USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=22 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 :FLIP amide:sc= -0.653 F(o=-12,f=-9.6) USER MOD Set 1.2: A 96 GLN : amide:sc= -8.96! C(o=-9.6!,f=-18!) USER MOD Set 2.1: A 61 SER OG : rot 97:sc= -2.33! USER MOD Set 2.2: A 63 LYS NZ :NH3+ 150:sc= 1.19 (180deg=0) USER MOD Set 3.1: A 51 ASN :FLIP amide:sc= 1.96 F(o=0.12,f=3) USER MOD Set 3.2: B -1 TYR OH : rot 116:sc= 1.03 USER MOD Single : A 19 LYS NZ :NH3+ -149:sc= -0.119 (180deg=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ -110:sc= 0.938 (180deg=-0.467) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 60:sc= 0.367 USER MOD Single : A 42 SER OG : rot -72:sc= 0.261 USER MOD Single : A 46 THR OG1 : rot 178:sc= -0.938! USER MOD Single : A 52 MET CE :methyl -170:sc= -1.93 (180deg=-2.15) USER MOD Single : A 53 MET CE :methyl -174:sc= -3.39! (180deg=-3.58!) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= 0.00606 X(o=0.0061,f=0) USER MOD Single : A 69 GLN : amide:sc= -8.24! C(o=-8.2!,f=-18!) USER MOD Single : A 71 MET CE :methyl -128:sc= -11! (180deg=-18.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 102:sc= 1.21 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 86 CYS SG : rot 90:sc= -0.0757 USER MOD Single : A 87 GLN : amide:sc= -3.5! X(o=-3.5!,f=-3.4) USER MOD Single : A 88 SER OG : rot -51:sc= 1.06 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= -0.39 USER MOD Single : A 100 LYS NZ :NH3+ 156:sc= -0.659 (180deg=-2.41!) USER MOD Single : A 102 ASN : amide:sc= -0.429 X(o=-0.43,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.356 -9.422 -8.964 1.00 0.00 N ATOM 2 CA GLU A 17 -14.784 -8.757 -10.128 1.00 0.00 C ATOM 3 C GLU A 17 -13.832 -7.643 -9.704 1.00 0.00 C ATOM 4 O GLU A 17 -14.258 -6.618 -9.172 1.00 0.00 O ATOM 5 CB GLU A 17 -15.893 -8.186 -11.012 1.00 0.00 C ATOM 6 CG GLU A 17 -15.501 -8.058 -12.475 1.00 0.00 C ATOM 7 CD GLU A 17 -16.630 -8.433 -13.415 1.00 0.00 C ATOM 8 OE1 GLU A 17 -16.817 -9.642 -13.667 1.00 0.00 O ATOM 9 OE2 GLU A 17 -17.327 -7.517 -13.900 1.00 0.00 O ATOM 0 HA GLU A 17 -14.220 -9.496 -10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -16.773 -8.825 -10.935 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.178 -7.204 -10.634 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -15.191 -7.033 -12.676 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.640 -8.696 -12.674 1.00 0.00 H new ATOM 16 N PHE A 18 -12.541 -7.849 -9.947 1.00 0.00 N ATOM 17 CA PHE A 18 -11.528 -6.861 -9.593 1.00 0.00 C ATOM 18 C PHE A 18 -11.801 -5.533 -10.288 1.00 0.00 C ATOM 19 O PHE A 18 -12.424 -5.496 -11.349 1.00 0.00 O ATOM 20 CB PHE A 18 -10.138 -7.365 -9.979 1.00 0.00 C ATOM 21 CG PHE A 18 -9.411 -8.047 -8.856 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.714 -9.353 -8.511 1.00 0.00 C ATOM 23 CD2 PHE A 18 -8.420 -7.384 -8.152 1.00 0.00 C ATOM 24 CE1 PHE A 18 -9.042 -9.986 -7.484 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.745 -8.011 -7.123 1.00 0.00 C ATOM 26 CZ PHE A 18 -8.057 -9.314 -6.791 1.00 0.00 C ATOM 0 H PHE A 18 -12.172 -8.692 -10.388 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.569 -6.707 -8.515 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -10.232 -8.059 -10.814 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.540 -6.524 -10.329 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.485 -9.883 -9.051 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -8.172 -6.365 -8.410 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.287 -11.005 -7.224 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.975 -7.483 -6.580 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.529 -9.808 -5.988 1.00 0.00 H new ATOM 36 N LYS A 19 -11.329 -4.444 -9.690 1.00 0.00 N ATOM 37 CA LYS A 19 -11.527 -3.122 -10.268 1.00 0.00 C ATOM 38 C LYS A 19 -10.602 -2.090 -9.631 1.00 0.00 C ATOM 39 O LYS A 19 -10.584 -1.916 -8.411 1.00 0.00 O ATOM 40 CB LYS A 19 -12.982 -2.686 -10.104 1.00 0.00 C ATOM 41 CG LYS A 19 -13.456 -2.681 -8.660 1.00 0.00 C ATOM 42 CD LYS A 19 -13.722 -1.268 -8.161 1.00 0.00 C ATOM 43 CE LYS A 19 -14.757 -0.556 -9.018 1.00 0.00 C ATOM 44 NZ LYS A 19 -14.165 0.587 -9.766 1.00 0.00 N ATOM 0 H LYS A 19 -10.810 -4.451 -8.812 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.285 -3.184 -11.329 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -13.102 -1.686 -10.521 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.620 -3.352 -10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.366 -3.275 -8.573 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.705 -3.155 -8.028 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.068 -1.306 -7.128 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.792 -0.699 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.194 -1.264 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.567 -0.195 -8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.884 1.327 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.363 0.975 -9.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -13.834 0.259 -10.696 1.00 0.00 H new ATOM 58 N ASP A 20 -9.842 -1.402 -10.477 1.00 0.00 N ATOM 59 CA ASP A 20 -8.916 -0.369 -10.024 1.00 0.00 C ATOM 60 C ASP A 20 -9.675 0.882 -9.592 1.00 0.00 C ATOM 61 O ASP A 20 -10.184 1.630 -10.425 1.00 0.00 O ATOM 62 CB ASP A 20 -7.927 -0.020 -11.136 1.00 0.00 C ATOM 63 CG ASP A 20 -6.674 0.648 -10.606 1.00 0.00 C ATOM 64 OD1 ASP A 20 -6.800 1.568 -9.769 1.00 0.00 O ATOM 65 OD2 ASP A 20 -5.566 0.252 -11.026 1.00 0.00 O ATOM 0 H ASP A 20 -9.850 -1.543 -11.487 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.365 -0.756 -9.167 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.652 -0.928 -11.672 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.411 0.641 -11.855 1.00 0.00 H new ATOM 70 N VAL A 21 -9.750 1.099 -8.282 1.00 0.00 N ATOM 71 CA VAL A 21 -10.448 2.254 -7.736 1.00 0.00 C ATOM 72 C VAL A 21 -9.566 3.496 -7.758 1.00 0.00 C ATOM 73 O VAL A 21 -8.410 3.461 -7.338 1.00 0.00 O ATOM 74 CB VAL A 21 -10.911 1.993 -6.290 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.774 3.140 -5.787 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.661 0.673 -6.200 1.00 0.00 C ATOM 0 H VAL A 21 -9.334 0.488 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.320 2.424 -8.368 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.029 1.928 -5.653 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.090 2.936 -4.764 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.199 4.066 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.652 3.242 -6.425 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.980 0.505 -5.171 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.535 0.706 -6.851 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.006 -0.140 -6.514 1.00 0.00 H new ATOM 86 N PHE A 22 -10.127 4.595 -8.247 1.00 0.00 N ATOM 87 CA PHE A 22 -9.408 5.860 -8.326 1.00 0.00 C ATOM 88 C PHE A 22 -10.174 6.953 -7.592 1.00 0.00 C ATOM 89 O PHE A 22 -11.186 7.453 -8.084 1.00 0.00 O ATOM 90 CB PHE A 22 -9.202 6.257 -9.789 1.00 0.00 C ATOM 91 CG PHE A 22 -7.825 6.782 -10.084 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.707 6.184 -9.528 1.00 0.00 C ATOM 93 CD2 PHE A 22 -7.651 7.875 -10.919 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.444 6.665 -9.798 1.00 0.00 C ATOM 95 CE2 PHE A 22 -6.386 8.357 -11.194 1.00 0.00 C ATOM 96 CZ PHE A 22 -5.281 7.749 -10.630 1.00 0.00 C ATOM 0 H PHE A 22 -11.084 4.635 -8.597 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.435 5.737 -7.851 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.394 5.391 -10.422 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.936 7.017 -10.057 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -6.826 5.331 -8.876 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.513 8.354 -11.359 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.581 6.190 -9.356 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.261 9.207 -11.848 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.291 8.124 -10.842 1.00 0.00 H new ATOM 106 N ILE A 23 -9.693 7.317 -6.408 1.00 0.00 N ATOM 107 CA ILE A 23 -10.342 8.345 -5.607 1.00 0.00 C ATOM 108 C ILE A 23 -9.498 9.614 -5.543 1.00 0.00 C ATOM 109 O ILE A 23 -8.550 9.704 -4.762 1.00 0.00 O ATOM 110 CB ILE A 23 -10.614 7.845 -4.173 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.400 6.529 -4.215 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.359 8.899 -3.364 1.00 0.00 C ATOM 113 CD1 ILE A 23 -12.872 6.704 -4.529 1.00 0.00 C ATOM 0 H ILE A 23 -8.857 6.915 -5.983 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.291 8.574 -6.093 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.659 7.662 -3.680 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.954 5.874 -4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.301 6.027 -3.253 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.540 8.524 -2.357 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.760 9.808 -3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.312 9.120 -3.845 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.360 5.729 -4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.334 7.332 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -12.982 7.177 -5.505 1.00 0.00 H new ATOM 125 N GLU A 24 -9.855 10.598 -6.363 1.00 0.00 N ATOM 126 CA GLU A 24 -9.137 11.865 -6.392 1.00 0.00 C ATOM 127 C GLU A 24 -9.718 12.825 -5.360 1.00 0.00 C ATOM 128 O GLU A 24 -10.837 13.312 -5.510 1.00 0.00 O ATOM 129 CB GLU A 24 -9.214 12.488 -7.789 1.00 0.00 C ATOM 130 CG GLU A 24 -7.887 13.034 -8.287 1.00 0.00 C ATOM 131 CD GLU A 24 -7.801 14.544 -8.179 1.00 0.00 C ATOM 132 OE1 GLU A 24 -8.857 15.206 -8.260 1.00 0.00 O ATOM 133 OE2 GLU A 24 -6.677 15.064 -8.013 1.00 0.00 O ATOM 0 H GLU A 24 -10.637 10.541 -7.015 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.091 11.676 -6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.575 11.738 -8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.948 13.294 -7.778 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.076 12.586 -7.714 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.744 12.739 -9.326 1.00 0.00 H new ATOM 140 N LYS A 25 -8.953 13.085 -4.304 1.00 0.00 N ATOM 141 CA LYS A 25 -9.401 13.978 -3.242 1.00 0.00 C ATOM 142 C LYS A 25 -8.308 14.970 -2.860 1.00 0.00 C ATOM 143 O LYS A 25 -7.271 15.048 -3.517 1.00 0.00 O ATOM 144 CB LYS A 25 -9.827 13.171 -2.010 1.00 0.00 C ATOM 145 CG LYS A 25 -9.102 11.841 -1.863 1.00 0.00 C ATOM 146 CD LYS A 25 -7.615 12.039 -1.616 1.00 0.00 C ATOM 147 CE LYS A 25 -7.079 11.050 -0.594 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.693 11.720 0.679 1.00 0.00 N ATOM 0 H LYS A 25 -8.023 12.691 -4.162 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.258 14.538 -3.616 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.651 13.770 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.900 12.985 -2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.537 11.278 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.246 11.246 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.072 11.924 -2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.436 13.056 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.836 10.293 -0.390 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.214 10.533 -1.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.658 11.707 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.027 12.705 0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.124 11.217 1.481 1.00 0.00 H new ATOM 162 N GLN A 26 -8.547 15.725 -1.792 1.00 0.00 N ATOM 163 CA GLN A 26 -7.582 16.705 -1.320 1.00 0.00 C ATOM 164 C GLN A 26 -6.914 16.216 -0.040 1.00 0.00 C ATOM 165 O GLN A 26 -7.410 15.302 0.617 1.00 0.00 O ATOM 166 CB GLN A 26 -8.267 18.053 -1.072 1.00 0.00 C ATOM 167 CG GLN A 26 -9.259 18.441 -2.157 1.00 0.00 C ATOM 168 CD GLN A 26 -8.584 18.781 -3.471 1.00 0.00 C ATOM 169 OE1 GLN A 26 -7.872 19.780 -3.576 1.00 0.00 O ATOM 170 NE2 GLN A 26 -8.804 17.950 -4.482 1.00 0.00 N ATOM 0 H GLN A 26 -9.402 15.675 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.819 16.835 -2.088 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.785 18.017 -0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.506 18.829 -0.993 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.959 17.620 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.843 19.298 -1.821 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.401 17.134 -4.350 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.376 18.128 -5.391 1.00 0.00 H new ATOM 179 N LYS A 27 -5.791 16.830 0.311 1.00 0.00 N ATOM 180 CA LYS A 27 -5.066 16.446 1.516 1.00 0.00 C ATOM 181 C LYS A 27 -5.910 16.704 2.753 1.00 0.00 C ATOM 182 O LYS A 27 -6.816 17.537 2.739 1.00 0.00 O ATOM 183 CB LYS A 27 -3.744 17.211 1.613 1.00 0.00 C ATOM 184 CG LYS A 27 -3.043 17.388 0.277 1.00 0.00 C ATOM 185 CD LYS A 27 -1.534 17.295 0.420 1.00 0.00 C ATOM 186 CE LYS A 27 -0.926 16.423 -0.666 1.00 0.00 C ATOM 187 NZ LYS A 27 0.526 16.689 -0.849 1.00 0.00 N ATOM 0 H LYS A 27 -5.364 17.591 -0.217 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.850 15.379 1.458 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.933 18.193 2.047 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.078 16.683 2.296 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.390 16.626 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.310 18.355 -0.149 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.100 18.294 0.372 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.284 16.886 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.073 15.373 -0.412 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.448 16.599 -1.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.900 16.073 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.666 17.684 -1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.029 16.496 0.041 1.00 0.00 H new ATOM 201 N GLY A 28 -5.610 15.978 3.820 1.00 0.00 N ATOM 202 CA GLY A 28 -6.354 16.136 5.052 1.00 0.00 C ATOM 203 C GLY A 28 -7.796 15.689 4.918 1.00 0.00 C ATOM 204 O GLY A 28 -8.632 16.013 5.763 1.00 0.00 O ATOM 0 H GLY A 28 -4.865 15.282 3.854 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.870 15.561 5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.328 17.182 5.357 1.00 0.00 H new ATOM 208 N GLU A 29 -8.094 14.932 3.862 1.00 0.00 N ATOM 209 CA GLU A 29 -9.445 14.436 3.641 1.00 0.00 C ATOM 210 C GLU A 29 -9.429 12.928 3.461 1.00 0.00 C ATOM 211 O GLU A 29 -10.270 12.367 2.761 1.00 0.00 O ATOM 212 CB GLU A 29 -10.078 15.115 2.424 1.00 0.00 C ATOM 213 CG GLU A 29 -11.008 16.262 2.785 1.00 0.00 C ATOM 214 CD GLU A 29 -12.470 15.917 2.576 1.00 0.00 C ATOM 215 OE1 GLU A 29 -12.804 14.714 2.595 1.00 0.00 O ATOM 216 OE2 GLU A 29 -13.279 16.850 2.393 1.00 0.00 O ATOM 0 H GLU A 29 -7.419 14.652 3.151 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.048 14.676 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.287 15.490 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.635 14.373 1.852 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.849 16.539 3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.755 17.134 2.182 1.00 0.00 H new ATOM 223 N ILE A 30 -8.462 12.295 4.122 1.00 0.00 N ATOM 224 CA ILE A 30 -8.277 10.837 4.094 1.00 0.00 C ATOM 225 C ILE A 30 -8.968 10.171 2.904 1.00 0.00 C ATOM 226 O ILE A 30 -8.342 9.891 1.881 1.00 0.00 O ATOM 227 CB ILE A 30 -8.784 10.174 5.395 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.698 11.119 6.174 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.620 9.730 6.265 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.715 10.389 7.015 1.00 0.00 C ATOM 0 H ILE A 30 -7.775 12.781 4.699 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.202 10.686 3.996 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.362 9.294 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.091 11.755 6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.216 11.775 5.474 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.002 9.266 7.175 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.011 9.010 5.719 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.011 10.595 6.527 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.335 11.112 7.545 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.344 9.773 6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.202 9.754 7.737 1.00 0.00 H new ATOM 242 N LEU A 31 -10.260 9.921 3.063 1.00 0.00 N ATOM 243 CA LEU A 31 -11.074 9.283 2.035 1.00 0.00 C ATOM 244 C LEU A 31 -12.475 9.034 2.574 1.00 0.00 C ATOM 245 O LEU A 31 -13.472 9.345 1.922 1.00 0.00 O ATOM 246 CB LEU A 31 -10.451 7.958 1.588 1.00 0.00 C ATOM 247 CG LEU A 31 -10.770 7.549 0.148 1.00 0.00 C ATOM 248 CD1 LEU A 31 -9.521 7.612 -0.717 1.00 0.00 C ATOM 249 CD2 LEU A 31 -11.379 6.155 0.108 1.00 0.00 C ATOM 0 H LEU A 31 -10.776 10.155 3.911 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.124 9.948 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.369 8.026 1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.791 7.169 2.258 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.500 8.253 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.769 7.318 -1.737 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.130 8.630 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -8.767 6.934 -0.317 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.598 5.883 -0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.675 5.438 0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -12.301 6.144 0.690 1.00 0.00 H new ATOM 261 N GLY A 32 -12.535 8.489 3.786 1.00 0.00 N ATOM 262 CA GLY A 32 -13.812 8.220 4.419 1.00 0.00 C ATOM 263 C GLY A 32 -14.353 6.832 4.140 1.00 0.00 C ATOM 264 O GLY A 32 -15.375 6.682 3.471 1.00 0.00 O ATOM 0 H GLY A 32 -11.720 8.229 4.341 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.707 8.349 5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.538 8.958 4.079 1.00 0.00 H new ATOM 268 N VAL A 33 -13.682 5.811 4.667 1.00 0.00 N ATOM 269 CA VAL A 33 -14.127 4.428 4.481 1.00 0.00 C ATOM 270 C VAL A 33 -13.715 3.548 5.658 1.00 0.00 C ATOM 271 O VAL A 33 -12.766 3.857 6.373 1.00 0.00 O ATOM 272 CB VAL A 33 -13.621 3.810 3.147 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.397 4.891 2.100 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.352 2.984 3.341 1.00 0.00 C ATOM 0 H VAL A 33 -12.833 5.911 5.223 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.215 4.464 4.432 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.400 3.134 2.793 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.043 4.434 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.334 5.414 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.653 5.600 2.463 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.036 2.572 2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.562 3.619 3.741 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.551 2.170 4.038 1.00 0.00 H new ATOM 284 N VAL A 34 -14.435 2.450 5.853 1.00 0.00 N ATOM 285 CA VAL A 34 -14.136 1.525 6.940 1.00 0.00 C ATOM 286 C VAL A 34 -13.924 0.113 6.413 1.00 0.00 C ATOM 287 O VAL A 34 -14.814 -0.475 5.797 1.00 0.00 O ATOM 288 CB VAL A 34 -15.249 1.508 8.001 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.848 0.643 9.186 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.572 2.924 8.450 1.00 0.00 C ATOM 0 H VAL A 34 -15.229 2.178 5.274 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.217 1.879 7.407 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.145 1.076 7.556 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.649 0.644 9.925 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.669 -0.377 8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.939 1.041 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.361 2.896 9.201 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.680 3.382 8.878 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.906 3.510 7.594 1.00 0.00 H new ATOM 300 N ILE A 35 -12.735 -0.417 6.654 1.00 0.00 N ATOM 301 CA ILE A 35 -12.380 -1.747 6.207 1.00 0.00 C ATOM 302 C ILE A 35 -12.252 -2.712 7.381 1.00 0.00 C ATOM 303 O ILE A 35 -11.827 -2.328 8.470 1.00 0.00 O ATOM 304 CB ILE A 35 -11.056 -1.724 5.432 1.00 0.00 C ATOM 305 CG1 ILE A 35 -9.966 -1.049 6.263 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.232 -1.018 4.097 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.633 -1.752 6.181 1.00 0.00 C ATOM 0 H ILE A 35 -11.994 0.064 7.164 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.181 -2.091 5.552 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.750 -2.751 5.235 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.847 -0.019 5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.285 -1.009 7.305 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.283 -1.011 3.561 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -11.980 -1.543 3.503 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.559 0.007 4.268 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.904 -1.222 6.793 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.738 -2.774 6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.293 -1.769 5.145 1.00 0.00 H new ATOM 319 N VAL A 36 -12.622 -3.966 7.149 1.00 0.00 N ATOM 320 CA VAL A 36 -12.551 -4.991 8.182 1.00 0.00 C ATOM 321 C VAL A 36 -11.978 -6.288 7.622 1.00 0.00 C ATOM 322 O VAL A 36 -11.891 -6.460 6.408 1.00 0.00 O ATOM 323 CB VAL A 36 -13.941 -5.274 8.784 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.502 -4.025 9.442 1.00 0.00 C ATOM 325 CG2 VAL A 36 -14.891 -5.795 7.716 1.00 0.00 C ATOM 0 H VAL A 36 -12.975 -4.298 6.251 1.00 0.00 H new ATOM 0 HA VAL A 36 -11.894 -4.613 8.965 1.00 0.00 H new ATOM 0 HB VAL A 36 -13.835 -6.043 9.549 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.484 -4.244 9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -13.832 -3.701 10.238 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.593 -3.232 8.699 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.867 -5.989 8.161 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -14.993 -5.051 6.926 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.494 -6.719 7.295 1.00 0.00 H new ATOM 335 N GLU A 37 -11.590 -7.198 8.508 1.00 0.00 N ATOM 336 CA GLU A 37 -11.030 -8.478 8.090 1.00 0.00 C ATOM 337 C GLU A 37 -12.018 -9.234 7.206 1.00 0.00 C ATOM 338 O GLU A 37 -13.197 -9.358 7.535 1.00 0.00 O ATOM 339 CB GLU A 37 -10.655 -9.322 9.309 1.00 0.00 C ATOM 340 CG GLU A 37 -9.162 -9.348 9.586 1.00 0.00 C ATOM 341 CD GLU A 37 -8.844 -9.474 11.064 1.00 0.00 C ATOM 342 OE1 GLU A 37 -9.461 -8.743 11.868 1.00 0.00 O ATOM 343 OE2 GLU A 37 -7.979 -10.302 11.418 1.00 0.00 O ATOM 0 H GLU A 37 -11.653 -7.074 9.518 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.127 -8.283 7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.173 -8.932 10.185 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.007 -10.342 9.158 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.711 -10.183 9.049 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -8.708 -8.436 9.197 1.00 0.00 H new ATOM 350 N SER A 38 -11.524 -9.728 6.076 1.00 0.00 N ATOM 351 CA SER A 38 -12.353 -10.462 5.130 1.00 0.00 C ATOM 352 C SER A 38 -12.767 -11.823 5.682 1.00 0.00 C ATOM 353 O SER A 38 -12.134 -12.840 5.398 1.00 0.00 O ATOM 354 CB SER A 38 -11.606 -10.639 3.809 1.00 0.00 C ATOM 355 OG SER A 38 -10.583 -11.613 3.927 1.00 0.00 O ATOM 0 H SER A 38 -10.549 -9.632 5.793 1.00 0.00 H new ATOM 0 HA SER A 38 -13.260 -9.881 4.961 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.307 -10.936 3.029 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.172 -9.687 3.503 1.00 0.00 H new ATOM 0 HG SER A 38 -10.978 -12.473 4.182 1.00 0.00 H new ATOM 361 N GLY A 39 -13.841 -11.835 6.465 1.00 0.00 N ATOM 362 CA GLY A 39 -14.328 -13.079 7.038 1.00 0.00 C ATOM 363 C GLY A 39 -15.214 -13.859 6.085 1.00 0.00 C ATOM 364 O GLY A 39 -15.628 -14.978 6.390 1.00 0.00 O ATOM 0 H GLY A 39 -14.383 -11.007 6.713 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.478 -13.698 7.326 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.886 -12.860 7.949 1.00 0.00 H new ATOM 368 N TRP A 40 -15.491 -13.275 4.925 1.00 0.00 N ATOM 369 CA TRP A 40 -16.315 -13.918 3.908 1.00 0.00 C ATOM 370 C TRP A 40 -15.734 -15.284 3.540 1.00 0.00 C ATOM 371 O TRP A 40 -14.890 -15.821 4.257 1.00 0.00 O ATOM 372 CB TRP A 40 -16.367 -13.026 2.669 1.00 0.00 C ATOM 373 CG TRP A 40 -15.019 -12.824 2.048 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.803 -12.974 2.656 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.745 -12.434 0.700 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.795 -12.712 1.764 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.346 -12.375 0.562 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.543 -12.131 -0.402 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.729 -12.029 -0.628 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -14.928 -11.782 -1.593 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.532 -11.735 -1.697 1.00 0.00 C ATOM 0 H TRP A 40 -15.153 -12.349 4.664 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.322 -14.064 4.300 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.039 -13.470 1.934 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.787 -12.057 2.940 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.658 -13.257 3.688 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.796 -12.761 1.966 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.620 -12.168 -0.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.653 -11.992 -0.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.534 -11.543 -2.454 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.080 -11.461 -2.639 1.00 0.00 H new ATOM 392 N GLY A 41 -16.165 -15.837 2.408 1.00 0.00 N ATOM 393 CA GLY A 41 -15.645 -17.124 1.975 1.00 0.00 C ATOM 394 C GLY A 41 -14.127 -17.154 1.996 1.00 0.00 C ATOM 395 O GLY A 41 -13.520 -18.216 2.131 1.00 0.00 O ATOM 0 H GLY A 41 -16.859 -15.421 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -16.033 -17.910 2.623 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.999 -17.339 0.967 1.00 0.00 H new ATOM 399 N SER A 42 -13.524 -15.972 1.865 1.00 0.00 N ATOM 400 CA SER A 42 -12.073 -15.813 1.869 1.00 0.00 C ATOM 401 C SER A 42 -11.480 -16.105 0.511 1.00 0.00 C ATOM 402 O SER A 42 -10.673 -17.018 0.334 1.00 0.00 O ATOM 403 CB SER A 42 -11.409 -16.665 2.944 1.00 0.00 C ATOM 404 OG SER A 42 -11.180 -17.990 2.496 1.00 0.00 O ATOM 0 H SER A 42 -14.033 -15.095 1.753 1.00 0.00 H new ATOM 0 HA SER A 42 -11.872 -14.769 2.107 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.462 -16.211 3.235 1.00 0.00 H new ATOM 0 HB3 SER A 42 -12.039 -16.685 3.833 1.00 0.00 H new ATOM 0 HG SER A 42 -12.033 -18.470 2.443 1.00 0.00 H new ATOM 410 N ILE A 43 -11.877 -15.286 -0.439 1.00 0.00 N ATOM 411 CA ILE A 43 -11.397 -15.384 -1.795 1.00 0.00 C ATOM 412 C ILE A 43 -10.010 -14.760 -1.897 1.00 0.00 C ATOM 413 O ILE A 43 -9.167 -15.193 -2.680 1.00 0.00 O ATOM 414 CB ILE A 43 -12.357 -14.665 -2.737 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.773 -15.197 -2.541 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.913 -14.827 -4.171 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.794 -14.530 -3.425 1.00 0.00 C ATOM 0 H ILE A 43 -12.545 -14.530 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.339 -16.435 -2.078 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.351 -13.600 -2.503 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.780 -16.269 -2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -14.062 -15.061 -1.499 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.610 -14.307 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.916 -14.405 -4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.893 -15.886 -4.428 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.778 -14.958 -3.232 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.816 -13.461 -3.213 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.529 -14.688 -4.470 1.00 0.00 H new ATOM 429 N LEU A 44 -9.798 -13.738 -1.076 1.00 0.00 N ATOM 430 CA LEU A 44 -8.536 -13.019 -1.016 1.00 0.00 C ATOM 431 C LEU A 44 -8.400 -12.352 0.351 1.00 0.00 C ATOM 432 O LEU A 44 -8.841 -11.221 0.542 1.00 0.00 O ATOM 433 CB LEU A 44 -8.471 -11.962 -2.120 1.00 0.00 C ATOM 434 CG LEU A 44 -8.623 -12.493 -3.547 1.00 0.00 C ATOM 435 CD1 LEU A 44 -8.662 -11.346 -4.540 1.00 0.00 C ATOM 436 CD2 LEU A 44 -7.489 -13.451 -3.882 1.00 0.00 C ATOM 0 H LEU A 44 -10.503 -13.384 -0.430 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.717 -13.723 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.253 -11.224 -1.940 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.517 -11.440 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.565 -13.037 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.770 -11.742 -5.550 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.507 -10.696 -4.312 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.736 -10.774 -4.472 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.613 -13.819 -4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.535 -12.930 -3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.506 -14.291 -3.188 1.00 0.00 H new ATOM 448 N PRO A 45 -7.814 -13.058 1.331 1.00 0.00 N ATOM 449 CA PRO A 45 -7.650 -12.541 2.696 1.00 0.00 C ATOM 450 C PRO A 45 -7.051 -11.137 2.748 1.00 0.00 C ATOM 451 O PRO A 45 -5.839 -10.979 2.898 1.00 0.00 O ATOM 452 CB PRO A 45 -6.695 -13.548 3.338 1.00 0.00 C ATOM 453 CG PRO A 45 -6.946 -14.820 2.608 1.00 0.00 C ATOM 454 CD PRO A 45 -7.287 -14.430 1.195 1.00 0.00 C ATOM 0 HA PRO A 45 -8.611 -12.444 3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.657 -13.231 3.236 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.892 -13.657 4.404 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.067 -15.464 2.633 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.763 -15.378 3.066 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.410 -14.460 0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.027 -15.102 0.761 1.00 0.00 H new ATOM 462 N THR A 46 -7.905 -10.120 2.642 1.00 0.00 N ATOM 463 CA THR A 46 -7.449 -8.733 2.697 1.00 0.00 C ATOM 464 C THR A 46 -8.321 -7.904 3.646 1.00 0.00 C ATOM 465 O THR A 46 -8.047 -7.838 4.846 1.00 0.00 O ATOM 466 CB THR A 46 -7.419 -8.106 1.294 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.515 -6.697 1.376 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.531 -8.587 0.386 1.00 0.00 C ATOM 0 H THR A 46 -8.911 -10.230 2.518 1.00 0.00 H new ATOM 0 HA THR A 46 -6.432 -8.733 3.088 1.00 0.00 H new ATOM 0 HB THR A 46 -6.467 -8.419 0.864 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.458 -6.312 0.476 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.444 -8.101 -0.585 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.456 -9.667 0.259 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.496 -8.340 0.830 1.00 0.00 H new ATOM 476 N VAL A 47 -9.369 -7.275 3.113 1.00 0.00 N ATOM 477 CA VAL A 47 -10.266 -6.461 3.927 1.00 0.00 C ATOM 478 C VAL A 47 -11.606 -6.257 3.232 1.00 0.00 C ATOM 479 O VAL A 47 -11.752 -6.560 2.049 1.00 0.00 O ATOM 480 CB VAL A 47 -9.656 -5.085 4.249 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.636 -5.200 5.370 1.00 0.00 C ATOM 482 CG2 VAL A 47 -9.029 -4.470 3.008 1.00 0.00 C ATOM 0 H VAL A 47 -9.615 -7.315 2.124 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.418 -7.005 4.859 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.457 -4.426 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.216 -4.217 5.582 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.121 -5.589 6.265 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.838 -5.877 5.067 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.604 -3.498 3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.242 -5.125 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.791 -4.345 2.239 1.00 0.00 H new ATOM 492 N ILE A 48 -12.587 -5.750 3.974 1.00 0.00 N ATOM 493 CA ILE A 48 -13.918 -5.516 3.420 1.00 0.00 C ATOM 494 C ILE A 48 -14.454 -4.140 3.790 1.00 0.00 C ATOM 495 O ILE A 48 -14.512 -3.784 4.967 1.00 0.00 O ATOM 496 CB ILE A 48 -14.947 -6.562 3.910 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.278 -7.674 4.713 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.706 -7.147 2.738 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.264 -8.569 5.430 1.00 0.00 C ATOM 0 H ILE A 48 -12.487 -5.494 4.956 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.796 -5.594 2.340 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.649 -6.050 4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.668 -8.280 4.043 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.603 -7.229 5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.426 -7.881 3.100 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.233 -6.351 2.212 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -15.006 -7.631 2.056 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.723 -9.338 5.982 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.857 -7.974 6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.923 -9.041 4.702 1.00 0.00 H new ATOM 511 N ILE A 49 -14.887 -3.382 2.785 1.00 0.00 N ATOM 512 CA ILE A 49 -15.459 -2.079 3.027 1.00 0.00 C ATOM 513 C ILE A 49 -16.779 -2.245 3.747 1.00 0.00 C ATOM 514 O ILE A 49 -17.822 -2.461 3.132 1.00 0.00 O ATOM 515 CB ILE A 49 -15.668 -1.322 1.712 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.334 -1.188 0.988 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.284 0.040 1.968 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.435 -0.462 -0.327 1.00 0.00 C ATOM 0 H ILE A 49 -14.849 -3.655 1.803 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.773 -1.499 3.643 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.359 -1.883 1.082 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.631 -0.660 1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.922 -2.182 0.814 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.424 0.560 1.020 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.249 -0.084 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.623 0.624 2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.449 -0.403 -0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.113 -1.001 -0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.817 0.545 -0.158 1.00 0.00 H new ATOM 530 N ALA A 50 -16.710 -2.183 5.061 1.00 0.00 N ATOM 531 CA ALA A 50 -17.877 -2.360 5.900 1.00 0.00 C ATOM 532 C ALA A 50 -18.573 -1.036 6.204 1.00 0.00 C ATOM 533 O ALA A 50 -19.638 -1.014 6.820 1.00 0.00 O ATOM 534 CB ALA A 50 -17.459 -3.061 7.175 1.00 0.00 C ATOM 0 H ALA A 50 -15.847 -2.009 5.576 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.603 -2.971 5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.330 -3.200 7.816 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.028 -4.032 6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.718 -2.456 7.697 1.00 0.00 H new ATOM 540 N ASN A 51 -17.973 0.068 5.767 1.00 0.00 N ATOM 541 CA ASN A 51 -18.551 1.386 5.994 1.00 0.00 C ATOM 542 C ASN A 51 -17.875 2.435 5.117 1.00 0.00 C ATOM 543 O ASN A 51 -16.741 2.250 4.676 1.00 0.00 O ATOM 544 CB ASN A 51 -18.433 1.773 7.470 1.00 0.00 C ATOM 545 CG ASN A 51 -19.778 2.079 8.098 1.00 0.00 C ATOM 546 OD1 ASN A 51 -19.896 3.256 8.701 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -20.701 1.267 8.041 1.00 0.00 N flip ATOM 0 H ASN A 51 -17.090 0.075 5.256 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.606 1.345 5.725 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -17.956 0.961 8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.785 2.645 7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.566 0.374 7.567 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -21.601 1.487 8.468 1.00 0.00 H new ATOM 554 N MET A 52 -18.580 3.534 4.863 1.00 0.00 N ATOM 555 CA MET A 52 -18.044 4.606 4.031 1.00 0.00 C ATOM 556 C MET A 52 -18.668 5.950 4.391 1.00 0.00 C ATOM 557 O MET A 52 -19.890 6.070 4.495 1.00 0.00 O ATOM 558 CB MET A 52 -18.284 4.299 2.554 1.00 0.00 C ATOM 559 CG MET A 52 -17.088 4.598 1.665 1.00 0.00 C ATOM 560 SD MET A 52 -17.476 4.452 -0.091 1.00 0.00 S ATOM 561 CE MET A 52 -18.640 3.091 -0.075 1.00 0.00 C ATOM 0 H MET A 52 -19.520 3.705 5.220 1.00 0.00 H new ATOM 0 HA MET A 52 -16.972 4.668 4.215 1.00 0.00 H new ATOM 0 HB2 MET A 52 -18.549 3.247 2.449 1.00 0.00 H new ATOM 0 HB3 MET A 52 -19.138 4.879 2.206 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.729 5.606 1.872 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.276 3.914 1.912 1.00 0.00 H new ATOM 0 HE1 MET A 52 -18.834 2.767 -1.097 1.00 0.00 H new ATOM 0 HE2 MET A 52 -18.222 2.262 0.496 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.573 3.415 0.386 1.00 0.00 H new ATOM 571 N MET A 53 -17.825 6.962 4.571 1.00 0.00 N ATOM 572 CA MET A 53 -18.295 8.298 4.909 1.00 0.00 C ATOM 573 C MET A 53 -19.154 8.863 3.782 1.00 0.00 C ATOM 574 O MET A 53 -18.632 9.340 2.774 1.00 0.00 O ATOM 575 CB MET A 53 -17.113 9.233 5.177 1.00 0.00 C ATOM 576 CG MET A 53 -16.361 8.922 6.462 1.00 0.00 C ATOM 577 SD MET A 53 -15.734 10.405 7.277 1.00 0.00 S ATOM 578 CE MET A 53 -13.999 10.343 6.828 1.00 0.00 C ATOM 0 H MET A 53 -16.812 6.880 4.488 1.00 0.00 H new ATOM 0 HA MET A 53 -18.899 8.226 5.813 1.00 0.00 H new ATOM 0 HB2 MET A 53 -16.419 9.175 4.338 1.00 0.00 H new ATOM 0 HB3 MET A 53 -17.477 10.260 5.220 1.00 0.00 H new ATOM 0 HG2 MET A 53 -17.022 8.389 7.145 1.00 0.00 H new ATOM 0 HG3 MET A 53 -15.528 8.255 6.239 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.460 11.136 7.347 1.00 0.00 H new ATOM 0 HE2 MET A 53 -13.584 9.376 7.113 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.897 10.479 5.751 1.00 0.00 H new ATOM 588 N HIS A 54 -20.469 8.802 3.958 1.00 0.00 N ATOM 589 CA HIS A 54 -21.397 9.306 2.952 1.00 0.00 C ATOM 590 C HIS A 54 -21.281 10.820 2.818 1.00 0.00 C ATOM 591 O HIS A 54 -22.158 11.562 3.261 1.00 0.00 O ATOM 592 CB HIS A 54 -22.832 8.922 3.313 1.00 0.00 C ATOM 593 CG HIS A 54 -23.178 7.506 2.969 1.00 0.00 C ATOM 594 ND1 HIS A 54 -22.801 6.429 3.743 1.00 0.00 N ATOM 595 CD2 HIS A 54 -23.874 6.993 1.925 1.00 0.00 C ATOM 596 CE1 HIS A 54 -23.249 5.315 3.191 1.00 0.00 C ATOM 597 NE2 HIS A 54 -23.903 5.631 2.088 1.00 0.00 N ATOM 0 H HIS A 54 -20.916 8.409 4.786 1.00 0.00 H new ATOM 0 HA HIS A 54 -21.138 8.853 1.995 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.982 9.075 4.382 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.519 9.591 2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -24.322 7.552 1.116 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -23.105 4.316 3.576 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -24.357 4.969 1.459 1.00 0.00 H new ATOM 606 N GLY A 55 -20.191 11.277 2.209 1.00 0.00 N ATOM 607 CA GLY A 55 -19.983 12.700 2.032 1.00 0.00 C ATOM 608 C GLY A 55 -18.597 13.013 1.515 1.00 0.00 C ATOM 609 O GLY A 55 -18.408 13.951 0.743 1.00 0.00 O ATOM 0 H GLY A 55 -19.449 10.686 1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.726 13.091 1.336 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -20.138 13.210 2.983 1.00 0.00 H new ATOM 613 N GLY A 56 -17.625 12.214 1.939 1.00 0.00 N ATOM 614 CA GLY A 56 -16.260 12.415 1.501 1.00 0.00 C ATOM 615 C GLY A 56 -16.060 11.991 0.059 1.00 0.00 C ATOM 616 O GLY A 56 -17.031 11.742 -0.656 1.00 0.00 O ATOM 0 H GLY A 56 -17.760 11.431 2.578 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.995 13.467 1.610 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.586 11.848 2.143 1.00 0.00 H new ATOM 620 N PRO A 57 -14.805 11.895 -0.401 1.00 0.00 N ATOM 621 CA PRO A 57 -14.499 11.492 -1.777 1.00 0.00 C ATOM 622 C PRO A 57 -14.822 10.024 -2.039 1.00 0.00 C ATOM 623 O PRO A 57 -14.913 9.598 -3.191 1.00 0.00 O ATOM 624 CB PRO A 57 -12.994 11.736 -1.893 1.00 0.00 C ATOM 625 CG PRO A 57 -12.486 11.635 -0.497 1.00 0.00 C ATOM 626 CD PRO A 57 -13.583 12.169 0.380 1.00 0.00 C ATOM 0 HA PRO A 57 -15.092 12.047 -2.504 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.522 10.997 -2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.784 12.716 -2.321 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.249 10.602 -0.241 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.570 12.212 -0.372 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.604 11.669 1.348 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.460 13.234 0.574 1.00 0.00 H new ATOM 634 N ALA A 58 -14.991 9.251 -0.968 1.00 0.00 N ATOM 635 CA ALA A 58 -15.297 7.837 -1.096 1.00 0.00 C ATOM 636 C ALA A 58 -16.650 7.634 -1.763 1.00 0.00 C ATOM 637 O ALA A 58 -16.781 6.863 -2.713 1.00 0.00 O ATOM 638 CB ALA A 58 -15.268 7.164 0.268 1.00 0.00 C ATOM 0 H ALA A 58 -14.920 9.584 -0.006 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.536 7.378 -1.727 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.499 6.105 0.156 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.277 7.275 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -16.007 7.630 0.919 1.00 0.00 H new ATOM 644 N GLU A 59 -17.653 8.340 -1.258 1.00 0.00 N ATOM 645 CA GLU A 59 -19.003 8.252 -1.800 1.00 0.00 C ATOM 646 C GLU A 59 -19.117 9.056 -3.093 1.00 0.00 C ATOM 647 O GLU A 59 -19.762 8.627 -4.050 1.00 0.00 O ATOM 648 CB GLU A 59 -20.018 8.764 -0.776 1.00 0.00 C ATOM 649 CG GLU A 59 -21.279 7.920 -0.696 1.00 0.00 C ATOM 650 CD GLU A 59 -22.225 8.174 -1.854 1.00 0.00 C ATOM 651 OE1 GLU A 59 -21.906 7.755 -2.986 1.00 0.00 O ATOM 652 OE2 GLU A 59 -23.286 8.795 -1.628 1.00 0.00 O ATOM 0 H GLU A 59 -17.557 8.982 -0.471 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.217 7.206 -2.021 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.547 8.793 0.207 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.292 9.788 -1.029 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.005 6.865 -0.680 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.794 8.130 0.242 1.00 0.00 H new ATOM 659 N LYS A 60 -18.489 10.227 -3.105 1.00 0.00 N ATOM 660 CA LYS A 60 -18.517 11.103 -4.267 1.00 0.00 C ATOM 661 C LYS A 60 -17.963 10.407 -5.507 1.00 0.00 C ATOM 662 O LYS A 60 -18.363 10.713 -6.630 1.00 0.00 O ATOM 663 CB LYS A 60 -17.717 12.376 -3.987 1.00 0.00 C ATOM 664 CG LYS A 60 -18.479 13.406 -3.170 1.00 0.00 C ATOM 665 CD LYS A 60 -17.932 14.807 -3.392 1.00 0.00 C ATOM 666 CE LYS A 60 -19.042 15.845 -3.385 1.00 0.00 C ATOM 667 NZ LYS A 60 -19.450 16.214 -2.001 1.00 0.00 N ATOM 0 H LYS A 60 -17.952 10.591 -2.318 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.558 11.362 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.801 12.111 -3.459 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.420 12.824 -4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.534 13.379 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.415 13.153 -2.112 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -17.206 15.043 -2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.402 14.845 -4.344 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.708 16.737 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -19.905 15.457 -3.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -20.209 16.924 -2.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -19.793 15.368 -1.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -18.633 16.608 -1.492 1.00 0.00 H new ATOM 681 N SER A 61 -17.038 9.475 -5.299 1.00 0.00 N ATOM 682 CA SER A 61 -16.433 8.746 -6.404 1.00 0.00 C ATOM 683 C SER A 61 -17.443 7.809 -7.054 1.00 0.00 C ATOM 684 O SER A 61 -17.826 7.996 -8.210 1.00 0.00 O ATOM 685 CB SER A 61 -15.219 7.953 -5.914 1.00 0.00 C ATOM 686 OG SER A 61 -14.048 8.326 -6.617 1.00 0.00 O ATOM 0 H SER A 61 -16.693 9.209 -4.377 1.00 0.00 H new ATOM 0 HA SER A 61 -16.106 9.470 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.076 8.124 -4.847 1.00 0.00 H new ATOM 0 HB3 SER A 61 -15.401 6.886 -6.045 1.00 0.00 H new ATOM 0 HG SER A 61 -13.549 8.987 -6.093 1.00 0.00 H new ATOM 692 N GLY A 62 -17.869 6.798 -6.306 1.00 0.00 N ATOM 693 CA GLY A 62 -18.829 5.844 -6.827 1.00 0.00 C ATOM 694 C GLY A 62 -18.210 4.482 -7.062 1.00 0.00 C ATOM 695 O GLY A 62 -18.869 3.456 -6.898 1.00 0.00 O ATOM 0 H GLY A 62 -17.567 6.622 -5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.660 5.748 -6.128 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.242 6.220 -7.763 1.00 0.00 H new ATOM 699 N LYS A 63 -16.936 4.473 -7.444 1.00 0.00 N ATOM 700 CA LYS A 63 -16.231 3.218 -7.698 1.00 0.00 C ATOM 701 C LYS A 63 -16.173 2.364 -6.435 1.00 0.00 C ATOM 702 O LYS A 63 -16.125 1.137 -6.508 1.00 0.00 O ATOM 703 CB LYS A 63 -14.813 3.452 -8.233 1.00 0.00 C ATOM 704 CG LYS A 63 -14.149 4.727 -7.741 1.00 0.00 C ATOM 705 CD LYS A 63 -13.833 5.664 -8.896 1.00 0.00 C ATOM 706 CE LYS A 63 -14.844 6.793 -8.995 1.00 0.00 C ATOM 707 NZ LYS A 63 -14.193 8.100 -9.284 1.00 0.00 N ATOM 0 H LYS A 63 -16.374 5.312 -7.584 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.795 2.688 -8.465 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.189 2.603 -7.953 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.850 3.475 -9.322 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.804 5.230 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.231 4.480 -7.208 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.834 6.080 -8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.823 5.101 -9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -15.566 6.566 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.401 6.864 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.847 8.701 -9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.949 8.572 -8.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.328 7.942 -9.839 1.00 0.00 H new ATOM 721 N LEU A 64 -16.178 3.021 -5.280 1.00 0.00 N ATOM 722 CA LEU A 64 -16.128 2.318 -4.004 1.00 0.00 C ATOM 723 C LEU A 64 -17.534 2.058 -3.473 1.00 0.00 C ATOM 724 O LEU A 64 -18.298 2.991 -3.227 1.00 0.00 O ATOM 725 CB LEU A 64 -15.327 3.125 -2.980 1.00 0.00 C ATOM 726 CG LEU A 64 -13.810 2.964 -3.075 1.00 0.00 C ATOM 727 CD1 LEU A 64 -13.121 3.724 -1.954 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.426 1.491 -3.039 1.00 0.00 C ATOM 0 H LEU A 64 -16.216 4.037 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.634 1.360 -4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.573 4.180 -3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.646 2.833 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.479 3.382 -4.026 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.042 3.597 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.369 4.783 -2.026 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.458 3.338 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.342 1.396 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.771 1.048 -2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.890 0.973 -3.879 1.00 0.00 H new ATOM 740 N ASN A 65 -17.866 0.784 -3.303 1.00 0.00 N ATOM 741 CA ASN A 65 -19.178 0.400 -2.800 1.00 0.00 C ATOM 742 C ASN A 65 -19.045 -0.644 -1.700 1.00 0.00 C ATOM 743 O ASN A 65 -18.350 -1.646 -1.863 1.00 0.00 O ATOM 744 CB ASN A 65 -20.043 -0.146 -3.938 1.00 0.00 C ATOM 745 CG ASN A 65 -20.485 0.939 -4.900 1.00 0.00 C ATOM 746 OD1 ASN A 65 -21.247 1.834 -4.535 1.00 0.00 O ATOM 747 ND2 ASN A 65 -20.006 0.864 -6.135 1.00 0.00 N ATOM 0 H ASN A 65 -17.245 0.000 -3.506 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.658 1.285 -2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.483 -0.906 -4.484 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.922 -0.637 -3.519 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.267 1.567 -6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.377 0.104 -6.393 1.00 0.00 H new ATOM 754 N ILE A 66 -19.712 -0.402 -0.576 1.00 0.00 N ATOM 755 CA ILE A 66 -19.668 -1.315 0.555 1.00 0.00 C ATOM 756 C ILE A 66 -19.851 -2.764 0.122 1.00 0.00 C ATOM 757 O ILE A 66 -20.627 -3.063 -0.786 1.00 0.00 O ATOM 758 CB ILE A 66 -20.732 -0.931 1.589 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.402 0.453 2.129 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.805 -1.952 2.719 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.085 0.510 2.865 1.00 0.00 C ATOM 0 H ILE A 66 -20.292 0.424 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.680 -1.230 1.008 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.712 -0.919 1.111 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.378 1.162 1.301 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.199 0.773 2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.569 -1.649 3.434 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -21.058 -2.930 2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.839 -2.008 3.222 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -18.912 1.525 3.223 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.112 -0.174 3.713 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.279 0.221 2.191 1.00 0.00 H new ATOM 773 N GLY A 67 -19.118 -3.655 0.777 1.00 0.00 N ATOM 774 CA GLY A 67 -19.195 -5.064 0.451 1.00 0.00 C ATOM 775 C GLY A 67 -18.116 -5.494 -0.527 1.00 0.00 C ATOM 776 O GLY A 67 -18.171 -6.596 -1.074 1.00 0.00 O ATOM 0 H GLY A 67 -18.470 -3.425 1.530 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -19.107 -5.651 1.365 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.175 -5.282 0.026 1.00 0.00 H new ATOM 780 N ASP A 68 -17.130 -4.626 -0.750 1.00 0.00 N ATOM 781 CA ASP A 68 -16.041 -4.931 -1.668 1.00 0.00 C ATOM 782 C ASP A 68 -14.760 -5.245 -0.902 1.00 0.00 C ATOM 783 O ASP A 68 -14.628 -4.901 0.273 1.00 0.00 O ATOM 784 CB ASP A 68 -15.803 -3.761 -2.623 1.00 0.00 C ATOM 785 CG ASP A 68 -17.028 -3.437 -3.454 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.886 -4.330 -3.623 1.00 0.00 O ATOM 787 OD2 ASP A 68 -17.131 -2.290 -3.937 1.00 0.00 O ATOM 0 H ASP A 68 -17.066 -3.709 -0.307 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.324 -5.809 -2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.513 -2.881 -2.050 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.970 -3.999 -3.285 1.00 0.00 H new ATOM 792 N GLN A 69 -13.818 -5.900 -1.573 1.00 0.00 N ATOM 793 CA GLN A 69 -12.550 -6.259 -0.952 1.00 0.00 C ATOM 794 C GLN A 69 -11.396 -5.492 -1.588 1.00 0.00 C ATOM 795 O GLN A 69 -11.147 -5.611 -2.787 1.00 0.00 O ATOM 796 CB GLN A 69 -12.303 -7.763 -1.078 1.00 0.00 C ATOM 797 CG GLN A 69 -13.259 -8.605 -0.252 1.00 0.00 C ATOM 798 CD GLN A 69 -12.583 -9.237 0.947 1.00 0.00 C ATOM 799 OE1 GLN A 69 -13.072 -9.139 2.071 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.451 -9.888 0.709 1.00 0.00 N ATOM 0 H GLN A 69 -13.909 -6.192 -2.546 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.605 -5.992 0.103 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.390 -8.051 -2.126 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.280 -7.982 -0.771 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.087 -7.982 0.087 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.685 -9.388 -0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.084 -9.942 -0.241 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.948 -10.334 1.476 1.00 0.00 H new ATOM 809 N ILE A 70 -10.693 -4.708 -0.779 1.00 0.00 N ATOM 810 CA ILE A 70 -9.565 -3.923 -1.271 1.00 0.00 C ATOM 811 C ILE A 70 -8.264 -4.715 -1.176 1.00 0.00 C ATOM 812 O ILE A 70 -7.644 -4.783 -0.116 1.00 0.00 O ATOM 813 CB ILE A 70 -9.411 -2.608 -0.484 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.753 -1.872 -0.407 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.346 -1.725 -1.122 1.00 0.00 C ATOM 816 CD1 ILE A 70 -11.023 -1.247 0.944 1.00 0.00 C ATOM 0 H ILE A 70 -10.882 -4.598 0.217 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.771 -3.690 -2.316 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.092 -2.846 0.531 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.775 -1.093 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.556 -2.571 -0.642 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.251 -0.800 -0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.391 -2.250 -1.123 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.633 -1.492 -2.147 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.990 -0.743 0.925 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.033 -2.024 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.241 -0.523 1.173 1.00 0.00 H new ATOM 828 N MET A 71 -7.862 -5.318 -2.290 1.00 0.00 N ATOM 829 CA MET A 71 -6.640 -6.114 -2.335 1.00 0.00 C ATOM 830 C MET A 71 -5.420 -5.294 -1.925 1.00 0.00 C ATOM 831 O MET A 71 -4.780 -5.582 -0.914 1.00 0.00 O ATOM 832 CB MET A 71 -6.429 -6.690 -3.735 1.00 0.00 C ATOM 833 CG MET A 71 -7.134 -8.015 -3.959 1.00 0.00 C ATOM 834 SD MET A 71 -8.920 -7.833 -4.123 1.00 0.00 S ATOM 835 CE MET A 71 -9.489 -8.979 -2.870 1.00 0.00 C ATOM 0 H MET A 71 -8.366 -5.271 -3.176 1.00 0.00 H new ATOM 0 HA MET A 71 -6.756 -6.930 -1.622 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.784 -5.970 -4.472 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.361 -6.823 -3.907 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.737 -8.486 -4.858 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.916 -8.683 -3.126 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.215 -9.665 -3.307 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.642 -9.545 -2.483 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.958 -8.425 -2.056 1.00 0.00 H new ATOM 845 N SER A 72 -5.093 -4.280 -2.720 1.00 0.00 N ATOM 846 CA SER A 72 -3.939 -3.435 -2.433 1.00 0.00 C ATOM 847 C SER A 72 -4.263 -1.963 -2.656 1.00 0.00 C ATOM 848 O SER A 72 -5.092 -1.617 -3.499 1.00 0.00 O ATOM 849 CB SER A 72 -2.754 -3.844 -3.309 1.00 0.00 C ATOM 850 OG SER A 72 -2.966 -3.477 -4.661 1.00 0.00 O ATOM 0 H SER A 72 -5.607 -4.024 -3.563 1.00 0.00 H new ATOM 0 HA SER A 72 -3.677 -3.572 -1.384 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.844 -3.371 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.603 -4.921 -3.241 1.00 0.00 H new ATOM 0 HG SER A 72 -2.193 -3.748 -5.199 1.00 0.00 H new ATOM 856 N ILE A 73 -3.601 -1.099 -1.894 1.00 0.00 N ATOM 857 CA ILE A 73 -3.810 0.334 -2.001 1.00 0.00 C ATOM 858 C ILE A 73 -2.529 1.043 -2.436 1.00 0.00 C ATOM 859 O ILE A 73 -1.516 1.000 -1.738 1.00 0.00 O ATOM 860 CB ILE A 73 -4.284 0.920 -0.657 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.610 0.283 -0.234 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.422 2.428 -0.758 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.553 -0.373 1.126 1.00 0.00 C ATOM 0 H ILE A 73 -2.912 -1.372 -1.193 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.580 0.496 -2.755 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.537 0.693 0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.387 1.048 -0.228 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.901 -0.461 -0.976 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.758 2.828 0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.457 2.865 -1.016 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.150 2.676 -1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.526 -0.804 1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.799 -1.160 1.119 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.293 0.371 1.878 1.00 0.00 H new ATOM 875 N ASN A 74 -2.583 1.696 -3.593 1.00 0.00 N ATOM 876 CA ASN A 74 -1.429 2.416 -4.120 1.00 0.00 C ATOM 877 C ASN A 74 -0.218 1.496 -4.251 1.00 0.00 C ATOM 878 O ASN A 74 0.926 1.944 -4.155 1.00 0.00 O ATOM 879 CB ASN A 74 -1.086 3.601 -3.216 1.00 0.00 C ATOM 880 CG ASN A 74 -2.030 4.772 -3.414 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.795 5.095 -2.379 1.00 0.00 O flip ATOM 882 ND2 ASN A 74 -2.070 5.378 -4.484 1.00 0.00 N flip ATOM 0 H ASN A 74 -3.414 1.741 -4.183 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.688 2.784 -5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -1.121 3.282 -2.174 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -0.064 3.924 -3.416 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.463 5.095 -5.253 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.710 6.164 -4.602 1.00 0.00 H new ATOM 889 N GLY A 75 -0.476 0.212 -4.472 1.00 0.00 N ATOM 890 CA GLY A 75 0.605 -0.747 -4.611 1.00 0.00 C ATOM 891 C GLY A 75 0.945 -1.443 -3.306 1.00 0.00 C ATOM 892 O GLY A 75 1.971 -2.116 -3.207 1.00 0.00 O ATOM 0 H GLY A 75 -1.413 -0.182 -4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.328 -1.494 -5.355 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.492 -0.236 -4.987 1.00 0.00 H new ATOM 896 N THR A 76 0.086 -1.285 -2.304 1.00 0.00 N ATOM 897 CA THR A 76 0.307 -1.907 -1.004 1.00 0.00 C ATOM 898 C THR A 76 -0.539 -3.168 -0.857 1.00 0.00 C ATOM 899 O THR A 76 -1.712 -3.101 -0.492 1.00 0.00 O ATOM 900 CB THR A 76 -0.023 -0.926 0.116 1.00 0.00 C ATOM 901 OG1 THR A 76 0.432 0.376 -0.207 1.00 0.00 O ATOM 902 CG2 THR A 76 0.586 -1.310 1.448 1.00 0.00 C ATOM 0 H THR A 76 -0.769 -0.732 -2.368 1.00 0.00 H new ATOM 0 HA THR A 76 1.359 -2.184 -0.935 1.00 0.00 H new ATOM 0 HB THR A 76 -1.108 -0.952 0.212 1.00 0.00 H new ATOM 0 HG1 THR A 76 -0.325 0.922 -0.506 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.312 -0.570 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.214 -2.289 1.750 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.671 -1.348 1.355 1.00 0.00 H new ATOM 910 N SER A 77 0.065 -4.315 -1.147 1.00 0.00 N ATOM 911 CA SER A 77 -0.630 -5.594 -1.054 1.00 0.00 C ATOM 912 C SER A 77 -1.167 -5.829 0.355 1.00 0.00 C ATOM 913 O SER A 77 -0.425 -5.752 1.334 1.00 0.00 O ATOM 914 CB SER A 77 0.306 -6.737 -1.452 1.00 0.00 C ATOM 915 OG SER A 77 0.153 -7.068 -2.821 1.00 0.00 O ATOM 0 H SER A 77 1.037 -4.385 -1.449 1.00 0.00 H new ATOM 0 HA SER A 77 -1.475 -5.566 -1.742 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.339 -6.450 -1.257 1.00 0.00 H new ATOM 0 HB3 SER A 77 0.098 -7.613 -0.837 1.00 0.00 H new ATOM 0 HG SER A 77 0.763 -7.800 -3.051 1.00 0.00 H new ATOM 921 N LEU A 78 -2.461 -6.119 0.448 1.00 0.00 N ATOM 922 CA LEU A 78 -3.100 -6.372 1.734 1.00 0.00 C ATOM 923 C LEU A 78 -3.463 -7.847 1.885 1.00 0.00 C ATOM 924 O LEU A 78 -3.605 -8.350 2.998 1.00 0.00 O ATOM 925 CB LEU A 78 -4.359 -5.517 1.881 1.00 0.00 C ATOM 926 CG LEU A 78 -4.182 -4.038 1.542 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.531 -3.334 1.501 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.258 -3.371 2.552 1.00 0.00 C ATOM 0 H LEU A 78 -3.088 -6.185 -0.354 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.390 -6.106 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.137 -5.930 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.717 -5.598 2.907 1.00 0.00 H new ATOM 0 HG LEU A 78 -3.727 -3.960 0.554 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.385 -2.282 1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.160 -3.798 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.015 -3.418 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.141 -2.318 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.687 -3.458 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.284 -3.859 2.532 1.00 0.00 H new ATOM 940 N VAL A 79 -3.617 -8.532 0.756 1.00 0.00 N ATOM 941 CA VAL A 79 -3.969 -9.946 0.761 1.00 0.00 C ATOM 942 C VAL A 79 -2.970 -10.768 1.574 1.00 0.00 C ATOM 943 O VAL A 79 -1.992 -11.280 1.030 1.00 0.00 O ATOM 944 CB VAL A 79 -4.034 -10.513 -0.670 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.598 -11.925 -0.660 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.863 -9.605 -1.565 1.00 0.00 C ATOM 0 H VAL A 79 -3.503 -8.129 -0.174 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.954 -10.020 1.223 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.022 -10.555 -1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.636 -12.309 -1.680 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.959 -12.568 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.603 -11.912 -0.239 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.898 -10.021 -2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.875 -9.529 -1.168 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.410 -8.614 -1.597 1.00 0.00 H new ATOM 956 N GLY A 80 -3.224 -10.897 2.874 1.00 0.00 N ATOM 957 CA GLY A 80 -2.335 -11.667 3.725 1.00 0.00 C ATOM 958 C GLY A 80 -2.111 -11.037 5.088 1.00 0.00 C ATOM 959 O GLY A 80 -2.031 -11.740 6.094 1.00 0.00 O ATOM 0 H GLY A 80 -4.026 -10.484 3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.747 -12.667 3.858 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.374 -11.783 3.224 1.00 0.00 H new ATOM 963 N LEU A 81 -1.998 -9.712 5.125 1.00 0.00 N ATOM 964 CA LEU A 81 -1.768 -9.003 6.383 1.00 0.00 C ATOM 965 C LEU A 81 -3.069 -8.808 7.161 1.00 0.00 C ATOM 966 O LEU A 81 -4.160 -8.875 6.598 1.00 0.00 O ATOM 967 CB LEU A 81 -1.102 -7.645 6.134 1.00 0.00 C ATOM 968 CG LEU A 81 -1.529 -6.925 4.855 1.00 0.00 C ATOM 969 CD1 LEU A 81 -1.583 -5.422 5.082 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.580 -7.264 3.713 1.00 0.00 C ATOM 0 H LEU A 81 -2.061 -9.110 4.304 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.098 -9.620 6.982 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.314 -6.995 6.983 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.022 -7.790 6.105 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.528 -7.265 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.889 -4.926 4.161 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.302 -5.199 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.597 -5.063 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.898 -6.744 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.431 -6.952 3.975 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.593 -8.339 3.536 1.00 0.00 H new ATOM 982 N PRO A 82 -2.958 -8.564 8.481 1.00 0.00 N ATOM 983 CA PRO A 82 -4.121 -8.358 9.357 1.00 0.00 C ATOM 984 C PRO A 82 -4.901 -7.096 9.010 1.00 0.00 C ATOM 985 O PRO A 82 -4.601 -6.417 8.027 1.00 0.00 O ATOM 986 CB PRO A 82 -3.501 -8.232 10.752 1.00 0.00 C ATOM 987 CG PRO A 82 -2.094 -7.806 10.507 1.00 0.00 C ATOM 988 CD PRO A 82 -1.688 -8.472 9.225 1.00 0.00 C ATOM 0 HA PRO A 82 -4.842 -9.170 9.265 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.036 -7.501 11.358 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.539 -9.180 11.289 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.021 -6.721 10.425 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -1.444 -8.108 11.328 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -0.945 -7.886 8.684 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.252 -9.455 9.402 1.00 0.00 H new ATOM 996 N LEU A 83 -5.908 -6.789 9.825 1.00 0.00 N ATOM 997 CA LEU A 83 -6.741 -5.610 9.610 1.00 0.00 C ATOM 998 C LEU A 83 -6.038 -4.341 10.078 1.00 0.00 C ATOM 999 O LEU A 83 -6.019 -3.336 9.369 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.075 -5.764 10.339 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.216 -4.898 9.803 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.073 -3.465 10.289 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -9.267 -4.943 8.282 1.00 0.00 C ATOM 0 H LEU A 83 -6.166 -7.342 10.642 1.00 0.00 H new ATOM 0 HA LEU A 83 -6.924 -5.522 8.539 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -8.379 -6.809 10.288 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -7.924 -5.527 11.392 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.154 -5.301 10.185 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.894 -2.864 9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.097 -3.446 11.379 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.125 -3.055 9.940 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -10.087 -4.319 7.927 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.326 -4.572 7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.424 -5.970 7.953 1.00 0.00 H new ATOM 1015 N SER A 84 -5.457 -4.393 11.274 1.00 0.00 N ATOM 1016 CA SER A 84 -4.754 -3.240 11.827 1.00 0.00 C ATOM 1017 C SER A 84 -3.705 -2.730 10.845 1.00 0.00 C ATOM 1018 O SER A 84 -3.561 -1.523 10.640 1.00 0.00 O ATOM 1019 CB SER A 84 -4.090 -3.609 13.155 1.00 0.00 C ATOM 1020 OG SER A 84 -5.040 -4.113 14.078 1.00 0.00 O ATOM 0 H SER A 84 -5.459 -5.217 11.876 1.00 0.00 H new ATOM 0 HA SER A 84 -5.482 -2.448 12.003 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.315 -4.355 12.982 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.599 -2.731 13.576 1.00 0.00 H new ATOM 0 HG SER A 84 -4.590 -4.343 14.918 1.00 0.00 H new ATOM 1026 N THR A 85 -2.983 -3.661 10.234 1.00 0.00 N ATOM 1027 CA THR A 85 -1.955 -3.310 9.267 1.00 0.00 C ATOM 1028 C THR A 85 -2.563 -2.585 8.073 1.00 0.00 C ATOM 1029 O THR A 85 -2.079 -1.527 7.672 1.00 0.00 O ATOM 1030 CB THR A 85 -1.211 -4.562 8.805 1.00 0.00 C ATOM 1031 OG1 THR A 85 -0.528 -5.170 9.887 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.195 -4.295 7.714 1.00 0.00 C ATOM 0 H THR A 85 -3.091 -4.663 10.392 1.00 0.00 H new ATOM 0 HA THR A 85 -1.245 -2.639 9.750 1.00 0.00 H new ATOM 0 HB THR A 85 -1.983 -5.219 8.404 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.060 -5.970 9.570 1.00 0.00 H new ATOM 0 HG21 THR A 85 0.294 -5.229 7.436 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.698 -3.876 6.843 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.551 -3.588 8.077 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.629 -3.152 7.509 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.296 -2.544 6.362 1.00 0.00 C ATOM 1042 C CYS A 86 -4.737 -1.122 6.686 1.00 0.00 C ATOM 1043 O CYS A 86 -4.507 -0.196 5.905 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.500 -3.385 5.939 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.086 -5.086 5.485 1.00 0.00 S ATOM 0 H CYS A 86 -4.046 -4.027 7.827 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.586 -2.506 5.536 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.222 -3.403 6.755 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -5.988 -2.902 5.092 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.157 -5.846 6.538 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.357 -0.949 7.851 1.00 0.00 N ATOM 1052 CA GLN A 87 -5.810 0.368 8.280 1.00 0.00 C ATOM 1053 C GLN A 87 -4.658 1.362 8.206 1.00 0.00 C ATOM 1054 O GLN A 87 -4.821 2.489 7.739 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.361 0.308 9.706 1.00 0.00 C ATOM 1056 CG GLN A 87 -7.850 0.015 9.768 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.327 -0.279 11.178 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -9.120 0.472 11.747 1.00 0.00 O ATOM 1059 NE2 GLN A 87 -7.845 -1.376 11.747 1.00 0.00 N ATOM 0 H GLN A 87 -5.556 -1.701 8.511 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.609 0.696 7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.824 -0.460 10.263 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.165 1.258 10.203 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.401 0.868 9.372 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.076 -0.837 9.127 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.190 -1.969 11.238 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.130 -1.627 12.694 1.00 0.00 H new ATOM 1068 N SER A 88 -3.488 0.925 8.660 1.00 0.00 N ATOM 1069 CA SER A 88 -2.298 1.758 8.634 1.00 0.00 C ATOM 1070 C SER A 88 -1.950 2.145 7.199 1.00 0.00 C ATOM 1071 O SER A 88 -1.511 3.266 6.933 1.00 0.00 O ATOM 1072 CB SER A 88 -1.122 1.019 9.282 1.00 0.00 C ATOM 1073 OG SER A 88 -0.432 0.223 8.334 1.00 0.00 O ATOM 0 H SER A 88 -3.342 -0.006 9.051 1.00 0.00 H new ATOM 0 HA SER A 88 -2.498 2.668 9.200 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.435 1.740 9.724 1.00 0.00 H new ATOM 0 HB3 SER A 88 -1.487 0.389 10.093 1.00 0.00 H new ATOM 0 HG SER A 88 -1.073 -0.338 7.849 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.157 1.206 6.278 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.872 1.440 4.868 1.00 0.00 C ATOM 1081 C ILE A 89 -2.665 2.628 4.342 1.00 0.00 C ATOM 1082 O ILE A 89 -2.112 3.525 3.708 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.215 0.202 4.019 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.599 -1.057 4.632 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.741 0.389 2.587 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.088 -1.079 4.584 1.00 0.00 C ATOM 0 H ILE A 89 -2.521 0.276 6.485 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.805 1.649 4.788 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.298 0.082 4.008 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.922 -1.141 5.670 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.983 -1.932 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.992 -0.496 2.002 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.230 1.261 2.153 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.661 0.536 2.577 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.277 -2.001 5.036 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.244 -1.027 3.547 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.306 -0.224 5.134 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.965 2.627 4.612 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.835 3.696 4.173 1.00 0.00 C ATOM 1100 C ILE A 90 -4.577 4.976 4.960 1.00 0.00 C ATOM 1101 O ILE A 90 -4.491 6.063 4.391 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.306 3.294 4.332 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.569 1.953 3.644 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -7.197 4.373 3.763 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.988 1.456 3.814 1.00 0.00 C ATOM 0 H ILE A 90 -4.436 1.890 5.137 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.620 3.880 3.120 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.531 3.180 5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.351 2.050 2.580 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.881 1.208 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.241 4.082 3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -7.020 5.308 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.974 4.509 2.705 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.103 0.501 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.203 1.326 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.681 2.182 3.389 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.455 4.840 6.273 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.203 5.988 7.136 1.00 0.00 C ATOM 1119 C LYS A 91 -2.914 6.700 6.736 1.00 0.00 C ATOM 1120 O LYS A 91 -2.711 7.869 7.062 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.130 5.551 8.600 1.00 0.00 C ATOM 1122 CG LYS A 91 -5.493 5.412 9.261 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.546 4.209 10.191 1.00 0.00 C ATOM 1124 CE LYS A 91 -5.798 4.626 11.632 1.00 0.00 C ATOM 1125 NZ LYS A 91 -5.909 3.451 12.538 1.00 0.00 N ATOM 0 H LYS A 91 -4.526 3.949 6.764 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.032 6.686 7.017 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.607 4.597 8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.537 6.275 9.158 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.719 6.318 9.824 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.261 5.314 8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.334 3.531 9.865 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.607 3.659 10.130 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.987 5.270 11.971 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.715 5.213 11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -6.081 3.777 13.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -6.699 2.849 12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -5.025 2.904 12.507 1.00 0.00 H new ATOM 1139 N GLY A 92 -2.051 5.984 6.028 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.790 6.555 5.591 1.00 0.00 C ATOM 1141 C GLY A 92 -0.930 7.435 4.359 1.00 0.00 C ATOM 1142 O GLY A 92 -0.068 8.272 4.093 1.00 0.00 O ATOM 0 H GLY A 92 -2.201 5.015 5.747 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.363 7.143 6.404 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -0.088 5.749 5.377 1.00 0.00 H new ATOM 1146 N LEU A 93 -2.012 7.250 3.603 1.00 0.00 N ATOM 1147 CA LEU A 93 -2.237 8.045 2.398 1.00 0.00 C ATOM 1148 C LEU A 93 -3.236 9.170 2.655 1.00 0.00 C ATOM 1149 O LEU A 93 -4.127 9.422 1.844 1.00 0.00 O ATOM 1150 CB LEU A 93 -2.722 7.168 1.242 1.00 0.00 C ATOM 1151 CG LEU A 93 -3.844 6.194 1.587 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -5.163 6.930 1.762 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -3.967 5.124 0.516 1.00 0.00 C ATOM 0 H LEU A 93 -2.740 6.563 3.802 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.281 8.490 2.120 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -3.062 7.816 0.434 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.875 6.599 0.859 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.598 5.710 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.949 6.215 2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.069 7.658 2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.418 7.445 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.772 4.438 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.188 5.593 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.030 4.573 0.443 1.00 0.00 H new ATOM 1165 N LYS A 94 -3.077 9.848 3.784 1.00 0.00 N ATOM 1166 CA LYS A 94 -3.960 10.951 4.143 1.00 0.00 C ATOM 1167 C LYS A 94 -3.469 12.270 3.550 1.00 0.00 C ATOM 1168 O LYS A 94 -4.142 13.295 3.658 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.064 11.073 5.664 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.132 12.054 6.121 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.567 13.095 7.074 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.889 12.755 8.521 1.00 0.00 C ATOM 1173 NZ LYS A 94 -3.829 13.228 9.452 1.00 0.00 N ATOM 0 H LYS A 94 -2.345 9.654 4.467 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.946 10.737 3.730 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.279 10.091 6.086 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.099 11.387 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.565 12.552 5.253 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.939 11.511 6.612 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.487 13.160 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.976 14.075 6.829 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.842 13.207 8.796 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.006 11.676 8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.087 12.977 10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -2.924 12.778 9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -3.734 14.261 9.374 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.292 12.244 2.926 1.00 0.00 N ATOM 1188 CA ASN A 95 -1.724 13.445 2.327 1.00 0.00 C ATOM 1189 C ASN A 95 -1.452 13.244 0.838 1.00 0.00 C ATOM 1190 O ASN A 95 -0.336 13.463 0.364 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.431 13.835 3.047 1.00 0.00 C ATOM 1192 CG ASN A 95 -0.590 13.846 4.554 1.00 0.00 C ATOM 1193 OD1 ASN A 95 0.087 13.105 5.266 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -1.491 14.688 5.047 1.00 0.00 N ATOM 0 H ASN A 95 -1.718 11.407 2.824 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.451 14.250 2.435 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.359 13.136 2.773 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.114 14.822 2.710 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.644 14.739 6.054 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -2.030 15.284 4.418 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.480 12.833 0.102 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.352 12.615 -1.337 1.00 0.00 C ATOM 1203 C GLN A 96 -3.553 13.193 -2.078 1.00 0.00 C ATOM 1204 O GLN A 96 -4.603 13.434 -1.483 1.00 0.00 O ATOM 1205 CB GLN A 96 -2.205 11.124 -1.645 1.00 0.00 C ATOM 1206 CG GLN A 96 -3.368 10.278 -1.156 1.00 0.00 C ATOM 1207 CD GLN A 96 -3.356 8.880 -1.744 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -4.399 8.339 -2.109 1.00 0.00 O ATOM 1209 NE2 GLN A 96 -2.171 8.285 -1.835 1.00 0.00 N ATOM 0 H GLN A 96 -3.410 12.644 0.476 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.454 13.130 -1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.101 10.994 -2.722 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -1.285 10.758 -1.190 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.333 10.212 -0.069 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.305 10.770 -1.415 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -1.331 8.771 -1.520 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.102 7.343 -2.220 1.00 0.00 H new ATOM 1218 N SER A 97 -3.391 13.426 -3.378 1.00 0.00 N ATOM 1219 CA SER A 97 -4.465 13.991 -4.190 1.00 0.00 C ATOM 1220 C SER A 97 -5.215 12.913 -4.969 1.00 0.00 C ATOM 1221 O SER A 97 -6.316 13.151 -5.468 1.00 0.00 O ATOM 1222 CB SER A 97 -3.904 15.039 -5.153 1.00 0.00 C ATOM 1223 OG SER A 97 -4.825 15.320 -6.195 1.00 0.00 O ATOM 0 H SER A 97 -2.530 13.233 -3.890 1.00 0.00 H new ATOM 0 HA SER A 97 -5.175 14.465 -3.512 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.677 15.955 -4.607 1.00 0.00 H new ATOM 0 HB3 SER A 97 -2.966 14.681 -5.579 1.00 0.00 H new ATOM 0 HG SER A 97 -4.443 15.993 -6.796 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.622 11.732 -5.069 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.240 10.623 -5.787 1.00 0.00 C ATOM 1231 C ARG A 98 -5.029 9.310 -5.045 1.00 0.00 C ATOM 1232 O ARG A 98 -3.977 9.088 -4.445 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.676 10.518 -7.201 1.00 0.00 C ATOM 1234 CG ARG A 98 -5.719 10.127 -8.233 1.00 0.00 C ATOM 1235 CD ARG A 98 -5.425 10.744 -9.589 1.00 0.00 C ATOM 1236 NE ARG A 98 -5.073 12.158 -9.489 1.00 0.00 N ATOM 1237 CZ ARG A 98 -4.393 12.822 -10.423 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -4.000 12.206 -11.531 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -4.110 14.105 -10.250 1.00 0.00 N ATOM 0 H ARG A 98 -3.712 11.515 -4.662 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.311 10.819 -5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.237 11.475 -7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.871 9.783 -7.211 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.750 9.041 -8.326 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.704 10.446 -7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -4.608 10.201 -10.063 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.297 10.634 -10.233 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.365 12.667 -8.655 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -4.218 11.219 -11.671 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -3.480 12.719 -12.243 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.413 14.584 -9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.589 14.613 -10.965 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.033 8.439 -5.090 1.00 0.00 N ATOM 1254 CA VAL A 99 -5.947 7.148 -4.420 1.00 0.00 C ATOM 1255 C VAL A 99 -6.205 6.006 -5.396 1.00 0.00 C ATOM 1256 O VAL A 99 -7.347 5.747 -5.778 1.00 0.00 O ATOM 1257 CB VAL A 99 -6.953 7.042 -3.255 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.518 5.962 -2.274 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -7.113 8.382 -2.547 1.00 0.00 C ATOM 0 H VAL A 99 -6.911 8.604 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.935 7.070 -4.023 1.00 0.00 H new ATOM 0 HB VAL A 99 -7.923 6.764 -3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.238 5.900 -1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.468 5.002 -2.788 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.535 6.210 -1.872 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.827 8.279 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.150 8.700 -2.148 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.476 9.127 -3.255 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.138 5.320 -5.792 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.246 4.203 -6.714 1.00 0.00 C ATOM 1271 C LYS A 100 -5.304 2.889 -5.945 1.00 0.00 C ATOM 1272 O LYS A 100 -4.274 2.354 -5.537 1.00 0.00 O ATOM 1273 CB LYS A 100 -4.048 4.189 -7.661 1.00 0.00 C ATOM 1274 CG LYS A 100 -4.168 3.161 -8.768 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.901 3.770 -10.137 1.00 0.00 C ATOM 1276 CE LYS A 100 -5.183 3.915 -10.944 1.00 0.00 C ATOM 1277 NZ LYS A 100 -5.326 2.834 -11.958 1.00 0.00 N ATOM 0 H LYS A 100 -4.186 5.522 -5.485 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.162 4.317 -7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.933 5.178 -8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.143 3.990 -7.087 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.463 2.349 -8.588 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.167 2.725 -8.753 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.434 4.747 -10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.195 3.144 -10.683 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.040 3.897 -10.271 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.190 4.884 -11.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.331 2.711 -12.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.797 3.091 -12.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.949 1.945 -11.573 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.510 2.379 -5.739 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.696 1.134 -5.007 1.00 0.00 C ATOM 1293 C LEU A 101 -7.140 0.015 -5.938 1.00 0.00 C ATOM 1294 O LEU A 101 -7.740 0.262 -6.980 1.00 0.00 O ATOM 1295 CB LEU A 101 -7.730 1.305 -3.885 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.009 2.749 -3.446 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.500 3.047 -3.508 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.474 2.991 -2.043 1.00 0.00 C ATOM 0 H LEU A 101 -7.375 2.808 -6.069 1.00 0.00 H new ATOM 0 HA LEU A 101 -5.735 0.869 -4.567 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.669 0.857 -4.211 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.392 0.740 -3.016 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.495 3.423 -4.131 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.679 4.075 -3.193 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.856 2.913 -4.530 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.035 2.366 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.680 4.020 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -7.960 2.309 -1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.398 2.818 -2.029 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.853 -1.217 -5.546 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.240 -2.382 -6.330 1.00 0.00 C ATOM 1312 C ASN A 102 -8.173 -3.259 -5.507 1.00 0.00 C ATOM 1313 O ASN A 102 -7.724 -4.039 -4.668 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.006 -3.176 -6.765 1.00 0.00 C ATOM 1315 CG ASN A 102 -5.661 -2.949 -8.224 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -4.508 -2.691 -8.568 1.00 0.00 O ATOM 1317 ND2 ASN A 102 -6.663 -3.043 -9.090 1.00 0.00 N ATOM 0 H ASN A 102 -6.351 -1.437 -4.686 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.759 -2.048 -7.229 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.156 -2.892 -6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.182 -4.238 -6.597 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -6.492 -2.899 -10.085 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -7.604 -3.259 -8.760 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.474 -3.109 -5.728 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.458 -3.877 -4.974 1.00 0.00 C ATOM 1326 C ILE A 103 -11.300 -4.766 -5.887 1.00 0.00 C ATOM 1327 O ILE A 103 -11.236 -4.660 -7.110 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.374 -2.947 -4.133 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.632 -2.529 -4.902 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.607 -1.708 -3.690 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.723 -2.011 -3.998 1.00 0.00 C ATOM 0 H ILE A 103 -9.870 -2.469 -6.417 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.904 -4.523 -4.293 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.691 -3.514 -3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.370 -1.758 -5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.008 -3.382 -5.466 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.262 -1.066 -3.102 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.752 -2.007 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.257 -1.164 -4.567 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.589 -1.730 -4.597 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -14.009 -2.789 -3.290 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.361 -1.139 -3.453 1.00 0.00 H new ATOM 1343 N VAL A 104 -12.094 -5.640 -5.273 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.955 -6.548 -6.017 1.00 0.00 C ATOM 1345 C VAL A 104 -14.421 -6.345 -5.631 1.00 0.00 C ATOM 1346 O VAL A 104 -14.756 -6.274 -4.448 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.549 -8.021 -5.786 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.081 -8.541 -4.458 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -13.023 -8.893 -6.938 1.00 0.00 C ATOM 0 H VAL A 104 -12.157 -5.737 -4.260 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.834 -6.320 -7.076 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.461 -8.066 -5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.778 -9.580 -4.326 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.678 -7.939 -3.644 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.169 -8.477 -4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.728 -9.927 -6.757 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.109 -8.834 -7.016 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.573 -8.544 -7.867 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.287 -6.246 -6.632 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.711 -6.047 -6.387 1.00 0.00 C ATOM 1361 C ARG A 105 -17.391 -7.364 -6.023 1.00 0.00 C ATOM 1362 O ARG A 105 -17.048 -8.419 -6.556 1.00 0.00 O ATOM 1363 CB ARG A 105 -17.379 -5.432 -7.620 1.00 0.00 C ATOM 1364 CG ARG A 105 -17.855 -4.003 -7.402 1.00 0.00 C ATOM 1365 CD ARG A 105 -19.355 -3.866 -7.614 1.00 0.00 C ATOM 1366 NE ARG A 105 -20.025 -3.308 -6.441 1.00 0.00 N ATOM 1367 CZ ARG A 105 -21.234 -2.751 -6.473 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -21.908 -2.677 -7.614 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -21.769 -2.269 -5.360 1.00 0.00 N ATOM 0 H ARG A 105 -15.030 -6.300 -7.618 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.819 -5.363 -5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.675 -5.449 -8.452 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -18.229 -6.050 -7.909 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -17.601 -3.686 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.329 -3.337 -8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -19.542 -3.227 -8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -19.780 -4.843 -7.843 1.00 0.00 H new ATOM 0 HE ARG A 105 -19.538 -3.348 -5.546 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -21.500 -3.048 -8.472 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -22.834 -2.249 -7.633 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -21.255 -2.325 -4.481 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -22.695 -1.842 -5.383 1.00 0.00 H new ATOM 1384 N PRO B -3 -17.404 2.826 13.708 1.00 0.00 N ATOM 1385 CA PRO B -3 -16.170 2.099 13.397 1.00 0.00 C ATOM 1386 C PRO B -3 -15.016 3.034 13.054 1.00 0.00 C ATOM 1387 O PRO B -3 -15.160 4.256 13.096 1.00 0.00 O ATOM 1388 CB PRO B -3 -16.560 1.264 12.179 1.00 0.00 C ATOM 1389 CG PRO B -3 -17.611 2.068 11.496 1.00 0.00 C ATOM 1390 CD PRO B -3 -18.365 2.786 12.586 1.00 0.00 C ATOM 0 H2 PRO B -3 -17.180 3.796 13.929 1.00 0.00 H new ATOM 0 H3 PRO B -3 -17.836 2.423 14.539 1.00 0.00 H new ATOM 0 HA PRO B -3 -15.815 1.511 14.243 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -15.705 1.092 11.526 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -16.938 0.285 12.474 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -17.166 2.777 10.798 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -18.277 1.427 10.918 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.660 3.788 12.276 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -19.277 2.255 12.859 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.870 2.452 12.714 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.690 3.233 12.362 1.00 0.00 C ATOM 1400 C VAL B -2 -12.746 3.685 10.907 1.00 0.00 C ATOM 1401 O VAL B -2 -12.796 2.862 9.993 1.00 0.00 O ATOM 1402 CB VAL B -2 -11.394 2.430 12.588 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -10.174 3.321 12.408 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -11.398 1.792 13.969 1.00 0.00 C ATOM 0 H VAL B -2 -13.734 1.442 12.675 1.00 0.00 H new ATOM 0 HA VAL B -2 -12.684 4.107 13.013 1.00 0.00 H new ATOM 0 HB VAL B -2 -11.346 1.635 11.844 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.269 2.736 12.572 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -10.166 3.727 11.396 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -10.212 4.139 13.127 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -10.476 1.229 14.112 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -11.470 2.570 14.729 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -12.251 1.119 14.057 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.742 4.998 10.700 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.800 5.561 9.355 1.00 0.00 C ATOM 1416 C TYR B -1 -11.415 5.992 8.877 1.00 0.00 C ATOM 1417 O TYR B -1 -10.684 6.674 9.596 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.756 6.756 9.327 1.00 0.00 C ATOM 1419 CG TYR B -1 -15.134 6.420 8.803 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.324 6.060 7.475 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -16.246 6.466 9.637 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -16.582 5.756 6.993 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.507 6.161 9.161 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.669 5.807 7.838 1.00 0.00 C ATOM 1425 OH TYR B -1 -18.924 5.504 7.360 1.00 0.00 O ATOM 0 H TYR B -1 -12.699 5.692 11.446 1.00 0.00 H new ATOM 0 HA TYR B -1 -13.168 4.788 8.681 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.849 7.159 10.335 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.323 7.542 8.708 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -14.475 6.017 6.809 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -16.122 6.745 10.673 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -16.713 5.479 5.957 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -18.361 6.200 9.821 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.263 4.705 7.815 1.00 0.00 H new ATOM 1435 N ILE B 0 -11.067 5.597 7.657 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.777 5.951 7.077 1.00 0.00 C ATOM 1437 C ILE B 0 -9.947 6.931 5.926 1.00 0.00 C ATOM 1438 O ILE B 0 -11.104 7.312 5.642 1.00 0.00 O ATOM 1439 CB ILE B 0 -9.006 4.707 6.582 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.803 3.936 5.523 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.671 3.800 7.755 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -10.104 4.727 4.266 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.925 7.300 5.311 1.00 0.00 O ATOM 0 H ILE B 0 -11.661 5.031 7.051 1.00 0.00 H new ATOM 0 HA ILE B 0 -9.196 6.422 7.870 1.00 0.00 H new ATOM 0 HB ILE B 0 -8.081 5.048 6.117 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.247 3.040 5.249 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.744 3.605 5.963 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -8.128 2.926 7.396 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -8.053 4.343 8.470 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.592 3.480 8.242 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.670 4.106 3.572 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.689 5.610 4.523 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.169 5.035 3.797 1.00 0.00 H new