USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 706 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 76 SER OG : rot 77:sc= 0.323 USER MOD Set 1.2: A 83 CYS SG : rot 180:sc= 0.00471 USER MOD Set 2.1: A 55 LYS NZ :NH3+ 175:sc= 0 (180deg=0) USER MOD Set 2.2: A 56 ASN : amide:sc= -0.626 K(o=-5.2,f=-8.5!) USER MOD Set 2.3: A 100 GLN : amide:sc= -4.59! C(o=-5.2!,f=-9.7!) USER MOD Set 3.1: A 43 SER OG : rot -20:sc= 0.255 USER MOD Set 3.2: A 46 MET CE :methyl -138:sc= -2.69 (180deg=-5.15!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.49! K(o=-2.5!,f=-1.2) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.555 K(o=-0.56,f=-4.1!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0.0743 X(o=0.074,f=-0.086) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -6.86! C(o=-6.9!,f=-8.6!) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.13) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot -77:sc= 1.19 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.937 X(o=-0.94,f=-0.73) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= -0.287 USER MOD Single : A 73 TYR OH : rot 165:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.595 K(o=-0.59,f=-3.2!) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.47 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -1.27 K(o=-1.3,f=-5!) USER MOD Single : A 94 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.123 X(o=-0.12,f=-0.3) USER MOD Single : A 107 ASN : amide:sc=-0.00479 X(o=-0.0048,f=-0.38) USER MOD Single : A 110 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -6.974 -14.854 -7.535 1.00 0.00 N ATOM 16 CA SER A 27 -7.965 -13.869 -7.120 1.00 0.00 C ATOM 17 C SER A 27 -7.343 -12.478 -7.034 1.00 0.00 C ATOM 18 O SER A 27 -6.472 -12.228 -6.203 1.00 0.00 O ATOM 19 CB SER A 27 -8.566 -14.256 -5.768 1.00 0.00 C ATOM 20 OG SER A 27 -9.949 -13.949 -5.716 1.00 0.00 O ATOM 0 HA SER A 27 -8.757 -13.849 -7.868 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.421 -15.322 -5.594 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.043 -13.729 -4.970 1.00 0.00 H new ATOM 0 HG SER A 27 -10.309 -14.208 -4.842 1.00 0.00 H new ATOM 25 N LYS A 28 -7.795 -11.578 -7.900 1.00 0.00 N ATOM 26 CA LYS A 28 -7.278 -10.214 -7.920 1.00 0.00 C ATOM 27 C LYS A 28 -8.206 -9.267 -7.165 1.00 0.00 C ATOM 28 O LYS A 28 -9.428 -9.362 -7.274 1.00 0.00 O ATOM 29 CB LYS A 28 -7.103 -9.736 -9.365 1.00 0.00 C ATOM 30 CG LYS A 28 -5.727 -9.156 -9.650 1.00 0.00 C ATOM 31 CD LYS A 28 -5.090 -9.799 -10.872 1.00 0.00 C ATOM 32 CE LYS A 28 -5.742 -9.316 -12.158 1.00 0.00 C ATOM 33 NZ LYS A 28 -5.000 -8.178 -12.758 1.00 0.00 N ATOM 0 H LYS A 28 -8.516 -11.767 -8.596 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.308 -10.211 -7.423 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -7.283 -10.573 -10.040 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.859 -8.982 -9.584 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.810 -8.080 -9.806 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.083 -9.304 -8.783 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.025 -9.567 -10.893 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.179 -10.883 -10.802 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.788 -10.137 -12.873 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.769 -9.013 -11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.475 -7.877 -13.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.978 -7.385 -12.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -4.027 -8.474 -12.976 1.00 0.00 H new ATOM 47 N GLN A 29 -7.617 -8.350 -6.403 1.00 0.00 N ATOM 48 CA GLN A 29 -8.397 -7.385 -5.635 1.00 0.00 C ATOM 49 C GLN A 29 -7.779 -5.997 -5.719 1.00 0.00 C ATOM 50 O GLN A 29 -6.559 -5.842 -5.670 1.00 0.00 O ATOM 51 CB GLN A 29 -8.511 -7.825 -4.174 1.00 0.00 C ATOM 52 CG GLN A 29 -9.240 -9.148 -3.994 1.00 0.00 C ATOM 53 CD GLN A 29 -10.532 -9.002 -3.215 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.388 -8.185 -3.556 1.00 0.00 O ATOM 55 NE2 GLN A 29 -10.680 -9.796 -2.161 1.00 0.00 N ATOM 0 H GLN A 29 -6.607 -8.255 -6.301 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.397 -7.343 -6.066 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.511 -7.910 -3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -9.033 -7.052 -3.610 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -9.457 -9.575 -4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -8.586 -9.851 -3.478 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -9.945 -10.459 -1.915 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.529 -9.743 -1.598 1.00 0.00 H new ATOM 64 N GLU A 30 -8.632 -4.989 -5.859 1.00 0.00 N ATOM 65 CA GLU A 30 -8.175 -3.612 -5.964 1.00 0.00 C ATOM 66 C GLU A 30 -9.016 -2.680 -5.096 1.00 0.00 C ATOM 67 O GLU A 30 -10.242 -2.791 -5.055 1.00 0.00 O ATOM 68 CB GLU A 30 -8.212 -3.166 -7.427 1.00 0.00 C ATOM 69 CG GLU A 30 -9.605 -2.814 -7.931 1.00 0.00 C ATOM 70 CD GLU A 30 -10.540 -4.007 -7.942 1.00 0.00 C ATOM 71 OE1 GLU A 30 -10.091 -5.109 -8.320 1.00 0.00 O ATOM 72 OE2 GLU A 30 -11.718 -3.842 -7.569 1.00 0.00 O ATOM 0 H GLU A 30 -9.645 -5.102 -5.902 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.149 -3.561 -5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.563 -2.299 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.802 -3.961 -8.049 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.028 -2.031 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.530 -2.406 -8.939 1.00 0.00 H new ATOM 79 N LEU A 31 -8.349 -1.763 -4.405 1.00 0.00 N ATOM 80 CA LEU A 31 -9.029 -0.807 -3.540 1.00 0.00 C ATOM 81 C LEU A 31 -8.915 0.606 -4.099 1.00 0.00 C ATOM 82 O LEU A 31 -7.931 0.947 -4.754 1.00 0.00 O ATOM 83 CB LEU A 31 -8.444 -0.858 -2.127 1.00 0.00 C ATOM 84 CG LEU A 31 -8.761 -2.133 -1.342 1.00 0.00 C ATOM 85 CD1 LEU A 31 -7.558 -3.065 -1.328 1.00 0.00 C ATOM 86 CD2 LEU A 31 -9.190 -1.796 0.078 1.00 0.00 C ATOM 0 H LEU A 31 -7.334 -1.661 -4.427 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.084 -1.079 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.361 -0.750 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.816 -0.001 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 31 -9.587 -2.643 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.802 -3.966 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.296 -3.336 -2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.713 -2.562 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.411 -2.716 0.619 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.386 -1.261 0.584 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.081 -1.169 0.050 1.00 0.00 H new ATOM 98 N ILE A 32 -9.929 1.422 -3.842 1.00 0.00 N ATOM 99 CA ILE A 32 -9.946 2.800 -4.325 1.00 0.00 C ATOM 100 C ILE A 32 -9.209 3.729 -3.365 1.00 0.00 C ATOM 101 O ILE A 32 -9.484 3.742 -2.165 1.00 0.00 O ATOM 102 CB ILE A 32 -11.382 3.308 -4.517 1.00 0.00 C ATOM 103 CG1 ILE A 32 -12.206 2.291 -5.307 1.00 0.00 C ATOM 104 CG2 ILE A 32 -11.379 4.660 -5.222 1.00 0.00 C ATOM 105 CD1 ILE A 32 -11.619 1.958 -6.662 1.00 0.00 C ATOM 0 H ILE A 32 -10.752 1.155 -3.302 1.00 0.00 H new ATOM 0 HA ILE A 32 -9.437 2.804 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 32 -11.840 3.434 -3.536 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.294 1.375 -4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -13.215 2.680 -5.443 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.405 5.006 -5.350 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.825 5.382 -4.622 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -10.905 4.560 -6.198 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.256 1.231 -7.166 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -11.557 2.864 -7.264 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -10.621 1.539 -6.533 1.00 0.00 H new ATOM 117 N LEU A 33 -8.279 4.510 -3.903 1.00 0.00 N ATOM 118 CA LEU A 33 -7.506 5.447 -3.097 1.00 0.00 C ATOM 119 C LEU A 33 -7.534 6.842 -3.718 1.00 0.00 C ATOM 120 O LEU A 33 -7.687 6.989 -4.931 1.00 0.00 O ATOM 121 CB LEU A 33 -6.063 4.965 -2.953 1.00 0.00 C ATOM 122 CG LEU A 33 -5.908 3.481 -2.629 1.00 0.00 C ATOM 123 CD1 LEU A 33 -4.620 2.938 -3.225 1.00 0.00 C ATOM 124 CD2 LEU A 33 -5.936 3.260 -1.125 1.00 0.00 C ATOM 0 H LEU A 33 -8.042 4.513 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.959 5.498 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.531 5.177 -3.880 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.578 5.545 -2.168 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.745 2.941 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.526 1.879 -2.984 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.639 3.064 -4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.770 3.481 -2.811 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.824 2.197 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.118 3.811 -0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.886 3.613 -0.723 1.00 0.00 H new ATOM 136 N VAL A 34 -7.390 7.866 -2.881 1.00 0.00 N ATOM 137 CA VAL A 34 -7.398 9.239 -3.354 1.00 0.00 C ATOM 138 C VAL A 34 -6.512 10.129 -2.499 1.00 0.00 C ATOM 139 O VAL A 34 -6.741 10.295 -1.301 1.00 0.00 O ATOM 140 CB VAL A 34 -8.828 9.821 -3.370 1.00 0.00 C ATOM 141 CG1 VAL A 34 -8.849 11.160 -4.083 1.00 0.00 C ATOM 142 CG2 VAL A 34 -9.795 8.842 -4.019 1.00 0.00 C ATOM 0 H VAL A 34 -7.267 7.767 -1.873 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.007 9.219 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.149 9.981 -2.341 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.865 11.555 -4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.189 11.857 -3.567 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.508 11.031 -5.110 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -10.798 9.269 -4.022 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.481 8.646 -5.044 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.800 7.908 -3.457 1.00 0.00 H new ATOM 152 N LEU A 35 -5.492 10.691 -3.130 1.00 0.00 N ATOM 153 CA LEU A 35 -4.556 11.569 -2.452 1.00 0.00 C ATOM 154 C LEU A 35 -4.752 13.014 -2.895 1.00 0.00 C ATOM 155 O LEU A 35 -5.484 13.290 -3.847 1.00 0.00 O ATOM 156 CB LEU A 35 -3.127 11.112 -2.754 1.00 0.00 C ATOM 157 CG LEU A 35 -2.208 11.004 -1.534 1.00 0.00 C ATOM 158 CD1 LEU A 35 -2.012 9.548 -1.140 1.00 0.00 C ATOM 159 CD2 LEU A 35 -0.871 11.667 -1.815 1.00 0.00 C ATOM 0 H LEU A 35 -5.292 10.551 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.736 11.519 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.169 10.140 -3.245 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.682 11.809 -3.464 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.680 11.523 -0.700 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.356 9.491 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.977 9.104 -0.896 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.562 9.004 -1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.231 11.581 -0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.393 11.177 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.029 12.720 -2.047 1.00 0.00 H new ATOM 171 N LYS A 36 -4.093 13.938 -2.199 1.00 0.00 N ATOM 172 CA LYS A 36 -4.202 15.352 -2.526 1.00 0.00 C ATOM 173 C LYS A 36 -3.311 16.186 -1.610 1.00 0.00 C ATOM 174 O LYS A 36 -3.564 16.296 -0.410 1.00 0.00 O ATOM 175 CB LYS A 36 -5.653 15.818 -2.415 1.00 0.00 C ATOM 176 CG LYS A 36 -6.117 16.660 -3.596 1.00 0.00 C ATOM 177 CD LYS A 36 -6.881 15.824 -4.612 1.00 0.00 C ATOM 178 CE LYS A 36 -8.203 16.477 -4.977 1.00 0.00 C ATOM 179 NZ LYS A 36 -8.079 17.372 -6.157 1.00 0.00 N ATOM 0 H LYS A 36 -3.481 13.731 -1.409 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.869 15.490 -3.555 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.300 14.945 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.770 16.397 -1.499 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.752 17.470 -3.239 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.254 17.120 -4.077 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.276 15.695 -5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.064 14.829 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.943 15.704 -5.185 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.571 17.050 -4.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.005 17.796 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.393 18.125 -5.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.753 16.822 -6.977 1.00 0.00 H new ATOM 193 N GLY A 37 -2.262 16.777 -2.183 1.00 0.00 N ATOM 194 CA GLY A 37 -1.349 17.590 -1.405 1.00 0.00 C ATOM 195 C GLY A 37 -0.565 18.563 -2.264 1.00 0.00 C ATOM 196 O GLY A 37 -0.818 18.680 -3.463 1.00 0.00 O ATOM 0 H GLY A 37 -2.031 16.705 -3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.911 18.145 -0.653 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.655 16.941 -0.870 1.00 0.00 H new ATOM 200 N GLU A 38 0.388 19.252 -1.651 1.00 0.00 N ATOM 201 CA GLU A 38 1.216 20.214 -2.366 1.00 0.00 C ATOM 202 C GLU A 38 2.599 20.316 -1.734 1.00 0.00 C ATOM 203 O GLU A 38 2.927 21.317 -1.100 1.00 0.00 O ATOM 204 CB GLU A 38 0.539 21.587 -2.378 1.00 0.00 C ATOM 205 CG GLU A 38 -0.495 21.747 -3.474 1.00 0.00 C ATOM 206 CD GLU A 38 0.094 21.601 -4.864 1.00 0.00 C ATOM 207 OE1 GLU A 38 1.321 21.762 -5.006 1.00 0.00 O ATOM 208 OE2 GLU A 38 -0.675 21.322 -5.810 1.00 0.00 O ATOM 0 H GLU A 38 0.607 19.163 -0.659 1.00 0.00 H new ATOM 0 HA GLU A 38 1.334 19.867 -3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.061 21.755 -1.413 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.301 22.357 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.280 21.004 -3.337 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.964 22.727 -3.384 1.00 0.00 H new ATOM 215 N LEU A 39 3.405 19.278 -1.911 1.00 0.00 N ATOM 216 CA LEU A 39 4.756 19.241 -1.359 1.00 0.00 C ATOM 217 C LEU A 39 5.796 19.163 -2.472 1.00 0.00 C ATOM 218 O LEU A 39 5.483 19.339 -3.647 1.00 0.00 O ATOM 219 CB LEU A 39 4.911 18.068 -0.399 1.00 0.00 C ATOM 220 CG LEU A 39 5.367 18.434 1.013 1.00 0.00 C ATOM 221 CD1 LEU A 39 4.515 17.738 2.060 1.00 0.00 C ATOM 222 CD2 LEU A 39 6.837 18.081 1.207 1.00 0.00 C ATOM 0 H LEU A 39 3.146 18.443 -2.437 1.00 0.00 H new ATOM 0 HA LEU A 39 4.921 20.165 -0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.956 17.547 -0.331 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.628 17.365 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 39 5.245 19.510 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.862 18.017 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.474 18.039 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.597 16.658 1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.145 18.348 2.218 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.977 17.011 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.442 18.631 0.486 1.00 0.00 H new ATOM 283 N SER A 43 7.411 11.092 -0.342 1.00 0.00 N ATOM 284 CA SER A 43 6.184 10.509 -0.864 1.00 0.00 C ATOM 285 C SER A 43 5.556 9.557 0.155 1.00 0.00 C ATOM 286 O SER A 43 5.947 8.394 0.259 1.00 0.00 O ATOM 287 CB SER A 43 6.461 9.755 -2.170 1.00 0.00 C ATOM 288 OG SER A 43 7.634 8.967 -2.063 1.00 0.00 O ATOM 0 HA SER A 43 5.485 11.322 -1.061 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.611 9.117 -2.413 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.570 10.466 -2.989 1.00 0.00 H new ATOM 0 HG SER A 43 8.185 9.299 -1.323 1.00 0.00 H new ATOM 294 N LYS A 44 4.590 10.067 0.911 1.00 0.00 N ATOM 295 CA LYS A 44 3.919 9.275 1.931 1.00 0.00 C ATOM 296 C LYS A 44 2.990 8.242 1.299 1.00 0.00 C ATOM 297 O LYS A 44 2.714 7.200 1.891 1.00 0.00 O ATOM 298 CB LYS A 44 3.124 10.180 2.872 1.00 0.00 C ATOM 299 CG LYS A 44 4.000 11.123 3.688 1.00 0.00 C ATOM 300 CD LYS A 44 3.727 10.990 5.180 1.00 0.00 C ATOM 301 CE LYS A 44 5.009 11.049 5.988 1.00 0.00 C ATOM 302 NZ LYS A 44 4.838 11.833 7.242 1.00 0.00 N ATOM 0 H LYS A 44 4.255 11.027 0.835 1.00 0.00 H new ATOM 0 HA LYS A 44 4.683 8.749 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.417 10.768 2.287 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.539 9.561 3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.050 10.909 3.489 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.819 12.151 3.375 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.057 11.788 5.501 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.216 10.047 5.375 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.331 10.037 6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.799 11.497 5.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.736 11.850 7.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.556 12.806 7.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.102 11.391 7.830 1.00 0.00 H new ATOM 316 N ASN A 45 2.506 8.536 0.095 1.00 0.00 N ATOM 317 CA ASN A 45 1.602 7.626 -0.610 1.00 0.00 C ATOM 318 C ASN A 45 2.249 6.259 -0.813 1.00 0.00 C ATOM 319 O ASN A 45 1.769 5.255 -0.290 1.00 0.00 O ATOM 320 CB ASN A 45 1.182 8.218 -1.961 1.00 0.00 C ATOM 321 CG ASN A 45 2.316 8.925 -2.677 1.00 0.00 C ATOM 322 OD1 ASN A 45 3.113 8.304 -3.379 1.00 0.00 O ATOM 323 ND2 ASN A 45 2.401 10.242 -2.498 1.00 0.00 N ATOM 0 H ASN A 45 2.723 9.394 -0.413 1.00 0.00 H new ATOM 0 HA ASN A 45 0.713 7.496 0.007 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.799 7.420 -2.598 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.364 8.921 -1.805 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.146 10.771 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 45 1.721 10.721 -1.908 1.00 0.00 H new ATOM 330 N MET A 46 3.341 6.225 -1.572 1.00 0.00 N ATOM 331 CA MET A 46 4.044 4.976 -1.838 1.00 0.00 C ATOM 332 C MET A 46 4.604 4.388 -0.547 1.00 0.00 C ATOM 333 O MET A 46 4.690 3.166 -0.397 1.00 0.00 O ATOM 334 CB MET A 46 5.173 5.199 -2.845 1.00 0.00 C ATOM 335 CG MET A 46 6.281 6.107 -2.329 1.00 0.00 C ATOM 336 SD MET A 46 7.802 5.210 -1.959 1.00 0.00 S ATOM 337 CE MET A 46 8.260 5.952 -0.394 1.00 0.00 C ATOM 0 H MET A 46 3.756 7.046 -2.012 1.00 0.00 H new ATOM 0 HA MET A 46 3.330 4.270 -2.262 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.602 4.234 -3.116 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.756 5.630 -3.755 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.490 6.877 -3.072 1.00 0.00 H new ATOM 0 HG3 MET A 46 5.937 6.617 -1.429 1.00 0.00 H new ATOM 0 HE1 MET A 46 9.335 6.134 -0.378 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.730 6.896 -0.270 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.995 5.277 0.420 1.00 0.00 H new ATOM 347 N LYS A 47 4.969 5.257 0.383 1.00 0.00 N ATOM 348 CA LYS A 47 5.511 4.823 1.665 1.00 0.00 C ATOM 349 C LYS A 47 4.405 4.235 2.544 1.00 0.00 C ATOM 350 O LYS A 47 4.665 3.404 3.413 1.00 0.00 O ATOM 351 CB LYS A 47 6.190 5.995 2.382 1.00 0.00 C ATOM 352 CG LYS A 47 7.165 5.564 3.465 1.00 0.00 C ATOM 353 CD LYS A 47 8.585 5.489 2.935 1.00 0.00 C ATOM 354 CE LYS A 47 9.604 5.721 4.043 1.00 0.00 C ATOM 355 NZ LYS A 47 9.948 4.454 4.749 1.00 0.00 N ATOM 0 H LYS A 47 4.900 6.269 0.275 1.00 0.00 H new ATOM 0 HA LYS A 47 6.255 4.048 1.479 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.721 6.601 1.648 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.424 6.631 2.826 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.122 6.268 4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.869 4.591 3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 47 8.755 4.513 2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.722 6.233 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.508 6.159 3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.206 6.440 4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.644 4.651 5.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.089 4.049 5.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.351 3.777 4.070 1.00 0.00 H new ATOM 369 N ASN A 48 3.178 4.685 2.310 1.00 0.00 N ATOM 370 CA ASN A 48 2.035 4.210 3.079 1.00 0.00 C ATOM 371 C ASN A 48 1.663 2.785 2.681 1.00 0.00 C ATOM 372 O ASN A 48 1.305 1.969 3.530 1.00 0.00 O ATOM 373 CB ASN A 48 0.838 5.141 2.877 1.00 0.00 C ATOM 374 CG ASN A 48 0.634 6.082 4.042 1.00 0.00 C ATOM 375 OD1 ASN A 48 0.383 5.654 5.168 1.00 0.00 O ATOM 376 ND2 ASN A 48 0.747 7.379 3.777 1.00 0.00 N ATOM 0 H ASN A 48 2.950 5.376 1.596 1.00 0.00 H new ATOM 0 HA ASN A 48 2.312 4.209 4.133 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.983 5.722 1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.063 4.544 2.734 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.625 8.064 4.522 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.956 7.689 2.828 1.00 0.00 H new ATOM 383 N VAL A 49 1.745 2.491 1.386 1.00 0.00 N ATOM 384 CA VAL A 49 1.411 1.161 0.889 1.00 0.00 C ATOM 385 C VAL A 49 2.517 0.161 1.202 1.00 0.00 C ATOM 386 O VAL A 49 2.247 -0.957 1.636 1.00 0.00 O ATOM 387 CB VAL A 49 1.158 1.160 -0.630 1.00 0.00 C ATOM 388 CG1 VAL A 49 0.425 -0.108 -1.041 1.00 0.00 C ATOM 389 CG2 VAL A 49 0.376 2.396 -1.050 1.00 0.00 C ATOM 0 H VAL A 49 2.038 3.152 0.666 1.00 0.00 H new ATOM 0 HA VAL A 49 0.494 0.866 1.399 1.00 0.00 H new ATOM 0 HB VAL A 49 2.121 1.184 -1.140 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.252 -0.096 -2.117 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.028 -0.978 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.531 -0.160 -0.521 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.210 2.373 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.584 2.411 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.942 3.290 -0.790 1.00 0.00 H new ATOM 399 N ILE A 50 3.762 0.567 0.979 1.00 0.00 N ATOM 400 CA ILE A 50 4.901 -0.303 1.242 1.00 0.00 C ATOM 401 C ILE A 50 4.945 -0.714 2.711 1.00 0.00 C ATOM 402 O ILE A 50 5.356 -1.826 3.042 1.00 0.00 O ATOM 403 CB ILE A 50 6.232 0.377 0.864 1.00 0.00 C ATOM 404 CG1 ILE A 50 7.397 -0.606 1.011 1.00 0.00 C ATOM 405 CG2 ILE A 50 6.457 1.608 1.720 1.00 0.00 C ATOM 406 CD1 ILE A 50 8.276 -0.687 -0.217 1.00 0.00 C ATOM 0 H ILE A 50 4.007 1.489 0.618 1.00 0.00 H new ATOM 0 HA ILE A 50 4.773 -1.190 0.622 1.00 0.00 H new ATOM 0 HB ILE A 50 6.179 0.689 -0.179 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.006 -0.310 1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.000 -1.597 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.401 2.077 1.442 1.00 0.00 H new ATOM 0 HG22 ILE A 50 5.641 2.314 1.564 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.491 1.319 2.771 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.080 -1.402 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.680 -1.012 -1.070 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.702 0.295 -0.425 1.00 0.00 H new ATOM 418 N ASN A 51 4.514 0.190 3.586 1.00 0.00 N ATOM 419 CA ASN A 51 4.501 -0.079 5.019 1.00 0.00 C ATOM 420 C ASN A 51 3.378 -1.047 5.381 1.00 0.00 C ATOM 421 O ASN A 51 3.596 -2.029 6.090 1.00 0.00 O ATOM 422 CB ASN A 51 4.337 1.225 5.802 1.00 0.00 C ATOM 423 CG ASN A 51 4.801 1.101 7.239 1.00 0.00 C ATOM 424 OD1 ASN A 51 3.988 1.042 8.162 1.00 0.00 O ATOM 425 ND2 ASN A 51 6.108 1.054 7.435 1.00 0.00 N ATOM 0 H ASN A 51 4.169 1.115 3.327 1.00 0.00 H new ATOM 0 HA ASN A 51 5.453 -0.538 5.286 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.902 2.015 5.308 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.289 1.525 5.786 1.00 0.00 H new ATOM 0 HD21 ASN A 51 6.479 0.965 8.381 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.745 1.106 6.640 1.00 0.00 H new ATOM 432 N ASN A 52 2.175 -0.762 4.889 1.00 0.00 N ATOM 433 CA ASN A 52 1.019 -1.608 5.161 1.00 0.00 C ATOM 434 C ASN A 52 1.122 -2.928 4.407 1.00 0.00 C ATOM 435 O ASN A 52 0.956 -4.001 4.987 1.00 0.00 O ATOM 436 CB ASN A 52 -0.272 -0.884 4.771 1.00 0.00 C ATOM 437 CG ASN A 52 -0.500 0.372 5.589 1.00 0.00 C ATOM 438 OD1 ASN A 52 -0.611 1.470 5.043 1.00 0.00 O ATOM 439 ND2 ASN A 52 -0.571 0.217 6.905 1.00 0.00 N ATOM 0 H ASN A 52 1.977 0.047 4.301 1.00 0.00 H new ATOM 0 HA ASN A 52 1.000 -1.821 6.230 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.234 -0.624 3.713 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.118 -1.559 4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -0.723 1.027 7.506 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -0.474 -0.712 7.315 1.00 0.00 H new ATOM 446 N ALA A 53 1.401 -2.841 3.111 1.00 0.00 N ATOM 447 CA ALA A 53 1.531 -4.026 2.272 1.00 0.00 C ATOM 448 C ALA A 53 2.564 -4.991 2.846 1.00 0.00 C ATOM 449 O ALA A 53 2.453 -6.207 2.681 1.00 0.00 O ATOM 450 CB ALA A 53 1.909 -3.626 0.852 1.00 0.00 C ATOM 0 H ALA A 53 1.542 -1.959 2.618 1.00 0.00 H new ATOM 0 HA ALA A 53 0.568 -4.536 2.250 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.003 -4.520 0.235 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.135 -2.979 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.859 -3.092 0.865 1.00 0.00 H new ATOM 456 N LYS A 54 3.565 -4.442 3.528 1.00 0.00 N ATOM 457 CA LYS A 54 4.615 -5.254 4.132 1.00 0.00 C ATOM 458 C LYS A 54 4.150 -5.825 5.467 1.00 0.00 C ATOM 459 O LYS A 54 4.364 -7.002 5.758 1.00 0.00 O ATOM 460 CB LYS A 54 5.884 -4.423 4.334 1.00 0.00 C ATOM 461 CG LYS A 54 6.789 -4.389 3.113 1.00 0.00 C ATOM 462 CD LYS A 54 8.131 -3.751 3.433 1.00 0.00 C ATOM 463 CE LYS A 54 9.252 -4.371 2.615 1.00 0.00 C ATOM 464 NZ LYS A 54 9.004 -4.252 1.151 1.00 0.00 N ATOM 0 H LYS A 54 3.671 -3.438 3.676 1.00 0.00 H new ATOM 0 HA LYS A 54 4.838 -6.080 3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.603 -3.403 4.596 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.442 -4.827 5.179 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.945 -5.403 2.746 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.302 -3.832 2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.083 -2.680 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.347 -3.868 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.195 -3.884 2.864 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.356 -5.423 2.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 9.884 -4.448 0.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 8.274 -4.936 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.680 -3.288 0.931 1.00 0.00 H new ATOM 478 N LYS A 55 3.508 -4.986 6.272 1.00 0.00 N ATOM 479 CA LYS A 55 3.008 -5.409 7.575 1.00 0.00 C ATOM 480 C LYS A 55 2.017 -6.558 7.423 1.00 0.00 C ATOM 481 O LYS A 55 2.015 -7.499 8.216 1.00 0.00 O ATOM 482 CB LYS A 55 2.340 -4.235 8.295 1.00 0.00 C ATOM 483 CG LYS A 55 2.270 -4.409 9.805 1.00 0.00 C ATOM 484 CD LYS A 55 0.842 -4.301 10.317 1.00 0.00 C ATOM 485 CE LYS A 55 0.474 -2.862 10.638 1.00 0.00 C ATOM 486 NZ LYS A 55 -0.988 -2.701 10.870 1.00 0.00 N ATOM 0 H LYS A 55 3.321 -4.009 6.045 1.00 0.00 H new ATOM 0 HA LYS A 55 3.854 -5.754 8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.888 -3.321 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.330 -4.107 7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.683 -5.380 10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.888 -3.652 10.288 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.155 -4.695 9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.727 -4.915 11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.020 -2.537 11.523 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.785 -2.216 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.187 -1.725 11.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.504 -2.906 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.296 -3.360 11.613 1.00 0.00 H new ATOM 500 N ASN A 56 1.180 -6.475 6.393 1.00 0.00 N ATOM 501 CA ASN A 56 0.188 -7.510 6.131 1.00 0.00 C ATOM 502 C ASN A 56 0.863 -8.790 5.652 1.00 0.00 C ATOM 503 O ASN A 56 0.670 -9.860 6.232 1.00 0.00 O ATOM 504 CB ASN A 56 -0.819 -7.027 5.085 1.00 0.00 C ATOM 505 CG ASN A 56 -1.417 -5.680 5.439 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.673 -5.389 6.608 1.00 0.00 O ATOM 507 ND2 ASN A 56 -1.645 -4.849 4.429 1.00 0.00 N ATOM 0 H ASN A 56 1.170 -5.702 5.727 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.341 -7.721 7.060 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.327 -6.960 4.115 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -1.618 -7.762 4.987 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.047 -3.929 4.607 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.418 -5.131 3.475 1.00 0.00 H new ATOM 514 N LEU A 57 1.664 -8.672 4.595 1.00 0.00 N ATOM 515 CA LEU A 57 2.376 -9.818 4.038 1.00 0.00 C ATOM 516 C LEU A 57 3.082 -10.606 5.138 1.00 0.00 C ATOM 517 O LEU A 57 2.878 -11.813 5.283 1.00 0.00 O ATOM 518 CB LEU A 57 3.393 -9.349 2.992 1.00 0.00 C ATOM 519 CG LEU A 57 3.217 -9.952 1.599 1.00 0.00 C ATOM 520 CD1 LEU A 57 3.040 -11.455 1.694 1.00 0.00 C ATOM 521 CD2 LEU A 57 2.032 -9.314 0.890 1.00 0.00 C ATOM 0 H LEU A 57 1.836 -7.793 4.107 1.00 0.00 H new ATOM 0 HA LEU A 57 1.648 -10.473 3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.333 -8.264 2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.395 -9.587 3.350 1.00 0.00 H new ATOM 0 HG LEU A 57 4.114 -9.748 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.916 -11.871 0.694 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.919 -11.896 2.164 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.158 -11.680 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.920 -9.755 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.125 -9.488 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.200 -8.241 0.793 1.00 0.00 H new ATOM 533 N GLU A 58 3.908 -9.913 5.914 1.00 0.00 N ATOM 534 CA GLU A 58 4.638 -10.545 7.005 1.00 0.00 C ATOM 535 C GLU A 58 3.674 -11.130 8.029 1.00 0.00 C ATOM 536 O GLU A 58 3.985 -12.114 8.698 1.00 0.00 O ATOM 537 CB GLU A 58 5.570 -9.536 7.677 1.00 0.00 C ATOM 538 CG GLU A 58 6.748 -9.122 6.809 1.00 0.00 C ATOM 539 CD GLU A 58 8.041 -9.017 7.593 1.00 0.00 C ATOM 540 OE1 GLU A 58 8.193 -9.756 8.590 1.00 0.00 O ATOM 541 OE2 GLU A 58 8.903 -8.197 7.212 1.00 0.00 O ATOM 0 H GLU A 58 4.088 -8.915 5.807 1.00 0.00 H new ATOM 0 HA GLU A 58 5.237 -11.356 6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.997 -8.648 7.945 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.947 -9.965 8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 58 6.873 -9.846 6.004 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.531 -8.161 6.343 1.00 0.00 H new ATOM 548 N LYS A 59 2.498 -10.519 8.144 1.00 0.00 N ATOM 549 CA LYS A 59 1.484 -10.983 9.083 1.00 0.00 C ATOM 550 C LYS A 59 1.109 -12.433 8.796 1.00 0.00 C ATOM 551 O LYS A 59 0.857 -13.213 9.714 1.00 0.00 O ATOM 552 CB LYS A 59 0.240 -10.096 9.006 1.00 0.00 C ATOM 553 CG LYS A 59 -0.595 -10.106 10.276 1.00 0.00 C ATOM 554 CD LYS A 59 -2.010 -9.618 10.015 1.00 0.00 C ATOM 555 CE LYS A 59 -2.946 -9.986 11.155 1.00 0.00 C ATOM 556 NZ LYS A 59 -2.613 -9.251 12.405 1.00 0.00 N ATOM 0 H LYS A 59 2.225 -9.702 7.598 1.00 0.00 H new ATOM 0 HA LYS A 59 1.898 -10.923 10.089 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.547 -9.072 8.791 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.379 -10.425 8.172 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.627 -11.116 10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.123 -9.473 11.028 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.004 -8.536 9.883 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.380 -10.051 9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.974 -9.765 10.867 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.890 -11.059 11.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.274 -9.530 13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.641 -9.481 12.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.691 -8.228 12.237 1.00 0.00 H new ATOM 570 N TYR A 60 1.080 -12.787 7.514 1.00 0.00 N ATOM 571 CA TYR A 60 0.743 -14.147 7.106 1.00 0.00 C ATOM 572 C TYR A 60 1.937 -15.076 7.290 1.00 0.00 C ATOM 573 O TYR A 60 1.798 -16.195 7.784 1.00 0.00 O ATOM 574 CB TYR A 60 0.287 -14.168 5.646 1.00 0.00 C ATOM 575 CG TYR A 60 -0.803 -13.169 5.337 1.00 0.00 C ATOM 576 CD1 TYR A 60 -2.142 -13.493 5.520 1.00 0.00 C ATOM 577 CD2 TYR A 60 -0.495 -11.902 4.859 1.00 0.00 C ATOM 578 CE1 TYR A 60 -3.142 -12.582 5.236 1.00 0.00 C ATOM 579 CE2 TYR A 60 -1.489 -10.984 4.574 1.00 0.00 C ATOM 580 CZ TYR A 60 -2.810 -11.330 4.763 1.00 0.00 C ATOM 581 OH TYR A 60 -3.802 -10.420 4.480 1.00 0.00 O ATOM 0 H TYR A 60 1.285 -12.153 6.742 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.073 -14.499 7.737 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.144 -13.967 5.004 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -0.069 -15.169 5.400 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.406 -14.473 5.890 1.00 0.00 H new ATOM 0 HD2 TYR A 60 0.539 -11.629 4.707 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -4.178 -12.849 5.384 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.232 -10.002 4.206 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.227 -10.653 3.628 1.00 0.00 H new ATOM 591 N PHE A 61 3.113 -14.600 6.893 1.00 0.00 N ATOM 592 CA PHE A 61 4.337 -15.385 7.014 1.00 0.00 C ATOM 593 C PHE A 61 4.750 -15.528 8.477 1.00 0.00 C ATOM 594 O PHE A 61 5.489 -16.444 8.838 1.00 0.00 O ATOM 595 CB PHE A 61 5.464 -14.729 6.216 1.00 0.00 C ATOM 596 CG PHE A 61 6.518 -15.697 5.758 1.00 0.00 C ATOM 597 CD1 PHE A 61 6.283 -16.540 4.685 1.00 0.00 C ATOM 598 CD2 PHE A 61 7.744 -15.761 6.401 1.00 0.00 C ATOM 599 CE1 PHE A 61 7.251 -17.431 4.261 1.00 0.00 C ATOM 600 CE2 PHE A 61 8.716 -16.650 5.982 1.00 0.00 C ATOM 601 CZ PHE A 61 8.469 -17.486 4.910 1.00 0.00 C ATOM 0 H PHE A 61 3.244 -13.675 6.485 1.00 0.00 H new ATOM 0 HA PHE A 61 4.145 -16.380 6.612 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.039 -14.229 5.346 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.932 -13.959 6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.333 -16.501 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.942 -15.109 7.239 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.055 -18.084 3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 61 9.667 -16.691 6.492 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.227 -18.181 4.580 1.00 0.00 H new ATOM 611 N LYS A 62 4.272 -14.617 9.317 1.00 0.00 N ATOM 612 CA LYS A 62 4.592 -14.647 10.737 1.00 0.00 C ATOM 613 C LYS A 62 3.606 -15.522 11.504 1.00 0.00 C ATOM 614 O LYS A 62 3.910 -16.008 12.593 1.00 0.00 O ATOM 615 CB LYS A 62 4.586 -13.229 11.311 1.00 0.00 C ATOM 616 CG LYS A 62 5.303 -13.110 12.647 1.00 0.00 C ATOM 617 CD LYS A 62 5.371 -11.665 13.116 1.00 0.00 C ATOM 618 CE LYS A 62 6.712 -11.348 13.758 1.00 0.00 C ATOM 619 NZ LYS A 62 6.602 -11.217 15.237 1.00 0.00 N ATOM 0 H LYS A 62 3.662 -13.849 9.038 1.00 0.00 H new ATOM 0 HA LYS A 62 5.588 -15.075 10.848 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.055 -12.554 10.595 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.554 -12.899 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.785 -13.712 13.394 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.312 -13.512 12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.206 -10.999 12.269 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.571 -11.476 13.831 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.426 -12.135 13.515 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.105 -10.421 13.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.537 -11.001 15.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.940 -10.449 15.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.251 -12.110 15.639 1.00 0.00 H new ATOM 633 N GLU A 63 2.418 -15.707 10.935 1.00 0.00 N ATOM 634 CA GLU A 63 1.384 -16.510 11.577 1.00 0.00 C ATOM 635 C GLU A 63 1.351 -17.938 11.034 1.00 0.00 C ATOM 636 O GLU A 63 1.262 -18.895 11.803 1.00 0.00 O ATOM 637 CB GLU A 63 0.016 -15.851 11.391 1.00 0.00 C ATOM 638 CG GLU A 63 -0.555 -15.264 12.672 1.00 0.00 C ATOM 639 CD GLU A 63 0.167 -14.003 13.106 1.00 0.00 C ATOM 640 OE1 GLU A 63 1.411 -13.966 13.005 1.00 0.00 O ATOM 641 OE2 GLU A 63 -0.513 -13.052 13.545 1.00 0.00 O ATOM 0 H GLU A 63 2.149 -15.313 10.034 1.00 0.00 H new ATOM 0 HA GLU A 63 1.623 -16.564 12.639 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.101 -15.061 10.645 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.683 -16.588 10.996 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.612 -15.041 12.526 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.492 -16.007 13.467 1.00 0.00 H new ATOM 648 N HIS A 64 1.402 -18.081 9.712 1.00 0.00 N ATOM 649 CA HIS A 64 1.353 -19.408 9.098 1.00 0.00 C ATOM 650 C HIS A 64 2.599 -19.718 8.274 1.00 0.00 C ATOM 651 O HIS A 64 2.658 -20.742 7.594 1.00 0.00 O ATOM 652 CB HIS A 64 0.104 -19.538 8.222 1.00 0.00 C ATOM 653 CG HIS A 64 -0.942 -20.438 8.803 1.00 0.00 C ATOM 654 ND1 HIS A 64 -2.280 -20.343 8.480 1.00 0.00 N ATOM 655 CD2 HIS A 64 -0.843 -21.455 9.691 1.00 0.00 C ATOM 656 CE1 HIS A 64 -2.958 -21.262 9.144 1.00 0.00 C ATOM 657 NE2 HIS A 64 -2.109 -21.951 9.885 1.00 0.00 N ATOM 0 H HIS A 64 1.476 -17.307 9.052 1.00 0.00 H new ATOM 0 HA HIS A 64 1.313 -20.134 9.910 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.325 -18.548 8.066 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.395 -19.917 7.242 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.063 -21.810 10.160 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.025 -21.423 9.090 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -2.354 -22.726 10.501 1.00 0.00 H new ATOM 666 N PHE A 65 3.594 -18.840 8.347 1.00 0.00 N ATOM 667 CA PHE A 65 4.851 -19.022 7.612 1.00 0.00 C ATOM 668 C PHE A 65 4.623 -19.688 6.255 1.00 0.00 C ATOM 669 O PHE A 65 4.772 -20.903 6.118 1.00 0.00 O ATOM 670 CB PHE A 65 5.827 -19.858 8.443 1.00 0.00 C ATOM 671 CG PHE A 65 7.253 -19.393 8.344 1.00 0.00 C ATOM 672 CD1 PHE A 65 8.038 -19.756 7.262 1.00 0.00 C ATOM 673 CD2 PHE A 65 7.805 -18.596 9.332 1.00 0.00 C ATOM 674 CE1 PHE A 65 9.350 -19.330 7.168 1.00 0.00 C ATOM 675 CE2 PHE A 65 9.116 -18.168 9.244 1.00 0.00 C ATOM 676 CZ PHE A 65 9.889 -18.535 8.161 1.00 0.00 C ATOM 0 H PHE A 65 3.558 -17.990 8.909 1.00 0.00 H new ATOM 0 HA PHE A 65 5.275 -18.034 7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.517 -19.832 9.488 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.769 -20.897 8.119 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.621 -20.378 6.484 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.204 -18.305 10.181 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.953 -19.618 6.319 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.535 -17.547 10.022 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.914 -18.201 8.090 1.00 0.00 H new ATOM 686 N LYS A 66 4.258 -18.889 5.256 1.00 0.00 N ATOM 687 CA LYS A 66 4.008 -19.407 3.912 1.00 0.00 C ATOM 688 C LYS A 66 3.490 -18.317 2.976 1.00 0.00 C ATOM 689 O LYS A 66 3.650 -18.415 1.761 1.00 0.00 O ATOM 690 CB LYS A 66 3.002 -20.561 3.963 1.00 0.00 C ATOM 691 CG LYS A 66 1.763 -20.252 4.787 1.00 0.00 C ATOM 692 CD LYS A 66 1.017 -21.521 5.167 1.00 0.00 C ATOM 693 CE LYS A 66 -0.483 -21.287 5.242 1.00 0.00 C ATOM 694 NZ LYS A 66 -1.250 -22.384 4.590 1.00 0.00 N ATOM 0 H LYS A 66 4.129 -17.882 5.350 1.00 0.00 H new ATOM 0 HA LYS A 66 4.958 -19.770 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 66 2.699 -20.813 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.493 -21.442 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.050 -19.713 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.102 -19.596 4.221 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.228 -22.301 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.378 -21.882 6.130 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.785 -21.203 6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.727 -20.339 4.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -2.268 -22.186 4.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.981 -22.448 3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.037 -23.285 5.064 1.00 0.00 H new ATOM 708 N GLU A 67 2.858 -17.287 3.551 1.00 0.00 N ATOM 709 CA GLU A 67 2.301 -16.172 2.777 1.00 0.00 C ATOM 710 C GLU A 67 1.686 -16.648 1.461 1.00 0.00 C ATOM 711 O GLU A 67 2.369 -16.756 0.443 1.00 0.00 O ATOM 712 CB GLU A 67 3.368 -15.099 2.519 1.00 0.00 C ATOM 713 CG GLU A 67 4.496 -15.541 1.597 1.00 0.00 C ATOM 714 CD GLU A 67 4.526 -14.762 0.296 1.00 0.00 C ATOM 715 OE1 GLU A 67 5.072 -13.639 0.289 1.00 0.00 O ATOM 716 OE2 GLU A 67 4.003 -15.276 -0.716 1.00 0.00 O ATOM 0 H GLU A 67 2.719 -17.203 4.558 1.00 0.00 H new ATOM 0 HA GLU A 67 1.502 -15.730 3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.886 -14.221 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.795 -14.792 3.474 1.00 0.00 H new ATOM 0 HG2 GLU A 67 5.449 -15.419 2.111 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.386 -16.603 1.378 1.00 0.00 H new ATOM 723 N PHE A 68 0.389 -16.937 1.498 1.00 0.00 N ATOM 724 CA PHE A 68 -0.327 -17.407 0.316 1.00 0.00 C ATOM 725 C PHE A 68 -1.024 -16.254 -0.401 1.00 0.00 C ATOM 726 O PHE A 68 -2.164 -16.386 -0.846 1.00 0.00 O ATOM 727 CB PHE A 68 -1.353 -18.477 0.705 1.00 0.00 C ATOM 728 CG PHE A 68 -2.093 -18.175 1.979 1.00 0.00 C ATOM 729 CD1 PHE A 68 -2.799 -16.990 2.122 1.00 0.00 C ATOM 730 CD2 PHE A 68 -2.079 -19.073 3.034 1.00 0.00 C ATOM 731 CE1 PHE A 68 -3.477 -16.708 3.293 1.00 0.00 C ATOM 732 CE2 PHE A 68 -2.756 -18.796 4.207 1.00 0.00 C ATOM 733 CZ PHE A 68 -3.456 -17.612 4.336 1.00 0.00 C ATOM 0 H PHE A 68 -0.189 -16.854 2.335 1.00 0.00 H new ATOM 0 HA PHE A 68 0.403 -17.843 -0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.074 -18.587 -0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.843 -19.435 0.810 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -2.819 -16.279 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.533 -20.000 2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.023 -15.781 3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.738 -19.505 5.022 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.986 -17.394 5.251 1.00 0.00 H new ATOM 743 N ASP A 69 -0.333 -15.123 -0.512 1.00 0.00 N ATOM 744 CA ASP A 69 -0.891 -13.951 -1.179 1.00 0.00 C ATOM 745 C ASP A 69 0.097 -12.789 -1.168 1.00 0.00 C ATOM 746 O ASP A 69 0.757 -12.529 -0.162 1.00 0.00 O ATOM 747 CB ASP A 69 -2.198 -13.526 -0.505 1.00 0.00 C ATOM 748 CG ASP A 69 -2.037 -13.314 0.988 1.00 0.00 C ATOM 749 OD1 ASP A 69 -1.457 -14.197 1.653 1.00 0.00 O ATOM 750 OD2 ASP A 69 -2.491 -12.265 1.490 1.00 0.00 O ATOM 0 H ASP A 69 0.612 -14.993 -0.150 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.093 -14.222 -2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -2.557 -12.604 -0.963 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.958 -14.287 -0.681 1.00 0.00 H new ATOM 755 N LYS A 70 0.188 -12.090 -2.296 1.00 0.00 N ATOM 756 CA LYS A 70 1.088 -10.949 -2.421 1.00 0.00 C ATOM 757 C LYS A 70 0.294 -9.656 -2.580 1.00 0.00 C ATOM 758 O LYS A 70 -0.868 -9.678 -2.986 1.00 0.00 O ATOM 759 CB LYS A 70 2.025 -11.139 -3.615 1.00 0.00 C ATOM 760 CG LYS A 70 1.296 -11.363 -4.930 1.00 0.00 C ATOM 761 CD LYS A 70 2.233 -11.215 -6.118 1.00 0.00 C ATOM 762 CE LYS A 70 3.196 -12.386 -6.218 1.00 0.00 C ATOM 763 NZ LYS A 70 4.555 -12.032 -5.722 1.00 0.00 N ATOM 0 H LYS A 70 -0.351 -12.295 -3.137 1.00 0.00 H new ATOM 0 HA LYS A 70 1.685 -10.882 -1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.664 -10.261 -3.708 1.00 0.00 H new ATOM 0 HB3 LYS A 70 2.679 -11.990 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.853 -12.359 -4.937 1.00 0.00 H new ATOM 0 HG3 LYS A 70 0.477 -10.649 -5.020 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.650 -11.143 -7.036 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.796 -10.286 -6.025 1.00 0.00 H new ATOM 0 HE2 LYS A 70 2.807 -13.226 -5.642 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.262 -12.714 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.182 -12.858 -5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.937 -11.247 -6.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.496 -11.744 -4.725 1.00 0.00 H new ATOM 777 N ILE A 71 0.919 -8.532 -2.255 1.00 0.00 N ATOM 778 CA ILE A 71 0.250 -7.242 -2.363 1.00 0.00 C ATOM 779 C ILE A 71 1.022 -6.277 -3.250 1.00 0.00 C ATOM 780 O ILE A 71 2.252 -6.230 -3.225 1.00 0.00 O ATOM 781 CB ILE A 71 0.035 -6.596 -0.985 1.00 0.00 C ATOM 782 CG1 ILE A 71 -0.594 -7.604 -0.031 1.00 0.00 C ATOM 783 CG2 ILE A 71 -0.848 -5.364 -1.113 1.00 0.00 C ATOM 784 CD1 ILE A 71 -0.474 -7.218 1.427 1.00 0.00 C ATOM 0 H ILE A 71 1.880 -8.487 -1.917 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.720 -7.441 -2.818 1.00 0.00 H new ATOM 0 HB ILE A 71 1.001 -6.288 -0.584 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -1.649 -7.719 -0.282 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.123 -8.575 -0.181 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -0.992 -4.916 -0.130 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.370 -4.641 -1.774 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.815 -5.651 -1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -0.944 -7.982 2.046 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.579 -7.131 1.695 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.970 -6.262 1.592 1.00 0.00 H new ATOM 796 N SER A 72 0.278 -5.509 -4.031 1.00 0.00 N ATOM 797 CA SER A 72 0.860 -4.530 -4.937 1.00 0.00 C ATOM 798 C SER A 72 0.053 -3.235 -4.907 1.00 0.00 C ATOM 799 O SER A 72 -1.067 -3.206 -4.398 1.00 0.00 O ATOM 800 CB SER A 72 0.912 -5.098 -6.357 1.00 0.00 C ATOM 801 OG SER A 72 0.893 -4.065 -7.327 1.00 0.00 O ATOM 0 H SER A 72 -0.741 -5.546 -4.055 1.00 0.00 H new ATOM 0 HA SER A 72 1.877 -4.308 -4.612 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.815 -5.697 -6.478 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.064 -5.764 -6.516 1.00 0.00 H new ATOM 0 HG SER A 72 0.929 -4.458 -8.224 1.00 0.00 H new ATOM 807 N TYR A 73 0.626 -2.165 -5.445 1.00 0.00 N ATOM 808 CA TYR A 73 -0.048 -0.874 -5.464 1.00 0.00 C ATOM 809 C TYR A 73 0.299 -0.081 -6.720 1.00 0.00 C ATOM 810 O TYR A 73 1.300 -0.350 -7.382 1.00 0.00 O ATOM 811 CB TYR A 73 0.327 -0.081 -4.212 1.00 0.00 C ATOM 812 CG TYR A 73 1.757 0.413 -4.204 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.791 -0.404 -3.761 1.00 0.00 C ATOM 814 CD2 TYR A 73 2.073 1.695 -4.638 1.00 0.00 C ATOM 815 CE1 TYR A 73 4.099 0.043 -3.753 1.00 0.00 C ATOM 816 CE2 TYR A 73 3.379 2.147 -4.632 1.00 0.00 C ATOM 817 CZ TYR A 73 4.388 1.319 -4.189 1.00 0.00 C ATOM 818 OH TYR A 73 5.688 1.766 -4.182 1.00 0.00 O ATOM 0 H TYR A 73 1.552 -2.166 -5.872 1.00 0.00 H new ATOM 0 HA TYR A 73 -1.124 -1.049 -5.474 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.343 0.774 -4.121 1.00 0.00 H new ATOM 0 HB3 TYR A 73 0.165 -0.707 -3.335 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.569 -1.404 -3.418 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.286 2.348 -4.985 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.891 -0.604 -3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.608 3.146 -4.973 1.00 0.00 H new ATOM 0 HH TYR A 73 5.759 2.574 -4.731 1.00 0.00 H new ATOM 828 N ASP A 74 -0.540 0.903 -7.038 1.00 0.00 N ATOM 829 CA ASP A 74 -0.326 1.743 -8.213 1.00 0.00 C ATOM 830 C ASP A 74 -0.826 3.162 -7.961 1.00 0.00 C ATOM 831 O ASP A 74 -1.975 3.369 -7.572 1.00 0.00 O ATOM 832 CB ASP A 74 -1.031 1.148 -9.434 1.00 0.00 C ATOM 833 CG ASP A 74 -0.327 1.491 -10.728 1.00 0.00 C ATOM 834 OD1 ASP A 74 0.786 0.973 -10.955 1.00 0.00 O ATOM 835 OD2 ASP A 74 -0.891 2.278 -11.513 1.00 0.00 O ATOM 0 H ASP A 74 -1.373 1.137 -6.499 1.00 0.00 H new ATOM 0 HA ASP A 74 0.745 1.782 -8.410 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.084 0.064 -9.328 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.057 1.515 -9.473 1.00 0.00 H new ATOM 840 N ILE A 75 0.048 4.138 -8.183 1.00 0.00 N ATOM 841 CA ILE A 75 -0.303 5.536 -7.976 1.00 0.00 C ATOM 842 C ILE A 75 -0.580 6.237 -9.303 1.00 0.00 C ATOM 843 O ILE A 75 0.298 6.338 -10.156 1.00 0.00 O ATOM 844 CB ILE A 75 0.821 6.285 -7.225 1.00 0.00 C ATOM 845 CG1 ILE A 75 0.499 7.779 -7.106 1.00 0.00 C ATOM 846 CG2 ILE A 75 2.157 6.078 -7.926 1.00 0.00 C ATOM 847 CD1 ILE A 75 0.725 8.334 -5.720 1.00 0.00 C ATOM 0 H ILE A 75 1.003 3.986 -8.506 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.209 5.554 -7.371 1.00 0.00 H new ATOM 0 HB ILE A 75 0.891 5.874 -6.218 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.114 8.333 -7.816 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.541 7.942 -7.389 1.00 0.00 H new ATOM 0 HG21 ILE A 75 2.938 6.612 -7.385 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.394 5.014 -7.950 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.096 6.459 -8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.477 9.395 -5.708 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.090 7.806 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.770 8.202 -5.441 1.00 0.00 H new ATOM 859 N SER A 76 -1.806 6.726 -9.465 1.00 0.00 N ATOM 860 CA SER A 76 -2.193 7.421 -10.677 1.00 0.00 C ATOM 861 C SER A 76 -2.877 8.742 -10.340 1.00 0.00 C ATOM 862 O SER A 76 -3.875 9.114 -10.953 1.00 0.00 O ATOM 863 CB SER A 76 -3.122 6.546 -11.526 1.00 0.00 C ATOM 864 OG SER A 76 -3.274 5.257 -10.959 1.00 0.00 O ATOM 0 H SER A 76 -2.546 6.651 -8.767 1.00 0.00 H new ATOM 0 HA SER A 76 -1.292 7.632 -11.253 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.097 7.025 -11.613 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.720 6.457 -12.535 1.00 0.00 H new ATOM 0 HG SER A 76 -3.894 5.304 -10.201 1.00 0.00 H new ATOM 870 N THR A 77 -2.332 9.443 -9.350 1.00 0.00 N ATOM 871 CA THR A 77 -2.882 10.718 -8.922 1.00 0.00 C ATOM 872 C THR A 77 -2.751 11.769 -10.027 1.00 0.00 C ATOM 873 O THR A 77 -3.746 12.362 -10.448 1.00 0.00 O ATOM 874 CB THR A 77 -2.198 11.199 -7.639 1.00 0.00 C ATOM 875 OG1 THR A 77 -2.471 10.314 -6.565 1.00 0.00 O ATOM 876 CG2 THR A 77 -2.628 12.589 -7.209 1.00 0.00 C ATOM 0 H THR A 77 -1.507 9.145 -8.830 1.00 0.00 H new ATOM 0 HA THR A 77 -3.942 10.574 -8.714 1.00 0.00 H new ATOM 0 HB THR A 77 -1.134 11.224 -7.873 1.00 0.00 H new ATOM 0 HG1 THR A 77 -2.025 10.636 -5.754 1.00 0.00 H new ATOM 0 HG21 THR A 77 -2.104 12.865 -6.294 1.00 0.00 H new ATOM 0 HG22 THR A 77 -2.386 13.304 -7.995 1.00 0.00 H new ATOM 0 HG23 THR A 77 -3.703 12.598 -7.029 1.00 0.00 H new ATOM 884 N PRO A 78 -1.528 12.014 -10.524 1.00 0.00 N ATOM 885 CA PRO A 78 -1.299 12.988 -11.582 1.00 0.00 C ATOM 886 C PRO A 78 -1.945 12.570 -12.899 1.00 0.00 C ATOM 887 O PRO A 78 -2.278 13.402 -13.736 1.00 0.00 O ATOM 888 CB PRO A 78 0.228 13.024 -11.731 1.00 0.00 C ATOM 889 CG PRO A 78 0.687 11.718 -11.192 1.00 0.00 C ATOM 890 CD PRO A 78 -0.279 11.354 -10.095 1.00 0.00 C ATOM 0 HA PRO A 78 -1.735 13.956 -11.336 1.00 0.00 H new ATOM 0 HB2 PRO A 78 0.522 13.148 -12.773 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.661 13.856 -11.176 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.696 10.956 -11.972 1.00 0.00 H new ATOM 0 HG3 PRO A 78 1.704 11.791 -10.807 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.402 10.275 -10.007 1.00 0.00 H new ATOM 0 HD3 PRO A 78 0.057 11.717 -9.124 1.00 0.00 H new ATOM 898 N ILE A 79 -2.126 11.262 -13.060 1.00 0.00 N ATOM 899 CA ILE A 79 -2.742 10.723 -14.263 1.00 0.00 C ATOM 900 C ILE A 79 -4.260 10.693 -14.133 1.00 0.00 C ATOM 901 O ILE A 79 -4.985 10.896 -15.110 1.00 0.00 O ATOM 902 CB ILE A 79 -2.240 9.303 -14.568 1.00 0.00 C ATOM 903 CG1 ILE A 79 -0.715 9.252 -14.485 1.00 0.00 C ATOM 904 CG2 ILE A 79 -2.723 8.844 -15.929 1.00 0.00 C ATOM 905 CD1 ILE A 79 -0.021 10.086 -15.548 1.00 0.00 C ATOM 0 H ILE A 79 -1.855 10.559 -12.372 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.459 11.382 -15.084 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.648 8.622 -13.821 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -0.401 9.599 -13.500 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.389 8.216 -14.577 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.356 7.836 -16.125 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.813 8.843 -15.947 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.348 9.522 -16.696 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.059 10.002 -15.428 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.305 9.725 -16.537 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.318 11.129 -15.443 1.00 0.00 H new ATOM 917 N ASN A 80 -4.742 10.443 -12.917 1.00 0.00 N ATOM 918 CA ASN A 80 -6.179 10.392 -12.664 1.00 0.00 C ATOM 919 C ASN A 80 -6.472 10.177 -11.183 1.00 0.00 C ATOM 920 O ASN A 80 -6.759 11.130 -10.458 1.00 0.00 O ATOM 921 CB ASN A 80 -6.822 9.278 -13.497 1.00 0.00 C ATOM 922 CG ASN A 80 -7.701 9.824 -14.605 1.00 0.00 C ATOM 923 OD1 ASN A 80 -7.687 11.021 -14.897 1.00 0.00 O ATOM 924 ND2 ASN A 80 -8.465 8.945 -15.248 1.00 0.00 N ATOM 0 H ASN A 80 -4.161 10.273 -12.096 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.608 11.351 -12.957 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.040 8.654 -13.930 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.417 8.638 -12.846 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.066 9.254 -16.012 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.449 7.962 -14.977 1.00 0.00 H new ATOM 931 N PHE A 81 -6.417 8.922 -10.739 1.00 0.00 N ATOM 932 CA PHE A 81 -6.693 8.590 -9.342 1.00 0.00 C ATOM 933 C PHE A 81 -5.701 7.578 -8.785 1.00 0.00 C ATOM 934 O PHE A 81 -4.904 6.991 -9.521 1.00 0.00 O ATOM 935 CB PHE A 81 -8.121 8.051 -9.205 1.00 0.00 C ATOM 936 CG PHE A 81 -9.136 9.107 -8.860 1.00 0.00 C ATOM 937 CD1 PHE A 81 -9.449 10.109 -9.763 1.00 0.00 C ATOM 938 CD2 PHE A 81 -9.773 9.094 -7.630 1.00 0.00 C ATOM 939 CE1 PHE A 81 -10.377 11.076 -9.446 1.00 0.00 C ATOM 940 CE2 PHE A 81 -10.703 10.059 -7.306 1.00 0.00 C ATOM 941 CZ PHE A 81 -11.007 11.054 -8.217 1.00 0.00 C ATOM 0 H PHE A 81 -6.184 8.120 -11.325 1.00 0.00 H new ATOM 0 HA PHE A 81 -6.587 9.506 -8.761 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.411 7.573 -10.141 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -8.136 7.280 -8.435 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -8.960 10.132 -10.726 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.538 8.318 -6.916 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -10.612 11.852 -10.159 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -11.193 10.038 -6.344 1.00 0.00 H new ATOM 0 HZ PHE A 81 -11.735 11.812 -7.968 1.00 0.00 H new ATOM 951 N LEU A 82 -5.760 7.372 -7.473 1.00 0.00 N ATOM 952 CA LEU A 82 -4.881 6.425 -6.802 1.00 0.00 C ATOM 953 C LEU A 82 -5.597 5.093 -6.598 1.00 0.00 C ATOM 954 O LEU A 82 -6.575 5.014 -5.855 1.00 0.00 O ATOM 955 CB LEU A 82 -4.425 6.986 -5.453 1.00 0.00 C ATOM 956 CG LEU A 82 -3.171 6.349 -4.870 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.931 6.992 -5.464 1.00 0.00 C ATOM 958 CD2 LEU A 82 -3.161 6.467 -3.353 1.00 0.00 C ATOM 0 H LEU A 82 -6.412 7.852 -6.852 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.004 6.262 -7.429 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.250 8.056 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.238 6.869 -4.737 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.171 5.290 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.041 6.528 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.932 6.853 -6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.929 8.058 -5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.256 6.005 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.185 7.519 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.035 5.961 -2.943 1.00 0.00 H new ATOM 970 N CYS A 83 -5.118 4.047 -7.267 1.00 0.00 N ATOM 971 CA CYS A 83 -5.735 2.728 -7.155 1.00 0.00 C ATOM 972 C CYS A 83 -4.721 1.673 -6.752 1.00 0.00 C ATOM 973 O CYS A 83 -3.625 1.605 -7.307 1.00 0.00 O ATOM 974 CB CYS A 83 -6.395 2.338 -8.479 1.00 0.00 C ATOM 975 SG CYS A 83 -5.345 2.586 -9.928 1.00 0.00 S ATOM 0 H CYS A 83 -4.310 4.086 -7.888 1.00 0.00 H new ATOM 0 HA CYS A 83 -6.495 2.782 -6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -6.688 1.289 -8.431 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.309 2.919 -8.602 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.990 2.226 -10.998 1.00 0.00 H new ATOM 981 N ILE A 84 -5.093 0.844 -5.784 1.00 0.00 N ATOM 982 CA ILE A 84 -4.214 -0.216 -5.310 1.00 0.00 C ATOM 983 C ILE A 84 -4.609 -1.560 -5.914 1.00 0.00 C ATOM 984 O ILE A 84 -5.788 -1.830 -6.139 1.00 0.00 O ATOM 985 CB ILE A 84 -4.222 -0.303 -3.760 1.00 0.00 C ATOM 986 CG1 ILE A 84 -2.833 0.044 -3.211 1.00 0.00 C ATOM 987 CG2 ILE A 84 -4.661 -1.685 -3.278 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.624 -0.356 -1.766 1.00 0.00 C ATOM 0 H ILE A 84 -5.997 0.886 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.202 0.028 -5.633 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.946 0.419 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.078 -0.446 -3.826 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -2.674 1.118 -3.307 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.655 -1.709 -2.188 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -5.668 -1.894 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -3.974 -2.439 -3.662 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -1.618 -0.077 -1.453 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.354 0.154 -1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.749 -1.434 -1.665 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.613 -2.399 -6.168 1.00 0.00 N ATOM 1001 CA PHE A 85 -3.850 -3.717 -6.740 1.00 0.00 C ATOM 1002 C PHE A 85 -3.148 -4.789 -5.914 1.00 0.00 C ATOM 1003 O PHE A 85 -1.930 -4.941 -5.987 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.363 -3.766 -8.189 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.470 -3.633 -9.198 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.208 -4.741 -9.585 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -4.771 -2.403 -9.758 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.226 -4.623 -10.512 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -5.788 -2.278 -10.685 1.00 0.00 C ATOM 1010 CZ PHE A 85 -6.516 -3.390 -11.063 1.00 0.00 C ATOM 0 H PHE A 85 -2.632 -2.189 -5.986 1.00 0.00 H new ATOM 0 HA PHE A 85 -4.923 -3.911 -6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.639 -2.967 -8.348 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.840 -4.708 -8.357 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.985 -5.707 -9.157 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.204 -1.531 -9.467 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.794 -5.494 -10.805 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.014 -1.313 -11.113 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.311 -3.295 -11.788 1.00 0.00 H new ATOM 1020 N ILE A 86 -3.925 -5.526 -5.129 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.379 -6.585 -4.286 1.00 0.00 C ATOM 1022 C ILE A 86 -3.635 -7.961 -4.908 1.00 0.00 C ATOM 1023 O ILE A 86 -4.758 -8.468 -4.869 1.00 0.00 O ATOM 1024 CB ILE A 86 -3.980 -6.528 -2.863 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.584 -7.767 -2.053 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -5.494 -6.393 -2.928 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.094 -7.746 -0.629 1.00 0.00 C ATOM 0 H ILE A 86 -4.936 -5.410 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.303 -6.428 -4.213 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.576 -5.650 -2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.966 -8.656 -2.554 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.497 -7.851 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.900 -6.354 -1.917 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -5.755 -5.478 -3.459 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.913 -7.250 -3.455 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.776 -8.653 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.691 -6.876 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.183 -7.694 -0.633 1.00 0.00 H new ATOM 1039 N PRO A 87 -2.599 -8.581 -5.509 1.00 0.00 N ATOM 1040 CA PRO A 87 -2.718 -9.889 -6.152 1.00 0.00 C ATOM 1041 C PRO A 87 -2.647 -11.041 -5.158 1.00 0.00 C ATOM 1042 O PRO A 87 -1.594 -11.322 -4.588 1.00 0.00 O ATOM 1043 CB PRO A 87 -1.514 -9.942 -7.109 1.00 0.00 C ATOM 1044 CG PRO A 87 -0.786 -8.642 -6.941 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.235 -8.060 -5.632 1.00 0.00 C ATOM 0 HA PRO A 87 -3.681 -9.999 -6.650 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.865 -10.785 -6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -1.842 -10.074 -8.140 1.00 0.00 H new ATOM 0 HG2 PRO A 87 0.293 -8.800 -6.944 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.012 -7.963 -7.764 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.601 -8.381 -4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.216 -6.970 -5.644 1.00 0.00 H new ATOM 1053 N THR A 88 -3.774 -11.713 -4.965 1.00 0.00 N ATOM 1054 CA THR A 88 -3.841 -12.844 -4.047 1.00 0.00 C ATOM 1055 C THR A 88 -4.323 -14.097 -4.774 1.00 0.00 C ATOM 1056 O THR A 88 -5.500 -14.215 -5.118 1.00 0.00 O ATOM 1057 CB THR A 88 -4.766 -12.519 -2.872 1.00 0.00 C ATOM 1058 OG1 THR A 88 -4.820 -13.602 -1.961 1.00 0.00 O ATOM 1059 CG2 THR A 88 -6.184 -12.200 -3.292 1.00 0.00 C ATOM 0 H THR A 88 -4.655 -11.495 -5.431 1.00 0.00 H new ATOM 0 HA THR A 88 -2.840 -13.036 -3.660 1.00 0.00 H new ATOM 0 HB THR A 88 -4.337 -11.632 -2.406 1.00 0.00 H new ATOM 0 HG1 THR A 88 -5.415 -13.374 -1.217 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.784 -11.979 -2.409 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.181 -11.334 -3.954 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.610 -13.056 -3.815 1.00 0.00 H new ATOM 1067 N LEU A 89 -3.402 -15.028 -5.012 1.00 0.00 N ATOM 1068 CA LEU A 89 -3.727 -16.273 -5.709 1.00 0.00 C ATOM 1069 C LEU A 89 -4.937 -16.962 -5.084 1.00 0.00 C ATOM 1070 O LEU A 89 -5.701 -17.636 -5.774 1.00 0.00 O ATOM 1071 CB LEU A 89 -2.524 -17.219 -5.690 1.00 0.00 C ATOM 1072 CG LEU A 89 -2.355 -18.075 -6.946 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -1.738 -17.257 -8.070 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -1.502 -19.299 -6.645 1.00 0.00 C ATOM 0 H LEU A 89 -2.424 -14.945 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.974 -16.022 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.619 -16.629 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -2.614 -17.880 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 89 -3.340 -18.413 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.625 -17.882 -8.956 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.386 -16.412 -8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.760 -16.890 -7.758 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.392 -19.897 -7.550 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -0.519 -18.981 -6.298 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -1.984 -19.897 -5.871 1.00 0.00 H new ATOM 1086 N PHE A 90 -5.102 -16.791 -3.777 1.00 0.00 N ATOM 1087 CA PHE A 90 -6.217 -17.398 -3.062 1.00 0.00 C ATOM 1088 C PHE A 90 -6.130 -18.918 -3.112 1.00 0.00 C ATOM 1089 O PHE A 90 -5.885 -19.507 -4.164 1.00 0.00 O ATOM 1090 CB PHE A 90 -7.552 -16.925 -3.645 1.00 0.00 C ATOM 1091 CG PHE A 90 -8.752 -17.602 -3.044 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -9.100 -18.890 -3.420 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -9.532 -16.949 -2.103 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -10.203 -19.513 -2.869 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -10.637 -17.569 -1.548 1.00 0.00 C ATOM 1096 CZ PHE A 90 -10.972 -18.852 -1.932 1.00 0.00 C ATOM 0 H PHE A 90 -4.477 -16.237 -3.191 1.00 0.00 H new ATOM 0 HA PHE A 90 -6.160 -17.084 -2.020 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.642 -15.849 -3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -7.550 -17.099 -4.721 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.502 -19.412 -4.152 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -9.274 -15.945 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.464 -20.517 -3.171 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -11.237 -17.050 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.834 -19.338 -1.500 1.00 0.00 H new ATOM 1106 N ASP A 91 -6.335 -19.543 -1.961 1.00 0.00 N ATOM 1107 CA ASP A 91 -6.283 -20.996 -1.855 1.00 0.00 C ATOM 1108 C ASP A 91 -6.582 -21.444 -0.428 1.00 0.00 C ATOM 1109 O ASP A 91 -7.560 -22.148 -0.178 1.00 0.00 O ATOM 1110 CB ASP A 91 -4.910 -21.515 -2.287 1.00 0.00 C ATOM 1111 CG ASP A 91 -4.995 -22.845 -3.009 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -5.940 -23.028 -3.805 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -4.117 -23.703 -2.780 1.00 0.00 O ATOM 0 H ASP A 91 -6.540 -19.065 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.043 -21.411 -2.517 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.436 -20.781 -2.938 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.272 -21.621 -1.409 1.00 0.00 H new ATOM 1118 N MET A 92 -5.733 -21.025 0.503 1.00 0.00 N ATOM 1119 CA MET A 92 -5.903 -21.376 1.909 1.00 0.00 C ATOM 1120 C MET A 92 -5.979 -20.121 2.772 1.00 0.00 C ATOM 1121 O MET A 92 -5.559 -20.124 3.929 1.00 0.00 O ATOM 1122 CB MET A 92 -4.749 -22.264 2.376 1.00 0.00 C ATOM 1123 CG MET A 92 -5.176 -23.353 3.348 1.00 0.00 C ATOM 1124 SD MET A 92 -5.180 -22.794 5.062 1.00 0.00 S ATOM 1125 CE MET A 92 -6.718 -23.501 5.646 1.00 0.00 C ATOM 0 H MET A 92 -4.919 -20.441 0.310 1.00 0.00 H new ATOM 0 HA MET A 92 -6.838 -21.926 2.014 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.282 -22.727 1.506 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.991 -21.641 2.851 1.00 0.00 H new ATOM 0 HG2 MET A 92 -6.174 -23.701 3.081 1.00 0.00 H new ATOM 0 HG3 MET A 92 -4.504 -24.206 3.250 1.00 0.00 H new ATOM 0 HE1 MET A 92 -6.862 -23.242 6.695 1.00 0.00 H new ATOM 0 HE2 MET A 92 -7.546 -23.107 5.057 1.00 0.00 H new ATOM 0 HE3 MET A 92 -6.683 -24.585 5.542 1.00 0.00 H new ATOM 1135 N ASN A 93 -6.513 -19.048 2.197 1.00 0.00 N ATOM 1136 CA ASN A 93 -6.643 -17.783 2.910 1.00 0.00 C ATOM 1137 C ASN A 93 -8.053 -17.609 3.465 1.00 0.00 C ATOM 1138 O ASN A 93 -8.242 -17.037 4.539 1.00 0.00 O ATOM 1139 CB ASN A 93 -6.304 -16.616 1.980 1.00 0.00 C ATOM 1140 CG ASN A 93 -7.245 -16.526 0.796 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -7.240 -17.388 -0.084 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -8.062 -15.480 0.767 1.00 0.00 N ATOM 0 H ASN A 93 -6.863 -19.030 1.239 1.00 0.00 H new ATOM 0 HA ASN A 93 -5.943 -17.793 3.746 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -6.343 -15.684 2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.281 -16.728 1.620 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.719 -15.367 -0.005 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -8.033 -14.789 1.517 1.00 0.00 H new ATOM 1149 N ASN A 94 -9.041 -18.106 2.727 1.00 0.00 N ATOM 1150 CA ASN A 94 -10.433 -18.001 3.147 1.00 0.00 C ATOM 1151 C ASN A 94 -10.847 -16.538 3.278 1.00 0.00 C ATOM 1152 O ASN A 94 -11.124 -16.056 4.377 1.00 0.00 O ATOM 1153 CB ASN A 94 -10.644 -18.729 4.476 1.00 0.00 C ATOM 1154 CG ASN A 94 -11.088 -20.165 4.284 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -12.281 -20.469 4.318 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -10.128 -21.060 4.081 1.00 0.00 N ATOM 0 H ASN A 94 -8.903 -18.585 1.837 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.056 -18.470 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.716 -18.712 5.048 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -11.391 -18.196 5.064 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -10.367 -22.042 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -9.152 -20.765 4.060 1.00 0.00 H new ATOM 1163 N MET A 95 -10.882 -15.836 2.151 1.00 0.00 N ATOM 1164 CA MET A 95 -11.257 -14.426 2.135 1.00 0.00 C ATOM 1165 C MET A 95 -10.229 -13.585 2.885 1.00 0.00 C ATOM 1166 O MET A 95 -10.278 -13.472 4.110 1.00 0.00 O ATOM 1167 CB MET A 95 -12.645 -14.236 2.754 1.00 0.00 C ATOM 1168 CG MET A 95 -13.616 -13.493 1.851 1.00 0.00 C ATOM 1169 SD MET A 95 -15.183 -13.129 2.666 1.00 0.00 S ATOM 1170 CE MET A 95 -16.341 -13.864 1.515 1.00 0.00 C ATOM 0 H MET A 95 -10.655 -16.221 1.234 1.00 0.00 H new ATOM 0 HA MET A 95 -11.285 -14.093 1.097 1.00 0.00 H new ATOM 0 HB2 MET A 95 -13.062 -15.213 2.997 1.00 0.00 H new ATOM 0 HB3 MET A 95 -12.544 -13.690 3.692 1.00 0.00 H new ATOM 0 HG2 MET A 95 -13.158 -12.561 1.520 1.00 0.00 H new ATOM 0 HG3 MET A 95 -13.805 -14.089 0.958 1.00 0.00 H new ATOM 0 HE1 MET A 95 -17.358 -13.721 1.881 1.00 0.00 H new ATOM 0 HE2 MET A 95 -16.236 -13.389 0.540 1.00 0.00 H new ATOM 0 HE3 MET A 95 -16.135 -14.930 1.423 1.00 0.00 H new ATOM 1180 N ASP A 96 -9.295 -12.998 2.141 1.00 0.00 N ATOM 1181 CA ASP A 96 -8.251 -12.168 2.732 1.00 0.00 C ATOM 1182 C ASP A 96 -8.850 -11.087 3.627 1.00 0.00 C ATOM 1183 O ASP A 96 -10.068 -11.000 3.783 1.00 0.00 O ATOM 1184 CB ASP A 96 -7.401 -11.524 1.635 1.00 0.00 C ATOM 1185 CG ASP A 96 -5.920 -11.549 1.962 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -5.316 -12.640 1.893 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -5.366 -10.478 2.285 1.00 0.00 O ATOM 0 H ASP A 96 -9.241 -13.083 1.126 1.00 0.00 H new ATOM 0 HA ASP A 96 -7.618 -12.810 3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -7.571 -12.046 0.693 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -7.721 -10.492 1.490 1.00 0.00 H new ATOM 1192 N LEU A 97 -7.986 -10.266 4.216 1.00 0.00 N ATOM 1193 CA LEU A 97 -8.431 -9.193 5.097 1.00 0.00 C ATOM 1194 C LEU A 97 -8.155 -7.826 4.477 1.00 0.00 C ATOM 1195 O LEU A 97 -7.209 -7.138 4.860 1.00 0.00 O ATOM 1196 CB LEU A 97 -7.738 -9.305 6.459 1.00 0.00 C ATOM 1197 CG LEU A 97 -8.630 -9.797 7.600 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -9.729 -8.788 7.892 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -9.227 -11.155 7.260 1.00 0.00 C ATOM 0 H LEU A 97 -6.974 -10.324 4.099 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.507 -9.292 5.237 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.889 -9.982 6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -7.337 -8.328 6.727 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.017 -9.904 8.495 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.353 -9.155 8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -9.282 -7.836 8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -10.341 -8.648 7.001 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.859 -11.491 8.082 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -9.825 -11.073 6.353 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.425 -11.876 7.101 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.990 -7.438 3.520 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.840 -6.150 2.849 1.00 0.00 C ATOM 1213 C LEU A 98 -9.293 -5.003 3.752 1.00 0.00 C ATOM 1214 O LEU A 98 -9.068 -3.833 3.441 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.640 -6.134 1.546 1.00 0.00 C ATOM 1216 CG LEU A 98 -9.542 -7.415 0.710 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -10.927 -7.981 0.430 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -8.803 -7.147 -0.594 1.00 0.00 C ATOM 0 H LEU A 98 -9.778 -7.996 3.191 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.783 -6.011 2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.688 -5.952 1.783 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.300 -5.295 0.939 1.00 0.00 H new ATOM 0 HG LEU A 98 -8.979 -8.153 1.281 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -10.835 -8.890 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -11.423 -8.213 1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -11.516 -7.246 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -8.743 -8.068 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -9.339 -6.391 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.797 -6.790 -0.375 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.933 -5.344 4.869 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.417 -4.343 5.813 1.00 0.00 C ATOM 1232 C LYS A 99 -9.289 -3.424 6.277 1.00 0.00 C ATOM 1233 O LYS A 99 -9.535 -2.303 6.719 1.00 0.00 O ATOM 1234 CB LYS A 99 -11.057 -5.024 7.023 1.00 0.00 C ATOM 1235 CG LYS A 99 -12.538 -5.315 6.847 1.00 0.00 C ATOM 1236 CD LYS A 99 -13.313 -5.068 8.132 1.00 0.00 C ATOM 1237 CE LYS A 99 -13.933 -3.682 8.150 1.00 0.00 C ATOM 1238 NZ LYS A 99 -15.290 -3.691 8.764 1.00 0.00 N ATOM 0 H LYS A 99 -10.128 -6.308 5.141 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.163 -3.736 5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.533 -5.959 7.222 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -10.922 -4.390 7.899 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.941 -4.687 6.052 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -12.671 -6.351 6.534 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.096 -5.819 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -12.647 -5.181 8.987 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -13.287 -3.002 8.706 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.997 -3.299 7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -15.680 -2.727 8.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -15.913 -4.320 8.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.225 -4.032 9.744 1.00 0.00 H new ATOM 1252 N GLN A 100 -8.053 -3.905 6.180 1.00 0.00 N ATOM 1253 CA GLN A 100 -6.896 -3.122 6.597 1.00 0.00 C ATOM 1254 C GLN A 100 -6.549 -2.068 5.552 1.00 0.00 C ATOM 1255 O GLN A 100 -6.408 -0.887 5.866 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.696 -4.040 6.838 1.00 0.00 C ATOM 1257 CG GLN A 100 -5.173 -3.996 8.266 1.00 0.00 C ATOM 1258 CD GLN A 100 -3.667 -3.834 8.331 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -3.103 -2.916 7.737 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -3.008 -4.729 9.057 1.00 0.00 N ATOM 0 H GLN A 100 -7.828 -4.831 5.817 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.146 -2.613 7.528 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.978 -5.064 6.595 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -4.892 -3.760 6.157 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -5.647 -3.170 8.797 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.459 -4.913 8.782 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.517 -5.474 9.533 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -1.993 -4.672 9.139 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.410 -2.505 4.309 1.00 0.00 N ATOM 1270 CA ALA A 101 -6.075 -1.607 3.212 1.00 0.00 C ATOM 1271 C ALA A 101 -7.066 -0.448 3.114 1.00 0.00 C ATOM 1272 O ALA A 101 -6.678 0.693 2.856 1.00 0.00 O ATOM 1273 CB ALA A 101 -6.035 -2.384 1.905 1.00 0.00 C ATOM 0 H ALA A 101 -6.524 -3.480 4.033 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.091 -1.181 3.409 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.784 -1.708 1.087 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.282 -3.169 1.971 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -7.011 -2.833 1.718 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.347 -0.748 3.308 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.388 0.271 3.228 1.00 0.00 C ATOM 1281 C LEU A 102 -9.413 1.154 4.473 1.00 0.00 C ATOM 1282 O LEU A 102 -9.621 2.361 4.373 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.756 -0.380 3.015 1.00 0.00 C ATOM 1284 CG LEU A 102 -11.177 -1.397 4.074 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -11.852 -0.707 5.249 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -12.103 -2.441 3.464 1.00 0.00 C ATOM 0 H LEU A 102 -8.688 -1.685 3.521 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.158 0.908 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -11.510 0.406 2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.756 -0.874 2.043 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.282 -1.897 4.444 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -12.143 -1.452 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.159 0.003 5.701 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.738 -0.177 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.395 -3.160 4.230 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.992 -1.951 3.067 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.585 -2.960 2.658 1.00 0.00 H new ATOM 1298 N LEU A 103 -9.212 0.561 5.643 1.00 0.00 N ATOM 1299 CA LEU A 103 -9.224 1.324 6.888 1.00 0.00 C ATOM 1300 C LEU A 103 -7.991 2.223 6.992 1.00 0.00 C ATOM 1301 O LEU A 103 -8.004 3.218 7.718 1.00 0.00 O ATOM 1302 CB LEU A 103 -9.318 0.390 8.103 1.00 0.00 C ATOM 1303 CG LEU A 103 -7.989 -0.169 8.622 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -7.275 0.856 9.489 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -8.225 -1.452 9.406 1.00 0.00 C ATOM 0 H LEU A 103 -9.040 -0.438 5.758 1.00 0.00 H new ATOM 0 HA LEU A 103 -10.108 1.961 6.880 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.805 0.930 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -9.966 -0.447 7.844 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.354 -0.394 7.765 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.334 0.438 9.847 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -7.074 1.752 8.902 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.904 1.114 10.341 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.272 -1.837 9.768 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -8.879 -1.246 10.253 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -8.693 -2.193 8.758 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.942 1.879 6.261 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.714 2.666 6.276 1.00 0.00 C ATOM 1319 C ILE A 104 -5.821 3.867 5.339 1.00 0.00 C ATOM 1320 O ILE A 104 -5.408 4.971 5.688 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.492 1.812 5.876 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -4.312 0.653 6.858 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -3.232 2.667 5.827 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -3.717 -0.587 6.227 1.00 0.00 C ATOM 0 H ILE A 104 -6.914 1.062 5.651 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.575 3.020 7.297 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.667 1.403 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -3.670 0.978 7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -5.280 0.401 7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -2.382 2.046 5.543 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -3.361 3.463 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -3.050 3.104 6.809 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.618 -1.367 6.981 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -4.369 -0.937 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.735 -0.351 5.818 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.369 3.638 4.151 1.00 0.00 N ATOM 1337 CA LEU A 105 -6.529 4.715 3.173 1.00 0.00 C ATOM 1338 C LEU A 105 -7.601 5.700 3.614 1.00 0.00 C ATOM 1339 O LEU A 105 -7.539 6.882 3.284 1.00 0.00 O ATOM 1340 CB LEU A 105 -6.869 4.138 1.796 1.00 0.00 C ATOM 1341 CG LEU A 105 -8.277 3.551 1.666 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.294 4.651 1.377 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -8.309 2.491 0.573 1.00 0.00 C ATOM 0 H LEU A 105 -6.708 2.727 3.841 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.583 5.253 3.105 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.750 4.924 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.144 3.360 1.557 1.00 0.00 H new ATOM 0 HG LEU A 105 -8.544 3.081 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -10.288 4.213 1.288 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.288 5.375 2.192 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -9.033 5.152 0.444 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -9.316 2.082 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.022 2.940 -0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.612 1.691 0.822 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.581 5.206 4.365 1.00 0.00 N ATOM 1356 CA HIS A 106 -9.668 6.051 4.852 1.00 0.00 C ATOM 1357 C HIS A 106 -9.201 6.925 6.012 1.00 0.00 C ATOM 1358 O HIS A 106 -9.375 8.142 5.997 1.00 0.00 O ATOM 1359 CB HIS A 106 -10.858 5.193 5.290 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.175 5.693 4.801 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -12.408 6.044 3.487 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -13.344 5.908 5.455 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -13.660 6.452 3.355 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -14.249 6.376 4.534 1.00 0.00 N ATOM 0 H HIS A 106 -8.645 4.228 4.649 1.00 0.00 H new ATOM 0 HA HIS A 106 -9.981 6.700 4.034 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.711 4.174 4.931 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.879 5.147 6.379 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -13.529 5.742 6.506 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -14.121 6.790 2.439 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -15.219 6.625 4.729 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.604 6.293 7.016 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.107 7.009 8.185 1.00 0.00 C ATOM 1375 C ASN A 107 -7.091 8.072 7.780 1.00 0.00 C ATOM 1376 O ASN A 107 -7.039 9.152 8.362 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.472 6.030 9.178 1.00 0.00 C ATOM 1378 CG ASN A 107 -8.457 5.563 10.233 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -9.660 5.481 9.985 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -7.944 5.249 11.420 1.00 0.00 N ATOM 0 H ASN A 107 -8.452 5.285 7.044 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.952 7.504 8.664 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.085 5.166 8.637 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.622 6.509 9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -8.555 4.925 12.170 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.940 5.333 11.580 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.274 7.748 6.778 1.00 0.00 N ATOM 1388 CA ASP A 108 -5.259 8.676 6.292 1.00 0.00 C ATOM 1389 C ASP A 108 -5.899 9.853 5.569 1.00 0.00 C ATOM 1390 O ASP A 108 -5.394 10.966 5.609 1.00 0.00 O ATOM 1391 CB ASP A 108 -4.287 7.954 5.358 1.00 0.00 C ATOM 1392 CG ASP A 108 -2.895 8.527 5.420 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -2.107 8.090 6.288 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -2.579 9.422 4.607 1.00 0.00 O ATOM 0 H ASP A 108 -6.297 6.853 6.290 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.710 9.059 7.152 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.253 6.897 5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.657 8.017 4.335 1.00 0.00 H new ATOM 1399 N LEU A 109 -7.022 9.593 4.905 1.00 0.00 N ATOM 1400 CA LEU A 109 -7.735 10.631 4.172 1.00 0.00 C ATOM 1401 C LEU A 109 -8.555 11.503 5.121 1.00 0.00 C ATOM 1402 O LEU A 109 -8.717 12.705 4.898 1.00 0.00 O ATOM 1403 CB LEU A 109 -8.651 10.007 3.114 1.00 0.00 C ATOM 1404 CG LEU A 109 -8.480 10.564 1.701 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -9.366 9.811 0.720 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -8.810 12.055 1.676 1.00 0.00 C ATOM 0 H LEU A 109 -7.457 8.671 4.860 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.996 11.260 3.675 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -8.472 8.932 3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -9.687 10.150 3.422 1.00 0.00 H new ATOM 0 HG LEU A 109 -7.441 10.431 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.231 10.221 -0.281 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.093 8.756 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -10.409 9.916 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -8.684 12.439 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -9.841 12.205 1.995 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -8.140 12.587 2.352 1.00 0.00 H new ATOM 1418 N HIS A 110 -9.071 10.889 6.181 1.00 0.00 N ATOM 1419 CA HIS A 110 -9.875 11.608 7.164 1.00 0.00 C ATOM 1420 C HIS A 110 -9.017 12.600 7.944 1.00 0.00 C ATOM 1421 O HIS A 110 -9.502 13.648 8.365 1.00 0.00 O ATOM 1422 CB HIS A 110 -10.540 10.621 8.127 1.00 0.00 C ATOM 1423 CG HIS A 110 -12.018 10.490 7.921 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -12.728 9.354 8.249 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -12.920 11.358 7.417 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -14.000 9.528 7.956 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -14.150 10.743 7.449 1.00 0.00 N ATOM 0 H HIS A 110 -8.947 9.897 6.381 1.00 0.00 H new ATOM 0 HA HIS A 110 -10.648 12.163 6.633 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -10.076 9.642 8.009 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -10.351 10.942 9.151 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -12.714 12.354 7.054 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -14.787 8.804 8.104 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.030 11.153 7.135 1.00 0.00 H new ATOM 1436 N GLU A 111 -7.746 12.254 8.131 1.00 0.00 N ATOM 1437 CA GLU A 111 -6.823 13.113 8.861 1.00 0.00 C ATOM 1438 C GLU A 111 -6.452 14.345 8.033 1.00 0.00 C ATOM 1439 O GLU A 111 -6.771 15.472 8.402 1.00 0.00 O ATOM 1440 CB GLU A 111 -5.564 12.335 9.239 1.00 0.00 C ATOM 1441 CG GLU A 111 -4.887 12.849 10.502 1.00 0.00 C ATOM 1442 CD GLU A 111 -3.398 12.555 10.530 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -2.725 12.814 9.511 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -2.912 12.063 11.570 1.00 0.00 O ATOM 0 H GLU A 111 -7.334 11.386 7.787 1.00 0.00 H new ATOM 0 HA GLU A 111 -7.319 13.449 9.771 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -5.823 11.285 9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.856 12.382 8.412 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.042 13.925 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -5.359 12.395 11.373 1.00 0.00 H new