 87 -5.132 2.492 7.520 1.00 0.00 O ATOM 1055 CB GLN A 87 -7.013 0.415 9.256 1.00 0.00 C ATOM 1056 CG GLN A 87 -6.198 -0.069 10.442 1.00 0.00 C ATOM 1057 CD GLN A 87 -7.028 -0.199 11.702 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -6.719 0.406 12.729 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -8.089 -0.994 11.629 1.00 0.00 N ATOM 0 H GLN A 87 -6.126 -1.671 8.235 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.921 0.733 7.147 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.361 1.428 9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -7.899 -0.212 9.155 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -5.753 -1.035 10.203 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -5.377 0.625 10.622 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -8.306 -1.475 10.756 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.687 -1.123 12.445 1.00 0.00 H new ATOM 1068 N SER A 88 -3.963 0.886 8.583 1.00 0.00 N ATOM 1069 CA SER A 88 -2.755 1.686 8.691 1.00 0.00 C ATOM 1070 C SER A 88 -2.204 2.000 7.304 1.00 0.00 C ATOM 1071 O SER A 88 -1.648 3.073 7.072 1.00 0.00 O ATOM 1072 CB SER A 88 -1.702 0.952 9.524 1.00 0.00 C ATOM 1073 OG SER A 88 -0.413 1.507 9.322 1.00 0.00 O ATOM 0 H SER A 88 -3.889 -0.048 8.985 1.00 0.00 H new ATOM 0 HA SER A 88 -3.003 2.623 9.190 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.965 1.010 10.580 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.693 -0.104 9.255 1.00 0.00 H new ATOM 0 HG SER A 88 0.241 1.021 9.867 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.375 1.055 6.377 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.903 1.232 5.007 1.00 0.00 C ATOM 1081 C ILE A 89 -2.549 2.459 4.378 1.00 0.00 C ATOM 1082 O ILE A 89 -1.868 3.309 3.804 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.223 0.003 4.128 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.652 -1.273 4.755 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.688 0.200 2.716 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.187 -1.507 4.461 1.00 0.00 C ATOM 0 H ILE A 89 -2.836 0.162 6.552 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.821 1.358 5.057 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.306 -0.104 4.069 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.791 -1.227 5.835 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.224 -2.128 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.923 -0.676 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.150 1.082 2.272 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.607 0.336 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.138 -2.430 4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.040 -1.587 3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.399 -0.672 4.846 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.869 2.545 4.495 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.612 3.659 3.945 1.00 0.00 C ATOM 1100 C ILE A 90 -4.355 4.935 4.737 1.00 0.00 C ATOM 1101 O ILE A 90 -4.090 5.991 4.165 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.115 3.361 3.943 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.389 1.995 3.307 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -6.855 4.451 3.204 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.792 1.483 3.550 1.00 0.00 C ATOM 0 H ILE A 90 -4.444 1.849 4.970 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.271 3.803 2.920 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.471 3.333 4.973 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.217 2.063 2.233 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.674 1.271 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -7.923 4.232 3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.679 5.408 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.498 4.501 2.175 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -7.913 0.512 3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -7.962 1.382 4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.513 2.186 3.133 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.436 4.829 6.060 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.213 5.976 6.934 1.00 0.00 C ATOM 1119 C LYS A 91 -2.852 6.610 6.669 1.00 0.00 C ATOM 1120 O LYS A 91 -2.640 7.791 6.950 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.317 5.556 8.401 1.00 0.00 C ATOM 1122 CG LYS A 91 -5.749 5.405 8.889 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.921 4.159 9.744 1.00 0.00 C ATOM 1124 CE LYS A 91 -5.927 4.497 11.225 1.00 0.00 C ATOM 1125 NZ LYS A 91 -4.601 4.250 11.860 1.00 0.00 N ATOM 0 H LYS A 91 -4.654 3.961 6.550 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.984 6.716 6.720 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.793 4.610 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.807 6.295 9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -6.032 6.285 9.467 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.422 5.355 8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.854 3.661 9.480 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -5.114 3.457 9.533 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.203 5.543 11.357 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.687 3.901 11.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -4.649 4.493 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.349 3.246 11.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.879 4.838 11.396 1.00 0.00 H new ATOM 1139 N GLY A 92 -1.940 5.821 6.121 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.613 6.317 5.817 1.00 0.00 C ATOM 1141 C GLY A 92 -0.598 7.190 4.578 1.00 0.00 C ATOM 1142 O GLY A 92 0.171 8.149 4.492 1.00 0.00 O ATOM 0 H GLY A 92 -2.096 4.842 5.880 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.237 6.888 6.666 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.064 5.475 5.674 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.453 6.858 3.616 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.543 7.616 2.374 1.00 0.00 C ATOM 1148 C LEU A 93 -2.787 8.499 2.370 1.00 0.00 C ATOM 1149 O LEU A 93 -3.530 8.541 1.390 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.570 6.669 1.176 1.00 0.00 C ATOM 1151 CG LEU A 93 -2.757 5.709 1.154 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -3.712 6.062 0.024 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.278 4.270 1.025 1.00 0.00 C ATOM 0 H LEU A 93 -2.095 6.067 3.673 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.664 8.256 2.300 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.581 7.261 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -0.648 6.087 1.168 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.295 5.807 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.551 5.366 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.083 7.077 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.188 5.996 -0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.138 3.600 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.714 4.156 0.099 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.639 4.022 1.872 1.00 0.00 H new ATOM 1165 N LYS A 94 -3.008 9.199 3.477 1.00 0.00 N ATOM 1166 CA LYS A 94 -4.164 10.078 3.607 1.00 0.00 C ATOM 1167 C LYS A 94 -3.905 11.433 2.953 1.00 0.00 C ATOM 1168 O LYS A 94 -4.841 12.138 2.574 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.528 10.256 5.086 1.00 0.00 C ATOM 1170 CG LYS A 94 -3.762 11.370 5.785 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.605 12.629 5.905 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.086 13.545 6.999 1.00 0.00 C ATOM 1173 NZ LYS A 94 -3.776 12.800 8.250 1.00 0.00 N ATOM 0 H LYS A 94 -2.402 9.175 4.297 1.00 0.00 H new ATOM 0 HA LYS A 94 -5.004 9.614 3.090 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.596 10.460 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.343 9.318 5.610 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -3.458 11.038 6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -2.851 11.592 5.230 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.604 13.161 4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.639 12.357 6.117 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.189 14.055 6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.828 14.315 7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.872 13.437 9.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.437 12.004 8.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.802 12.438 8.206 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.631 11.794 2.825 1.00 0.00 N ATOM 1188 CA ASN A 95 -2.257 13.065 2.218 1.00 0.00 C ATOM 1189 C ASN A 95 -2.021 12.908 0.719 1.00 0.00 C ATOM 1190 O ASN A 95 -1.067 13.456 0.170 1.00 0.00 O ATOM 1191 CB ASN A 95 -1.001 13.624 2.890 1.00 0.00 C ATOM 1192 CG ASN A 95 0.173 12.669 2.805 1.00 0.00 C ATOM 1193 OD1 ASN A 95 0.982 12.742 1.880 1.00 0.00 O ATOM 1194 ND2 ASN A 95 0.269 11.764 3.772 1.00 0.00 N ATOM 0 H ASN A 95 -1.843 11.225 3.133 1.00 0.00 H new ATOM 0 HA ASN A 95 -3.081 13.764 2.363 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -0.731 14.570 2.420 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -1.217 13.838 3.937 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.037 11.092 3.768 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -0.425 11.741 4.519 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.895 12.152 0.062 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.779 11.920 -1.369 1.00 0.00 C ATOM 1203 C GLN A 96 -3.918 12.580 -2.133 1.00 0.00 C ATOM 1204 O GLN A 96 -5.082 12.478 -1.744 1.00 0.00 O ATOM 1205 CB GLN A 96 -2.777 10.421 -1.660 1.00 0.00 C ATOM 1206 CG GLN A 96 -1.387 9.830 -1.723 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.380 8.398 -2.222 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -2.214 8.009 -3.039 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -0.434 7.606 -1.732 1.00 0.00 N ATOM 0 H GLN A 96 -3.692 11.690 0.501 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.839 12.362 -1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -3.349 9.907 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -3.285 10.240 -2.607 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -0.766 10.441 -2.378 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -0.936 9.867 -0.731 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.237 7.971 -1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.378 6.633 -2.031 1.00 0.00 H new ATOM 1218 N SER A 97 -3.578 13.232 -3.237 1.00 0.00 N ATOM 1219 CA SER A 97 -4.576 13.882 -4.071 1.00 0.00 C ATOM 1220 C SER A 97 -5.291 12.849 -4.939 1.00 0.00 C ATOM 1221 O SER A 97 -6.320 13.138 -5.551 1.00 0.00 O ATOM 1222 CB SER A 97 -3.922 14.956 -4.945 1.00 0.00 C ATOM 1223 OG SER A 97 -4.722 15.252 -6.077 1.00 0.00 O ATOM 0 H SER A 97 -2.620 13.324 -3.574 1.00 0.00 H new ATOM 0 HA SER A 97 -5.311 14.363 -3.426 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.768 15.862 -4.358 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.939 14.615 -5.270 1.00 0.00 H new ATOM 0 HG SER A 97 -4.282 15.941 -6.617 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.741 11.636 -4.972 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.319 10.543 -5.748 1.00 0.00 C ATOM 1231 C ARG A 98 -5.103 9.220 -5.026 1.00 0.00 C ATOM 1232 O ARG A 98 -3.981 8.893 -4.639 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.701 10.490 -7.145 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.651 9.958 -8.205 1.00 0.00 C ATOM 1235 CD ARG A 98 -5.582 10.782 -9.481 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.749 12.210 -9.220 1.00 0.00 N ATOM 1237 CZ ARG A 98 -5.437 13.165 -10.094 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.945 12.849 -11.285 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -5.619 14.439 -9.776 1.00 0.00 N ATOM 0 H ARG A 98 -3.891 11.386 -4.467 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.390 10.719 -5.852 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.376 11.491 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.811 9.862 -7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.405 8.920 -8.428 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.670 9.968 -7.819 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.623 10.613 -9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.356 10.447 -10.171 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.127 12.492 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.804 11.870 -11.535 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.708 13.585 -11.950 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.998 14.687 -8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -5.380 15.171 -10.445 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.180 8.468 -4.826 1.00 0.00 N ATOM 1254 CA VAL A 99 -6.091 7.193 -4.127 1.00 0.00 C ATOM 1255 C VAL A 99 -6.385 6.012 -5.045 1.00 0.00 C ATOM 1256 O VAL A 99 -7.540 5.741 -5.375 1.00 0.00 O ATOM 1257 CB VAL A 99 -7.059 7.146 -2.930 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.755 5.947 -2.044 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -6.991 8.440 -2.131 1.00 0.00 C ATOM 0 H VAL A 99 -7.119 8.718 -5.136 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.064 7.112 -3.772 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.074 7.038 -3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.449 5.930 -1.204 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.864 5.030 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.734 6.021 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.683 8.385 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -5.977 8.584 -1.758 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.265 9.278 -2.772 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.333 5.298 -5.433 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.472 4.129 -6.286 1.00 0.00 C ATOM 1271 C LYS A 100 -5.713 2.897 -5.421 1.00 0.00 C ATOM 1272 O LYS A 100 -4.950 2.632 -4.492 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.207 3.938 -7.121 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.362 2.904 -8.219 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.817 3.405 -9.550 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.928 3.589 -10.572 1.00 0.00 C ATOM 1277 NZ LYS A 100 -4.980 2.463 -11.545 1.00 0.00 N ATOM 0 H LYS A 100 -4.372 5.512 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.318 4.272 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.927 4.892 -7.567 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.389 3.641 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.841 1.990 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.416 2.648 -8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.299 4.352 -9.399 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.082 2.697 -9.933 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.885 3.668 -10.057 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.776 4.526 -11.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.750 2.627 -12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.076 2.403 -12.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.150 1.572 -11.036 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.778 2.157 -5.705 1.00 0.00 N ATOM 1292 CA LEU A 101 -7.092 0.975 -4.912 1.00 0.00 C ATOM 1293 C LEU A 101 -7.528 -0.196 -5.772 1.00 0.00 C ATOM 1294 O LEU A 101 -8.562 -0.151 -6.434 1.00 0.00 O ATOM 1295 CB LEU A 101 -8.198 1.281 -3.902 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.287 2.735 -3.445 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.739 3.180 -3.371 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.593 2.910 -2.104 1.00 0.00 C ATOM 0 H LEU A 101 -7.429 2.350 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.174 0.699 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -9.155 0.997 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -8.049 0.651 -3.025 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.778 3.365 -4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.785 4.219 -3.044 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -10.198 3.089 -4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.276 2.552 -2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.664 3.952 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.073 2.274 -1.360 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.544 2.631 -2.198 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.754 -1.265 -5.715 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.080 -2.474 -6.453 1.00 0.00 C ATOM 1312 C ASN A 102 -7.955 -3.357 -5.579 1.00 0.00 C ATOM 1313 O ASN A 102 -7.460 -4.063 -4.701 1.00 0.00 O ATOM 1314 CB ASN A 102 -5.810 -3.216 -6.872 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.421 -2.913 -8.305 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.264 -2.608 -8.595 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.390 -2.994 -9.209 1.00 0.00 N ATOM 0 H ASN A 102 -5.896 -1.322 -5.166 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.619 -2.210 -7.363 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -4.992 -2.938 -6.208 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.963 -4.289 -6.757 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.190 -2.800 -10.190 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.335 -3.251 -8.922 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.262 -3.279 -5.795 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.215 -4.040 -4.996 1.00 0.00 C ATOM 1326 C ILE A 103 -11.070 -4.969 -5.852 1.00 0.00 C ATOM 1327 O ILE A 103 -11.028 -4.920 -7.080 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.124 -3.092 -4.178 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.319 -2.600 -4.997 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.324 -1.897 -3.674 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.411 -2.017 -4.140 1.00 0.00 C ATOM 0 H ILE A 103 -9.687 -2.697 -6.517 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.633 -4.659 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.507 -3.662 -3.331 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.981 -1.847 -5.709 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.722 -3.430 -5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.976 -1.238 -3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.510 -2.246 -3.038 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.913 -1.351 -4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.233 -1.685 -4.774 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.772 -2.775 -3.445 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.019 -1.168 -3.579 1.00 0.00 H new ATOM 1343 N VAL A 104 -11.856 -5.806 -5.183 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.738 -6.743 -5.863 1.00 0.00 C ATOM 1345 C VAL A 104 -14.195 -6.419 -5.557 1.00 0.00 C ATOM 1346 O VAL A 104 -14.655 -6.590 -4.425 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.446 -8.198 -5.446 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.251 -9.168 -6.299 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -10.959 -8.495 -5.545 1.00 0.00 C ATOM 0 H VAL A 104 -11.899 -5.853 -4.165 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.555 -6.643 -6.933 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.748 -8.327 -4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -13.033 -10.191 -5.991 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -14.315 -8.969 -6.170 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -12.983 -9.040 -7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.773 -9.527 -5.247 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.626 -8.349 -6.573 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -10.409 -7.822 -4.887 1.00 0.00 H new ATOM 1359 N ARG A 105 -14.915 -5.942 -6.566 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.318 -5.583 -6.405 1.00 0.00 C ATOM 1361 C ARG A 105 -17.212 -6.816 -6.492 1.00 0.00 C ATOM 1362 O ARG A 105 -16.854 -7.812 -7.118 1.00 0.00 O ATOM 1363 CB ARG A 105 -16.724 -4.563 -7.470 1.00 0.00 C ATOM 1364 CG ARG A 105 -18.189 -4.171 -7.408 1.00 0.00 C ATOM 1365 CD ARG A 105 -18.418 -2.780 -7.978 1.00 0.00 C ATOM 1366 NE ARG A 105 -19.742 -2.647 -8.582 1.00 0.00 N ATOM 1367 CZ ARG A 105 -20.054 -3.106 -9.792 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -19.142 -3.727 -10.529 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -21.282 -2.942 -10.264 1.00 0.00 N ATOM 0 H ARG A 105 -14.549 -5.795 -7.506 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.445 -5.140 -5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.112 -3.668 -7.356 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -16.508 -4.974 -8.456 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -18.784 -4.896 -7.963 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -18.532 -4.203 -6.374 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -18.305 -2.040 -7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -17.655 -2.565 -8.726 1.00 0.00 H new ATOM 0 HE ARG A 105 -20.470 -2.175 -8.045 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -18.196 -3.855 -10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -19.387 -4.077 -11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.986 -2.465 -9.700 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -21.523 -3.293 -11.191 1.00 0.00 H new ATOM 1384 N PRO B -3 -16.488 2.535 14.054 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.189 1.988 13.649 1.00 0.00 C ATOM 1386 C PRO B -3 -14.272 3.055 13.059 1.00 0.00 C ATOM 1387 O PRO B -3 -14.727 4.128 12.663 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.558 0.953 12.584 1.00 0.00 C ATOM 1389 CG PRO B -3 -16.846 1.439 12.017 1.00 0.00 C ATOM 1390 CD PRO B -3 -17.575 2.103 13.153 1.00 0.00 C ATOM 0 H2 PRO B -3 -16.439 3.554 14.063 1.00 0.00 H new ATOM 0 H3 PRO B -3 -16.699 2.238 15.007 1.00 0.00 H new ATOM 0 HA PRO B -3 -14.638 1.573 14.493 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -14.788 0.883 11.816 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -15.666 -0.041 13.018 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.673 2.141 11.201 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.429 0.613 11.609 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.170 2.948 12.808 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.258 1.413 13.649 1.00 0.00 H new ATOM 1398 N VAL B -2 -12.978 2.754 13.004 1.00 0.00 N ATOM 1399 CA VAL B -2 -11.999 3.689 12.462 1.00 0.00 C ATOM 1400 C VAL B -2 -12.345 4.071 11.025 1.00 0.00 C ATOM 1401 O VAL B -2 -13.005 3.313 10.314 1.00 0.00 O ATOM 1402 CB VAL B -2 -10.576 3.098 12.502 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -10.491 1.837 11.654 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -9.555 4.130 12.042 1.00 0.00 C ATOM 0 H VAL B -2 -12.584 1.871 13.328 1.00 0.00 H new ATOM 0 HA VAL B -2 -12.028 4.581 13.088 1.00 0.00 H new ATOM 0 HB VAL B -2 -10.347 2.827 13.533 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.478 1.437 11.697 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -11.191 1.094 12.036 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -10.743 2.076 10.621 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -8.556 3.695 12.077 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -9.782 4.436 11.021 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -9.595 4.999 12.699 1.00 0.00 H new ATOM 1414 N TYR B -1 -11.900 5.251 10.606 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.170 5.732 9.256 1.00 0.00 C ATOM 1416 C TYR B -1 -10.882 6.151 8.554 1.00 0.00 C ATOM 1417 O TYR B -1 -10.144 7.004 9.046 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.146 6.910 9.300 1.00 0.00 C ATOM 1419 CG TYR B -1 -14.586 6.515 9.059 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.070 6.328 7.772 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.463 6.332 10.122 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.384 5.970 7.548 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -16.779 5.974 9.906 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.236 5.794 8.618 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.547 5.437 8.399 1.00 0.00 O ATOM 0 H TYR B -1 -11.352 5.891 11.181 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.618 4.915 8.691 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.070 7.397 10.272 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -12.850 7.644 8.551 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.407 6.465 6.931 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.109 6.472 11.133 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.743 5.828 6.539 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.448 5.836 10.743 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.011 5.353 9.258 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.623 5.549 7.399 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.430 5.864 6.621 1.00 0.00 C ATOM 1437 C ILE B 0 -9.766 6.787 5.460 1.00 0.00 C ATOM 1438 O ILE B 0 -10.947 7.165 5.334 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.750 4.589 6.076 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.693 3.830 5.136 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.310 3.694 7.225 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -9.881 4.490 3.785 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.846 7.120 4.684 1.00 0.00 O ATOM 0 H ILE B 0 -11.224 4.839 6.980 1.00 0.00 H new ATOM 0 HA ILE B 0 -8.737 6.367 7.296 1.00 0.00 H new ATOM 0 HB ILE B 0 -7.869 4.886 5.507 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.306 2.822 4.986 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.666 3.729 5.618 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -7.832 2.799 6.827 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.603 4.233 7.856 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.179 3.408 7.817 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.562 3.892 3.179 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.299 5.487 3.922 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -8.918 4.567 3.280 1.00 0.00 H new