USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 549 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 80 ASN : amide:sc= -0.8 X(o=-11,f=-10!) USER MOD Set 1.2: A 84 HIS : no HE2:sc= -5.17! C(o=-11!,f=-9.3!) USER MOD Set 1.3: A 95 CYS SG : rot 131:sc= -4.66! USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot 47:sc= 0.398 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -150:sc= -0.582 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 112:sc= 0.653 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.0651 USER MOD Single : A 110 ASN : amide:sc= -3.31 K(o=-3.3,f=-1.2) USER MOD Single : A 113 GLN : amide:sc= -1.32 K(o=-1.3,f=-4.8!) USER MOD Single : A 119 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -0.548! C(o=-0.55!,f=-2.9!) USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 SER OG : rot -118:sc= 1.08 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= -0.248 K(o=-0.25,f=-0.79) USER MOD Single : A 136 GLN : amide:sc=-0.000127 X(o=-0.00013,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -4.484 5.581 3.938 1.00 0.00 N ATOM 60 CA GLY A 68 -3.262 4.816 4.108 1.00 0.00 C ATOM 61 C GLY A 68 -3.371 3.416 3.538 1.00 0.00 C ATOM 62 O GLY A 68 -4.361 2.720 3.768 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.439 5.340 3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.020 4.755 5.169 1.00 0.00 H new ATOM 66 N ILE A 69 -2.352 3.002 2.793 1.00 0.00 N ATOM 67 CA ILE A 69 -2.338 1.676 2.188 1.00 0.00 C ATOM 68 C ILE A 69 -1.046 0.935 2.516 1.00 0.00 C ATOM 69 O ILE A 69 -0.035 1.550 2.859 1.00 0.00 O ATOM 70 CB ILE A 69 -2.497 1.753 0.658 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.329 2.524 0.040 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.822 2.407 0.296 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.149 1.648 -0.317 1.00 0.00 C ATOM 0 H ILE A 69 -1.525 3.566 2.594 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.184 1.130 2.606 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.492 0.740 0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.676 3.036 -0.858 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -1.002 3.294 0.739 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.920 2.454 -0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.642 1.820 0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.854 3.416 0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.641 2.261 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.224 1.156 0.581 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.461 0.894 -1.040 1.00 0.00 H new ATOM 85 N LEU A 70 -1.085 -0.388 2.408 1.00 0.00 N ATOM 86 CA LEU A 70 0.083 -1.214 2.692 1.00 0.00 C ATOM 87 C LEU A 70 0.191 -2.365 1.697 1.00 0.00 C ATOM 88 O LEU A 70 -0.739 -3.160 1.549 1.00 0.00 O ATOM 89 CB LEU A 70 0.011 -1.762 4.118 1.00 0.00 C ATOM 90 CG LEU A 70 0.780 -3.058 4.379 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.278 -2.820 4.274 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.422 -3.625 5.745 1.00 0.00 C ATOM 0 H LEU A 70 -1.913 -0.912 2.126 1.00 0.00 H new ATOM 0 HA LEU A 70 0.971 -0.589 2.594 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.385 -0.998 4.799 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.037 -1.928 4.370 1.00 0.00 H new ATOM 0 HG LEU A 70 0.495 -3.786 3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.809 -3.753 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.520 -2.461 3.274 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.581 -2.075 5.010 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.979 -4.547 5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.678 -2.900 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.647 -3.834 5.783 1.00 0.00 H new ATOM 104 N ILE A 71 1.330 -2.450 1.019 1.00 0.00 N ATOM 105 CA ILE A 71 1.560 -3.507 0.041 1.00 0.00 C ATOM 106 C ILE A 71 2.650 -4.464 0.512 1.00 0.00 C ATOM 107 O ILE A 71 3.644 -4.045 1.106 1.00 0.00 O ATOM 108 CB ILE A 71 1.958 -2.928 -1.330 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.743 -2.294 -2.011 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.558 -4.014 -2.209 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.105 -1.370 -3.153 1.00 0.00 C ATOM 0 H ILE A 71 2.108 -1.800 1.129 1.00 0.00 H new ATOM 0 HA ILE A 71 0.621 -4.052 -0.062 1.00 0.00 H new ATOM 0 HB ILE A 71 2.711 -2.155 -1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.093 -3.085 -2.386 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.171 -1.736 -1.270 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.834 -3.590 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.445 -4.424 -1.726 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.826 -4.808 -2.358 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.195 -0.957 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.730 -0.559 -2.780 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.651 -1.928 -3.914 1.00 0.00 H new ATOM 123 N ARG A 72 2.458 -5.751 0.240 1.00 0.00 N ATOM 124 CA ARG A 72 3.425 -6.768 0.635 1.00 0.00 C ATOM 125 C ARG A 72 3.849 -7.610 -0.565 1.00 0.00 C ATOM 126 O ARG A 72 3.011 -8.073 -1.338 1.00 0.00 O ATOM 127 CB ARG A 72 2.834 -7.669 1.721 1.00 0.00 C ATOM 128 CG ARG A 72 2.701 -6.986 3.073 1.00 0.00 C ATOM 129 CD ARG A 72 2.599 -8.000 4.201 1.00 0.00 C ATOM 130 NE ARG A 72 3.886 -8.624 4.495 1.00 0.00 N ATOM 131 CZ ARG A 72 4.898 -7.984 5.070 1.00 0.00 C ATOM 132 NH1 ARG A 72 4.773 -6.709 5.411 1.00 0.00 N ATOM 133 NH2 ARG A 72 6.039 -8.620 5.304 1.00 0.00 N ATOM 0 H ARG A 72 1.642 -6.114 -0.252 1.00 0.00 H new ATOM 0 HA ARG A 72 4.306 -6.262 1.031 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.851 -8.015 1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.463 -8.553 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.562 -6.338 3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.817 -6.348 3.074 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.222 -7.508 5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.876 -8.770 3.932 1.00 0.00 H new ATOM 0 HE ARG A 72 4.015 -9.605 4.245 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.898 -6.217 5.232 1.00 0.00 H new ATOM 0 HH12 ARG A 72 5.552 -6.220 5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.139 -9.601 5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.816 -8.128 5.746 1.00 0.00 H new ATOM 147 N GLY A 73 5.156 -7.803 -0.714 1.00 0.00 N ATOM 148 CA GLY A 73 5.668 -8.588 -1.821 1.00 0.00 C ATOM 149 C GLY A 73 5.936 -7.747 -3.053 1.00 0.00 C ATOM 150 O GLY A 73 5.134 -7.729 -3.988 1.00 0.00 O ATOM 0 H GLY A 73 5.869 -7.430 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.590 -9.083 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.952 -9.372 -2.069 1.00 0.00 H new ATOM 154 N LEU A 74 7.065 -7.047 -3.056 1.00 0.00 N ATOM 155 CA LEU A 74 7.436 -6.197 -4.182 1.00 0.00 C ATOM 156 C LEU A 74 8.544 -6.842 -5.008 1.00 0.00 C ATOM 157 O LEU A 74 9.363 -7.610 -4.502 1.00 0.00 O ATOM 158 CB LEU A 74 7.889 -4.824 -3.683 1.00 0.00 C ATOM 159 CG LEU A 74 6.849 -4.016 -2.905 1.00 0.00 C ATOM 160 CD1 LEU A 74 7.503 -2.830 -2.214 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.735 -3.549 -3.830 1.00 0.00 C ATOM 0 H LEU A 74 7.740 -7.051 -2.291 1.00 0.00 H new ATOM 0 HA LEU A 74 6.559 -6.074 -4.817 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.763 -4.961 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.209 -4.235 -4.542 1.00 0.00 H new ATOM 0 HG LEU A 74 6.413 -4.660 -2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.748 -2.267 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 74 8.264 -3.187 -1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.966 -2.184 -2.960 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.004 -2.976 -3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.154 -2.921 -4.616 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.247 -4.415 -4.278 1.00 0.00 H new ATOM 173 N PRO A 75 8.574 -6.522 -6.311 1.00 0.00 N ATOM 174 CA PRO A 75 9.579 -7.057 -7.234 1.00 0.00 C ATOM 175 C PRO A 75 10.971 -6.496 -6.964 1.00 0.00 C ATOM 176 O PRO A 75 11.116 -5.396 -6.434 1.00 0.00 O ATOM 177 CB PRO A 75 9.077 -6.602 -8.607 1.00 0.00 C ATOM 178 CG PRO A 75 8.259 -5.388 -8.328 1.00 0.00 C ATOM 179 CD PRO A 75 7.629 -5.613 -6.982 1.00 0.00 C ATOM 0 HA PRO A 75 9.685 -8.138 -7.140 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.907 -6.375 -9.277 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.482 -7.378 -9.088 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.880 -4.492 -8.323 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.499 -5.245 -9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.511 -4.679 -6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.638 -6.058 -7.071 1.00 0.00 H new ATOM 187 N GLY A 76 11.994 -7.262 -7.333 1.00 0.00 N ATOM 188 CA GLY A 76 13.362 -6.824 -7.122 1.00 0.00 C ATOM 189 C GLY A 76 13.696 -5.571 -7.906 1.00 0.00 C ATOM 190 O GLY A 76 14.778 -5.003 -7.750 1.00 0.00 O ATOM 0 H GLY A 76 11.900 -8.177 -7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.521 -6.638 -6.060 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.045 -7.623 -7.411 1.00 0.00 H new ATOM 194 N ASP A 77 12.768 -5.138 -8.752 1.00 0.00 N ATOM 195 CA ASP A 77 12.970 -3.944 -9.564 1.00 0.00 C ATOM 196 C ASP A 77 11.933 -2.877 -9.229 1.00 0.00 C ATOM 197 O ASP A 77 11.700 -1.956 -10.011 1.00 0.00 O ATOM 198 CB ASP A 77 12.897 -4.294 -11.051 1.00 0.00 C ATOM 199 CG ASP A 77 14.212 -4.828 -11.586 1.00 0.00 C ATOM 200 OD1 ASP A 77 15.273 -4.416 -11.071 1.00 0.00 O ATOM 201 OD2 ASP A 77 14.180 -5.659 -12.517 1.00 0.00 O ATOM 0 H ASP A 77 11.868 -5.596 -8.893 1.00 0.00 H new ATOM 0 HA ASP A 77 13.960 -3.546 -9.340 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.116 -5.037 -11.208 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.612 -3.407 -11.616 1.00 0.00 H new ATOM 206 N VAL A 78 11.313 -3.008 -8.060 1.00 0.00 N ATOM 207 CA VAL A 78 10.300 -2.055 -7.621 1.00 0.00 C ATOM 208 C VAL A 78 10.921 -0.696 -7.316 1.00 0.00 C ATOM 209 O VAL A 78 11.762 -0.571 -6.425 1.00 0.00 O ATOM 210 CB VAL A 78 9.558 -2.562 -6.370 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.502 -2.626 -5.179 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.362 -1.674 -6.065 1.00 0.00 C ATOM 0 H VAL A 78 11.494 -3.764 -7.400 1.00 0.00 H new ATOM 0 HA VAL A 78 9.587 -1.950 -8.439 1.00 0.00 H new ATOM 0 HB VAL A 78 9.193 -3.570 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.960 -2.986 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.324 -3.306 -5.402 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.899 -1.631 -4.976 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.849 -2.046 -5.178 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.702 -0.654 -5.886 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.676 -1.684 -6.912 1.00 0.00 H new ATOM 222 N THR A 79 10.500 0.321 -8.061 1.00 0.00 N ATOM 223 CA THR A 79 11.014 1.672 -7.871 1.00 0.00 C ATOM 224 C THR A 79 9.896 2.637 -7.493 1.00 0.00 C ATOM 225 O THR A 79 8.716 2.318 -7.627 1.00 0.00 O ATOM 226 CB THR A 79 11.717 2.189 -9.140 1.00 0.00 C ATOM 227 OG1 THR A 79 12.269 3.488 -8.899 1.00 0.00 O ATOM 228 CG2 THR A 79 10.745 2.254 -10.308 1.00 0.00 C ATOM 0 H THR A 79 9.804 0.235 -8.802 1.00 0.00 H new ATOM 0 HA THR A 79 11.738 1.624 -7.058 1.00 0.00 H new ATOM 0 HB THR A 79 12.519 1.495 -9.393 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.716 3.809 -9.710 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.264 2.622 -11.193 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.349 1.258 -10.507 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.925 2.928 -10.062 1.00 0.00 H new ATOM 236 N ASN A 80 10.277 3.820 -7.020 1.00 0.00 N ATOM 237 CA ASN A 80 9.305 4.832 -6.623 1.00 0.00 C ATOM 238 C ASN A 80 8.381 5.184 -7.784 1.00 0.00 C ATOM 239 O ASN A 80 7.188 5.417 -7.591 1.00 0.00 O ATOM 240 CB ASN A 80 10.022 6.090 -6.128 1.00 0.00 C ATOM 241 CG ASN A 80 10.380 7.035 -7.260 1.00 0.00 C ATOM 242 OD1 ASN A 80 9.528 7.764 -7.767 1.00 0.00 O ATOM 243 ND2 ASN A 80 11.646 7.025 -7.661 1.00 0.00 N ATOM 0 H ASN A 80 11.251 4.101 -6.903 1.00 0.00 H new ATOM 0 HA ASN A 80 8.701 4.423 -5.813 1.00 0.00 H new ATOM 0 HB2 ASN A 80 9.385 6.610 -5.412 1.00 0.00 H new ATOM 0 HB3 ASN A 80 10.930 5.803 -5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.946 7.639 -8.419 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.318 6.404 -7.211 1.00 0.00 H new ATOM 250 N GLN A 81 8.940 5.220 -8.989 1.00 0.00 N ATOM 251 CA GLN A 81 8.166 5.544 -10.182 1.00 0.00 C ATOM 252 C GLN A 81 7.021 4.554 -10.372 1.00 0.00 C ATOM 253 O GLN A 81 5.922 4.933 -10.775 1.00 0.00 O ATOM 254 CB GLN A 81 9.067 5.543 -11.417 1.00 0.00 C ATOM 255 CG GLN A 81 8.441 6.217 -12.627 1.00 0.00 C ATOM 256 CD GLN A 81 8.632 7.721 -12.621 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.635 8.234 -13.119 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.667 8.438 -12.056 1.00 0.00 N ATOM 0 H GLN A 81 9.926 5.029 -9.165 1.00 0.00 H new ATOM 0 HA GLN A 81 7.744 6.540 -10.051 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.003 6.047 -11.174 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.317 4.513 -11.674 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.878 5.803 -13.536 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.375 5.990 -12.654 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.853 7.972 -11.655 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.740 9.455 -12.023 1.00 0.00 H new ATOM 267 N GLU A 82 7.288 3.285 -10.080 1.00 0.00 N ATOM 268 CA GLU A 82 6.280 2.241 -10.221 1.00 0.00 C ATOM 269 C GLU A 82 5.116 2.476 -9.263 1.00 0.00 C ATOM 270 O GLU A 82 3.950 2.368 -9.645 1.00 0.00 O ATOM 271 CB GLU A 82 6.898 0.865 -9.962 1.00 0.00 C ATOM 272 CG GLU A 82 5.958 -0.291 -10.260 1.00 0.00 C ATOM 273 CD GLU A 82 5.712 -0.475 -11.745 1.00 0.00 C ATOM 274 OE1 GLU A 82 4.840 0.231 -12.294 1.00 0.00 O ATOM 275 OE2 GLU A 82 6.390 -1.325 -12.358 1.00 0.00 O ATOM 0 H GLU A 82 8.193 2.955 -9.745 1.00 0.00 H new ATOM 0 HA GLU A 82 5.900 2.274 -11.242 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.795 0.759 -10.571 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.212 0.807 -8.920 1.00 0.00 H new ATOM 0 HG2 GLU A 82 6.376 -1.210 -9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.007 -0.120 -9.756 1.00 0.00 H new ATOM 282 N VAL A 83 5.440 2.797 -8.014 1.00 0.00 N ATOM 283 CA VAL A 83 4.423 3.048 -7.001 1.00 0.00 C ATOM 284 C VAL A 83 3.681 4.351 -7.277 1.00 0.00 C ATOM 285 O VAL A 83 2.465 4.434 -7.105 1.00 0.00 O ATOM 286 CB VAL A 83 5.039 3.110 -5.590 1.00 0.00 C ATOM 287 CG1 VAL A 83 3.977 3.456 -4.558 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.718 1.792 -5.248 1.00 0.00 C ATOM 0 H VAL A 83 6.399 2.889 -7.680 1.00 0.00 H new ATOM 0 HA VAL A 83 3.720 2.216 -7.047 1.00 0.00 H new ATOM 0 HB VAL A 83 5.794 3.896 -5.576 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.431 3.495 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.541 4.426 -4.796 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.197 2.695 -4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.148 1.853 -4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.985 0.986 -5.279 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.509 1.592 -5.971 1.00 0.00 H new ATOM 298 N HIS A 84 4.422 5.367 -7.706 1.00 0.00 N ATOM 299 CA HIS A 84 3.834 6.668 -8.008 1.00 0.00 C ATOM 300 C HIS A 84 2.891 6.574 -9.204 1.00 0.00 C ATOM 301 O HIS A 84 1.766 7.073 -9.160 1.00 0.00 O ATOM 302 CB HIS A 84 4.932 7.694 -8.290 1.00 0.00 C ATOM 303 CG HIS A 84 5.399 8.423 -7.067 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.976 9.694 -6.742 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.256 8.051 -6.088 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.554 10.073 -5.616 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.335 9.094 -5.198 1.00 0.00 N ATOM 0 H HIS A 84 5.430 5.315 -7.852 1.00 0.00 H new ATOM 0 HA HIS A 84 3.260 6.990 -7.139 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.782 7.188 -8.748 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.563 8.418 -9.016 1.00 0.00 H new ATOM 0 HD1 HIS A 84 4.320 10.254 -7.286 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.780 7.109 -6.019 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.412 11.023 -5.121 1.00 0.00 H new ATOM 316 N ASP A 85 3.357 5.931 -10.269 1.00 0.00 N ATOM 317 CA ASP A 85 2.554 5.771 -11.476 1.00 0.00 C ATOM 318 C ASP A 85 1.319 4.920 -11.199 1.00 0.00 C ATOM 319 O ASP A 85 0.272 5.106 -11.820 1.00 0.00 O ATOM 320 CB ASP A 85 3.389 5.134 -12.588 1.00 0.00 C ATOM 321 CG ASP A 85 2.835 5.428 -13.969 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.273 6.526 -14.162 1.00 0.00 O ATOM 323 OD2 ASP A 85 2.964 4.559 -14.856 1.00 0.00 O ATOM 0 H ASP A 85 4.286 5.512 -10.321 1.00 0.00 H new ATOM 0 HA ASP A 85 2.226 6.759 -11.798 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.413 5.501 -12.525 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.427 4.055 -12.437 1.00 0.00 H new ATOM 328 N LEU A 86 1.449 3.984 -10.265 1.00 0.00 N ATOM 329 CA LEU A 86 0.344 3.102 -9.906 1.00 0.00 C ATOM 330 C LEU A 86 -0.829 3.900 -9.345 1.00 0.00 C ATOM 331 O LEU A 86 -1.989 3.599 -9.626 1.00 0.00 O ATOM 332 CB LEU A 86 0.806 2.064 -8.882 1.00 0.00 C ATOM 333 CG LEU A 86 -0.291 1.197 -8.263 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.000 0.387 -9.338 1.00 0.00 C ATOM 335 CD2 LEU A 86 0.291 0.279 -7.198 1.00 0.00 C ATOM 0 H LEU A 86 2.309 3.816 -9.743 1.00 0.00 H new ATOM 0 HA LEU A 86 0.012 2.589 -10.809 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.532 1.408 -9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.328 2.583 -8.078 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.021 1.852 -7.789 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.777 -0.224 -8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.451 1.063 -10.065 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.280 -0.259 -9.841 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.504 -0.330 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.042 -0.370 -7.648 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.752 0.879 -6.413 1.00 0.00 H new ATOM 347 N LEU A 87 -0.518 4.920 -8.552 1.00 0.00 N ATOM 348 CA LEU A 87 -1.546 5.764 -7.953 1.00 0.00 C ATOM 349 C LEU A 87 -1.477 7.183 -8.506 1.00 0.00 C ATOM 350 O LEU A 87 -1.740 8.152 -7.793 1.00 0.00 O ATOM 351 CB LEU A 87 -1.390 5.789 -6.431 1.00 0.00 C ATOM 352 CG LEU A 87 -1.992 4.604 -5.675 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.377 4.487 -4.289 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.505 4.746 -5.579 1.00 0.00 C ATOM 0 H LEU A 87 0.437 5.182 -8.309 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.519 5.343 -8.206 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.327 5.842 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.846 6.704 -6.054 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.767 3.692 -6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.818 3.638 -3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.301 4.338 -4.380 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.571 5.400 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.917 3.894 -5.038 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.751 5.666 -5.049 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.932 4.780 -6.581 1.00 0.00 H new ATOM 366 N SER A 88 -1.123 7.299 -9.782 1.00 0.00 N ATOM 367 CA SER A 88 -1.017 8.600 -10.431 1.00 0.00 C ATOM 368 C SER A 88 -2.393 9.113 -10.846 1.00 0.00 C ATOM 369 O SER A 88 -2.506 10.103 -11.569 1.00 0.00 O ATOM 370 CB SER A 88 -0.103 8.511 -11.655 1.00 0.00 C ATOM 371 OG SER A 88 1.245 8.772 -11.304 1.00 0.00 O ATOM 0 H SER A 88 -0.905 6.507 -10.387 1.00 0.00 H new ATOM 0 HA SER A 88 -0.587 9.301 -9.716 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.181 7.519 -12.100 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.430 9.225 -12.410 1.00 0.00 H new ATOM 0 HG SER A 88 1.477 8.265 -10.498 1.00 0.00 H new ATOM 377 N ASP A 89 -3.435 8.433 -10.384 1.00 0.00 N ATOM 378 CA ASP A 89 -4.804 8.819 -10.705 1.00 0.00 C ATOM 379 C ASP A 89 -5.425 9.619 -9.565 1.00 0.00 C ATOM 380 O ASP A 89 -6.371 10.381 -9.770 1.00 0.00 O ATOM 381 CB ASP A 89 -5.652 7.579 -10.995 1.00 0.00 C ATOM 382 CG ASP A 89 -5.433 7.043 -12.396 1.00 0.00 C ATOM 383 OD1 ASP A 89 -5.462 7.847 -13.350 1.00 0.00 O ATOM 384 OD2 ASP A 89 -5.233 5.818 -12.538 1.00 0.00 O ATOM 0 H ASP A 89 -3.358 7.611 -9.785 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.778 9.448 -11.595 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.413 6.801 -10.270 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.706 7.824 -10.863 1.00 0.00 H new ATOM 389 N TYR A 90 -4.888 9.442 -8.363 1.00 0.00 N ATOM 390 CA TYR A 90 -5.391 10.144 -7.189 1.00 0.00 C ATOM 391 C TYR A 90 -4.356 11.133 -6.661 1.00 0.00 C ATOM 392 O TYR A 90 -3.252 11.236 -7.194 1.00 0.00 O ATOM 393 CB TYR A 90 -5.765 9.146 -6.092 1.00 0.00 C ATOM 394 CG TYR A 90 -6.525 7.942 -6.602 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.857 6.858 -7.157 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.911 7.889 -6.528 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.547 5.757 -7.625 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.610 6.791 -6.992 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.923 5.728 -7.540 1.00 0.00 C ATOM 400 OH TYR A 90 -8.615 4.632 -8.004 1.00 0.00 O ATOM 0 H TYR A 90 -4.103 8.817 -8.176 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.281 10.700 -7.484 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.856 8.807 -5.595 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.369 9.655 -5.340 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.779 6.876 -7.224 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.452 8.720 -6.100 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -6.012 4.923 -8.055 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.688 6.765 -6.926 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.576 4.770 -7.869 1.00 0.00 H new ATOM 410 N GLU A 91 -4.723 11.859 -5.609 1.00 0.00 N ATOM 411 CA GLU A 91 -3.827 12.840 -5.008 1.00 0.00 C ATOM 412 C GLU A 91 -2.842 12.166 -4.057 1.00 0.00 C ATOM 413 O GLU A 91 -3.212 11.735 -2.964 1.00 0.00 O ATOM 414 CB GLU A 91 -4.630 13.904 -4.258 1.00 0.00 C ATOM 415 CG GLU A 91 -5.021 15.093 -5.120 1.00 0.00 C ATOM 416 CD GLU A 91 -3.850 16.011 -5.412 1.00 0.00 C ATOM 417 OE1 GLU A 91 -2.969 15.617 -6.204 1.00 0.00 O ATOM 418 OE2 GLU A 91 -3.815 17.125 -4.848 1.00 0.00 O ATOM 0 H GLU A 91 -5.634 11.786 -5.156 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.263 13.318 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.533 13.447 -3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -4.044 14.258 -3.410 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.440 14.734 -6.060 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.805 15.659 -4.618 1.00 0.00 H new ATOM 425 N LEU A 92 -1.586 12.079 -4.481 1.00 0.00 N ATOM 426 CA LEU A 92 -0.546 11.458 -3.669 1.00 0.00 C ATOM 427 C LEU A 92 0.079 12.471 -2.716 1.00 0.00 C ATOM 428 O LEU A 92 1.036 13.161 -3.066 1.00 0.00 O ATOM 429 CB LEU A 92 0.535 10.851 -4.566 1.00 0.00 C ATOM 430 CG LEU A 92 0.209 9.490 -5.183 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.246 9.117 -6.231 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.131 8.420 -4.103 1.00 0.00 C ATOM 0 H LEU A 92 -1.263 12.431 -5.382 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.006 10.666 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.745 11.553 -5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.450 10.753 -3.982 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.763 9.557 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.998 8.146 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.254 9.870 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.231 9.068 -5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.102 7.458 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.088 8.354 -3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.650 8.681 -3.388 1.00 0.00 H new ATOM 444 N LYS A 93 -0.469 12.554 -1.508 1.00 0.00 N ATOM 445 CA LYS A 93 0.036 13.480 -0.501 1.00 0.00 C ATOM 446 C LYS A 93 1.417 13.055 -0.013 1.00 0.00 C ATOM 447 O LYS A 93 2.283 13.894 0.237 1.00 0.00 O ATOM 448 CB LYS A 93 -0.932 13.557 0.682 1.00 0.00 C ATOM 449 CG LYS A 93 -2.083 14.524 0.464 1.00 0.00 C ATOM 450 CD LYS A 93 -1.605 15.967 0.456 1.00 0.00 C ATOM 451 CE LYS A 93 -2.773 16.941 0.499 1.00 0.00 C ATOM 452 NZ LYS A 93 -3.303 17.232 -0.861 1.00 0.00 N ATOM 0 H LYS A 93 -1.263 11.991 -1.203 1.00 0.00 H new ATOM 0 HA LYS A 93 0.120 14.465 -0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.335 12.563 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.380 13.857 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.576 14.298 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.826 14.390 1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.953 16.140 1.312 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.010 16.150 -0.439 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.569 16.526 1.118 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -2.454 17.870 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.097 17.899 -0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.551 17.651 -1.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.632 16.349 -1.302 1.00 0.00 H new ATOM 466 N TYR A 94 1.617 11.748 0.117 1.00 0.00 N ATOM 467 CA TYR A 94 2.893 11.212 0.575 1.00 0.00 C ATOM 468 C TYR A 94 3.129 9.814 0.013 1.00 0.00 C ATOM 469 O TYR A 94 2.251 8.953 0.070 1.00 0.00 O ATOM 470 CB TYR A 94 2.935 11.173 2.104 1.00 0.00 C ATOM 471 CG TYR A 94 4.107 10.395 2.658 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.399 10.632 2.206 1.00 0.00 C ATOM 473 CD2 TYR A 94 3.922 9.423 3.633 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.473 9.923 2.709 1.00 0.00 C ATOM 475 CE2 TYR A 94 4.990 8.710 4.143 1.00 0.00 C ATOM 476 CZ TYR A 94 6.263 8.964 3.677 1.00 0.00 C ATOM 477 OH TYR A 94 7.330 8.255 4.181 1.00 0.00 O ATOM 0 H TYR A 94 0.912 11.040 -0.088 1.00 0.00 H new ATOM 0 HA TYR A 94 3.685 11.868 0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.975 12.194 2.484 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.009 10.731 2.473 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.567 11.383 1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.926 9.221 3.999 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.471 10.119 2.346 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.829 7.959 4.902 1.00 0.00 H new ATOM 0 HH TYR A 94 7.031 7.362 4.451 1.00 0.00 H new ATOM 487 N CYS A 95 4.322 9.595 -0.528 1.00 0.00 N ATOM 488 CA CYS A 95 4.677 8.301 -1.102 1.00 0.00 C ATOM 489 C CYS A 95 5.969 7.771 -0.489 1.00 0.00 C ATOM 490 O CYS A 95 6.977 8.476 -0.434 1.00 0.00 O ATOM 491 CB CYS A 95 4.826 8.416 -2.619 1.00 0.00 C ATOM 492 SG CYS A 95 5.539 6.952 -3.404 1.00 0.00 S ATOM 0 H CYS A 95 5.060 10.297 -0.582 1.00 0.00 H new ATOM 0 HA CYS A 95 3.875 7.598 -0.877 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.846 8.608 -3.056 1.00 0.00 H new ATOM 0 HB3 CYS A 95 5.452 9.279 -2.847 1.00 0.00 H new ATOM 0 HG CYS A 95 4.806 6.604 -4.420 1.00 0.00 H new ATOM 498 N PHE A 96 5.932 6.525 -0.030 1.00 0.00 N ATOM 499 CA PHE A 96 7.099 5.900 0.581 1.00 0.00 C ATOM 500 C PHE A 96 7.315 4.494 0.029 1.00 0.00 C ATOM 501 O PHE A 96 6.380 3.698 -0.057 1.00 0.00 O ATOM 502 CB PHE A 96 6.937 5.844 2.102 1.00 0.00 C ATOM 503 CG PHE A 96 8.099 5.204 2.806 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.379 5.718 2.666 1.00 0.00 C ATOM 505 CD2 PHE A 96 7.913 4.090 3.607 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.450 5.131 3.312 1.00 0.00 C ATOM 507 CE2 PHE A 96 8.981 3.498 4.256 1.00 0.00 C ATOM 508 CZ PHE A 96 10.251 4.020 4.109 1.00 0.00 C ATOM 0 H PHE A 96 5.106 5.928 -0.070 1.00 0.00 H new ATOM 0 HA PHE A 96 7.973 6.505 0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.805 6.857 2.483 1.00 0.00 H new ATOM 0 HB3 PHE A 96 6.028 5.292 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.541 6.587 2.045 1.00 0.00 H new ATOM 0 HD2 PHE A 96 6.922 3.678 3.726 1.00 0.00 H new ATOM 0 HE1 PHE A 96 11.442 5.540 3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 96 8.822 2.629 4.877 1.00 0.00 H new ATOM 0 HZ PHE A 96 11.087 3.561 4.616 1.00 0.00 H new ATOM 518 N VAL A 97 8.556 4.196 -0.344 1.00 0.00 N ATOM 519 CA VAL A 97 8.896 2.886 -0.888 1.00 0.00 C ATOM 520 C VAL A 97 10.025 2.238 -0.094 1.00 0.00 C ATOM 521 O VAL A 97 11.131 2.774 -0.018 1.00 0.00 O ATOM 522 CB VAL A 97 9.314 2.984 -2.367 1.00 0.00 C ATOM 523 CG1 VAL A 97 10.058 1.728 -2.796 1.00 0.00 C ATOM 524 CG2 VAL A 97 8.097 3.220 -3.249 1.00 0.00 C ATOM 0 H VAL A 97 9.342 4.843 -0.280 1.00 0.00 H new ATOM 0 HA VAL A 97 8.001 2.269 -0.811 1.00 0.00 H new ATOM 0 HB VAL A 97 9.988 3.833 -2.481 1.00 0.00 H new ATOM 0 HG11 VAL A 97 10.345 1.815 -3.844 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.952 1.607 -2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 97 9.411 0.860 -2.668 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.410 3.287 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.397 2.392 -3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.610 4.150 -2.956 1.00 0.00 H new ATOM 534 N ASP A 98 9.739 1.082 0.495 1.00 0.00 N ATOM 535 CA ASP A 98 10.731 0.359 1.282 1.00 0.00 C ATOM 536 C ASP A 98 11.060 -0.984 0.640 1.00 0.00 C ATOM 537 O ASP A 98 10.295 -1.942 0.751 1.00 0.00 O ATOM 538 CB ASP A 98 10.223 0.145 2.709 1.00 0.00 C ATOM 539 CG ASP A 98 11.199 -0.644 3.559 1.00 0.00 C ATOM 540 OD1 ASP A 98 12.007 -1.402 2.984 1.00 0.00 O ATOM 541 OD2 ASP A 98 11.155 -0.503 4.799 1.00 0.00 O ATOM 0 H ASP A 98 8.828 0.626 0.442 1.00 0.00 H new ATOM 0 HA ASP A 98 11.641 0.959 1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.040 1.113 3.175 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.268 -0.379 2.677 1.00 0.00 H new ATOM 546 N LYS A 99 12.204 -1.047 -0.034 1.00 0.00 N ATOM 547 CA LYS A 99 12.637 -2.272 -0.695 1.00 0.00 C ATOM 548 C LYS A 99 13.126 -3.297 0.324 1.00 0.00 C ATOM 549 O LYS A 99 12.771 -4.474 0.255 1.00 0.00 O ATOM 550 CB LYS A 99 13.748 -1.968 -1.702 1.00 0.00 C ATOM 551 CG LYS A 99 15.020 -1.437 -1.062 1.00 0.00 C ATOM 552 CD LYS A 99 16.003 -0.938 -2.108 1.00 0.00 C ATOM 553 CE LYS A 99 16.923 -2.052 -2.584 1.00 0.00 C ATOM 554 NZ LYS A 99 18.133 -1.518 -3.268 1.00 0.00 N ATOM 0 H LYS A 99 12.848 -0.263 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 99 11.781 -2.691 -1.224 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.982 -2.876 -2.257 1.00 0.00 H new ATOM 0 HB3 LYS A 99 13.383 -1.238 -2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.773 -0.626 -0.377 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.486 -2.224 -0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.456 -0.529 -2.957 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.599 -0.126 -1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 99 17.226 -2.661 -1.733 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.379 -2.706 -3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 18.734 -2.308 -3.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.845 -0.958 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 18.666 -0.915 -2.610 1.00 0.00 H new ATOM 568 N TYR A 100 13.942 -2.842 1.269 1.00 0.00 N ATOM 569 CA TYR A 100 14.480 -3.719 2.301 1.00 0.00 C ATOM 570 C TYR A 100 13.440 -4.745 2.741 1.00 0.00 C ATOM 571 O TYR A 100 13.577 -5.939 2.475 1.00 0.00 O ATOM 572 CB TYR A 100 14.945 -2.898 3.506 1.00 0.00 C ATOM 573 CG TYR A 100 15.711 -1.651 3.129 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.821 -1.719 2.296 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.326 -0.404 3.607 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.525 -0.581 1.950 1.00 0.00 C ATOM 577 CE2 TYR A 100 16.023 0.738 3.265 1.00 0.00 C ATOM 578 CZ TYR A 100 17.122 0.645 2.436 1.00 0.00 C ATOM 579 OH TYR A 100 17.819 1.780 2.094 1.00 0.00 O ATOM 0 H TYR A 100 14.245 -1.871 1.341 1.00 0.00 H new ATOM 0 HA TYR A 100 15.334 -4.251 1.881 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.076 -2.615 4.099 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.574 -3.523 4.140 1.00 0.00 H new ATOM 0 HD1 TYR A 100 17.139 -2.677 1.912 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.467 -0.327 4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.386 -0.652 1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.709 1.699 3.645 1.00 0.00 H new ATOM 0 HH TYR A 100 17.404 2.559 2.519 1.00 0.00 H new ATOM 589 N LYS A 101 12.399 -4.270 3.417 1.00 0.00 N ATOM 590 CA LYS A 101 11.333 -5.143 3.893 1.00 0.00 C ATOM 591 C LYS A 101 10.535 -5.714 2.726 1.00 0.00 C ATOM 592 O LYS A 101 9.985 -6.811 2.815 1.00 0.00 O ATOM 593 CB LYS A 101 10.402 -4.377 4.836 1.00 0.00 C ATOM 594 CG LYS A 101 11.127 -3.681 5.974 1.00 0.00 C ATOM 595 CD LYS A 101 11.345 -4.616 7.152 1.00 0.00 C ATOM 596 CE LYS A 101 12.342 -4.039 8.145 1.00 0.00 C ATOM 597 NZ LYS A 101 13.747 -4.211 7.684 1.00 0.00 N ATOM 0 H LYS A 101 12.271 -3.285 3.647 1.00 0.00 H new ATOM 0 HA LYS A 101 11.790 -5.970 4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 101 9.848 -3.635 4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 101 9.670 -5.069 5.252 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.089 -3.310 5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.550 -2.815 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 101 10.395 -4.799 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 101 11.705 -5.579 6.791 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.135 -2.979 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 101 12.215 -4.526 9.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 14.396 -3.805 8.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.953 -5.224 7.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 13.876 -3.725 6.774 1.00 0.00 H new ATOM 611 N GLY A 102 10.477 -4.962 1.630 1.00 0.00 N ATOM 612 CA GLY A 102 9.744 -5.412 0.461 1.00 0.00 C ATOM 613 C GLY A 102 8.305 -4.936 0.460 1.00 0.00 C ATOM 614 O GLY A 102 7.421 -5.606 -0.076 1.00 0.00 O ATOM 0 H GLY A 102 10.924 -4.051 1.531 1.00 0.00 H new ATOM 0 HA2 GLY A 102 10.243 -5.051 -0.438 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.763 -6.501 0.421 1.00 0.00 H new ATOM 618 N THR A 103 8.066 -3.776 1.064 1.00 0.00 N ATOM 619 CA THR A 103 6.724 -3.213 1.134 1.00 0.00 C ATOM 620 C THR A 103 6.742 -1.713 0.860 1.00 0.00 C ATOM 621 O THR A 103 7.768 -1.055 1.024 1.00 0.00 O ATOM 622 CB THR A 103 6.080 -3.464 2.510 1.00 0.00 C ATOM 623 OG1 THR A 103 6.812 -2.772 3.527 1.00 0.00 O ATOM 624 CG2 THR A 103 6.044 -4.952 2.828 1.00 0.00 C ATOM 0 H THR A 103 8.785 -3.208 1.512 1.00 0.00 H new ATOM 0 HA THR A 103 6.132 -3.713 0.368 1.00 0.00 H new ATOM 0 HB THR A 103 5.057 -3.090 2.481 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.263 -2.045 3.888 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.585 -5.104 3.805 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.461 -5.472 2.068 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.060 -5.346 2.839 1.00 0.00 H new ATOM 632 N ALA A 104 5.599 -1.179 0.443 1.00 0.00 N ATOM 633 CA ALA A 104 5.483 0.244 0.149 1.00 0.00 C ATOM 634 C ALA A 104 4.294 0.860 0.879 1.00 0.00 C ATOM 635 O ALA A 104 3.211 0.277 0.926 1.00 0.00 O ATOM 636 CB ALA A 104 5.355 0.465 -1.351 1.00 0.00 C ATOM 0 H ALA A 104 4.740 -1.710 0.301 1.00 0.00 H new ATOM 0 HA ALA A 104 6.389 0.737 0.502 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.269 1.532 -1.556 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.237 0.069 -1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.467 -0.048 -1.720 1.00 0.00 H new ATOM 642 N PHE A 105 4.504 2.043 1.448 1.00 0.00 N ATOM 643 CA PHE A 105 3.450 2.738 2.178 1.00 0.00 C ATOM 644 C PHE A 105 3.171 4.105 1.560 1.00 0.00 C ATOM 645 O PHE A 105 4.076 4.923 1.401 1.00 0.00 O ATOM 646 CB PHE A 105 3.840 2.900 3.649 1.00 0.00 C ATOM 647 CG PHE A 105 4.041 1.594 4.363 1.00 0.00 C ATOM 648 CD1 PHE A 105 2.980 0.963 4.992 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.291 0.998 4.405 1.00 0.00 C ATOM 650 CE1 PHE A 105 3.163 -0.238 5.651 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.480 -0.203 5.063 1.00 0.00 C ATOM 652 CZ PHE A 105 4.414 -0.822 5.685 1.00 0.00 C ATOM 0 H PHE A 105 5.394 2.540 1.418 1.00 0.00 H new ATOM 0 HA PHE A 105 2.542 2.138 2.114 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.758 3.484 3.711 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.065 3.470 4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 105 1.999 1.415 4.967 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.127 1.477 3.918 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.328 -0.719 6.139 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.460 -0.656 5.090 1.00 0.00 H new ATOM 0 HZ PHE A 105 4.558 -1.762 6.197 1.00 0.00 H new ATOM 662 N VAL A 106 1.910 4.344 1.213 1.00 0.00 N ATOM 663 CA VAL A 106 1.510 5.612 0.613 1.00 0.00 C ATOM 664 C VAL A 106 0.286 6.190 1.315 1.00 0.00 C ATOM 665 O VAL A 106 -0.623 5.458 1.706 1.00 0.00 O ATOM 666 CB VAL A 106 1.199 5.449 -0.887 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.929 6.803 -1.526 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.342 4.736 -1.593 1.00 0.00 C ATOM 0 H VAL A 106 1.148 3.677 1.337 1.00 0.00 H new ATOM 0 HA VAL A 106 2.350 6.297 0.730 1.00 0.00 H new ATOM 0 HB VAL A 106 0.301 4.839 -0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.711 6.668 -2.586 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.075 7.272 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.807 7.440 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.106 4.629 -2.652 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.257 5.318 -1.482 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.483 3.749 -1.152 1.00 0.00 H new ATOM 678 N THR A 107 0.269 7.510 1.471 1.00 0.00 N ATOM 679 CA THR A 107 -0.842 8.188 2.126 1.00 0.00 C ATOM 680 C THR A 107 -1.675 8.976 1.121 1.00 0.00 C ATOM 681 O THR A 107 -1.167 9.873 0.447 1.00 0.00 O ATOM 682 CB THR A 107 -0.347 9.144 3.228 1.00 0.00 C ATOM 683 OG1 THR A 107 0.714 8.531 3.968 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.481 9.516 4.171 1.00 0.00 C ATOM 0 H THR A 107 1.013 8.131 1.152 1.00 0.00 H new ATOM 0 HA THR A 107 -1.461 7.414 2.579 1.00 0.00 H new ATOM 0 HB THR A 107 0.021 10.053 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.024 9.146 4.665 1.00 0.00 H new ATOM 0 HG21 THR A 107 -1.107 10.192 4.941 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.274 10.009 3.609 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.875 8.614 4.640 1.00 0.00 H new ATOM 692 N LEU A 108 -2.956 8.637 1.026 1.00 0.00 N ATOM 693 CA LEU A 108 -3.860 9.314 0.103 1.00 0.00 C ATOM 694 C LEU A 108 -4.623 10.430 0.809 1.00 0.00 C ATOM 695 O LEU A 108 -4.509 10.603 2.023 1.00 0.00 O ATOM 696 CB LEU A 108 -4.844 8.313 -0.505 1.00 0.00 C ATOM 697 CG LEU A 108 -4.370 7.586 -1.764 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.328 6.461 -2.123 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.232 8.562 -2.923 1.00 0.00 C ATOM 0 H LEU A 108 -3.392 7.897 1.577 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.262 9.756 -0.694 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.086 7.567 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.769 8.840 -0.740 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.391 7.151 -1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.975 5.955 -3.021 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.376 5.748 -1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.321 6.873 -2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.894 8.027 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.197 9.026 -3.125 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.506 9.333 -2.665 1.00 0.00 H new ATOM 711 N LEU A 109 -5.403 11.183 0.042 1.00 0.00 N ATOM 712 CA LEU A 109 -6.188 12.282 0.594 1.00 0.00 C ATOM 713 C LEU A 109 -7.141 11.781 1.675 1.00 0.00 C ATOM 714 O LEU A 109 -6.916 11.999 2.864 1.00 0.00 O ATOM 715 CB LEU A 109 -6.978 12.979 -0.515 1.00 0.00 C ATOM 716 CG LEU A 109 -8.086 13.927 -0.057 1.00 0.00 C ATOM 717 CD1 LEU A 109 -7.495 15.131 0.660 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.932 14.371 -1.241 1.00 0.00 C ATOM 0 H LEU A 109 -5.509 11.053 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.499 12.997 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -6.278 13.542 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.422 12.214 -1.152 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.729 13.393 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.298 15.795 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.934 14.796 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.829 15.666 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.716 15.045 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.302 14.887 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.385 13.499 -1.712 1.00 0.00 H new ATOM 730 N ASN A 110 -8.205 11.107 1.252 1.00 0.00 N ATOM 731 CA ASN A 110 -9.192 10.573 2.184 1.00 0.00 C ATOM 732 C ASN A 110 -9.257 9.051 2.095 1.00 0.00 C ATOM 733 O ASN A 110 -8.516 8.431 1.333 1.00 0.00 O ATOM 734 CB ASN A 110 -10.571 11.171 1.897 1.00 0.00 C ATOM 735 CG ASN A 110 -10.781 11.460 0.423 1.00 0.00 C ATOM 736 OD1 ASN A 110 -11.096 12.586 0.039 1.00 0.00 O ATOM 737 ND2 ASN A 110 -10.606 10.440 -0.410 1.00 0.00 N ATOM 0 H ASN A 110 -8.406 10.917 0.270 1.00 0.00 H new ATOM 0 HA ASN A 110 -8.887 10.848 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.342 10.482 2.243 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.689 12.093 2.466 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.733 10.573 -1.413 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.345 9.524 -0.046 1.00 0.00 H new ATOM 744 N GLY A 111 -10.150 8.455 2.879 1.00 0.00 N ATOM 745 CA GLY A 111 -10.295 7.011 2.874 1.00 0.00 C ATOM 746 C GLY A 111 -10.979 6.502 1.620 1.00 0.00 C ATOM 747 O GLY A 111 -10.922 5.311 1.315 1.00 0.00 O ATOM 0 H GLY A 111 -10.776 8.946 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.311 6.550 2.960 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.869 6.703 3.748 1.00 0.00 H new ATOM 751 N GLU A 112 -11.628 7.406 0.893 1.00 0.00 N ATOM 752 CA GLU A 112 -12.327 7.040 -0.333 1.00 0.00 C ATOM 753 C GLU A 112 -11.348 6.531 -1.387 1.00 0.00 C ATOM 754 O GLU A 112 -11.559 5.477 -1.986 1.00 0.00 O ATOM 755 CB GLU A 112 -13.104 8.239 -0.880 1.00 0.00 C ATOM 756 CG GLU A 112 -14.507 8.367 -0.310 1.00 0.00 C ATOM 757 CD GLU A 112 -15.398 7.200 -0.686 1.00 0.00 C ATOM 758 OE1 GLU A 112 -15.931 7.199 -1.815 1.00 0.00 O ATOM 759 OE2 GLU A 112 -15.562 6.287 0.150 1.00 0.00 O ATOM 0 H GLU A 112 -11.684 8.396 1.132 1.00 0.00 H new ATOM 0 HA GLU A 112 -13.027 6.239 -0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.548 9.151 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.168 8.155 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.449 8.440 0.776 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.957 9.293 -0.668 1.00 0.00 H new ATOM 766 N GLN A 113 -10.277 7.287 -1.606 1.00 0.00 N ATOM 767 CA GLN A 113 -9.266 6.913 -2.588 1.00 0.00 C ATOM 768 C GLN A 113 -8.493 5.681 -2.130 1.00 0.00 C ATOM 769 O GLN A 113 -8.075 4.860 -2.946 1.00 0.00 O ATOM 770 CB GLN A 113 -8.301 8.076 -2.826 1.00 0.00 C ATOM 771 CG GLN A 113 -8.978 9.329 -3.358 1.00 0.00 C ATOM 772 CD GLN A 113 -8.036 10.514 -3.435 1.00 0.00 C ATOM 773 OE1 GLN A 113 -6.913 10.463 -2.931 1.00 0.00 O ATOM 774 NE2 GLN A 113 -8.487 11.590 -4.069 1.00 0.00 N ATOM 0 H GLN A 113 -10.087 8.162 -1.117 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.774 6.675 -3.523 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.796 8.315 -1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.532 7.761 -3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.382 9.126 -4.350 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.822 9.582 -2.716 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.424 11.589 -4.472 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.896 12.417 -4.153 1.00 0.00 H new ATOM 783 N ALA A 114 -8.305 5.559 -0.820 1.00 0.00 N ATOM 784 CA ALA A 114 -7.583 4.426 -0.254 1.00 0.00 C ATOM 785 C ALA A 114 -8.320 3.118 -0.519 1.00 0.00 C ATOM 786 O ALA A 114 -7.716 2.127 -0.928 1.00 0.00 O ATOM 787 CB ALA A 114 -7.377 4.625 1.240 1.00 0.00 C ATOM 0 H ALA A 114 -8.643 6.231 -0.131 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.609 4.368 -0.739 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.837 3.772 1.650 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.801 5.535 1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.346 4.712 1.732 1.00 0.00 H new ATOM 793 N GLU A 115 -9.629 3.122 -0.282 1.00 0.00 N ATOM 794 CA GLU A 115 -10.447 1.934 -0.494 1.00 0.00 C ATOM 795 C GLU A 115 -10.426 1.514 -1.961 1.00 0.00 C ATOM 796 O GLU A 115 -10.276 0.334 -2.278 1.00 0.00 O ATOM 797 CB GLU A 115 -11.887 2.193 -0.047 1.00 0.00 C ATOM 798 CG GLU A 115 -12.879 1.165 -0.565 1.00 0.00 C ATOM 799 CD GLU A 115 -14.085 1.010 0.342 1.00 0.00 C ATOM 800 OE1 GLU A 115 -14.588 2.038 0.842 1.00 0.00 O ATOM 801 OE2 GLU A 115 -14.525 -0.140 0.551 1.00 0.00 O ATOM 0 H GLU A 115 -10.145 3.934 0.057 1.00 0.00 H new ATOM 0 HA GLU A 115 -10.029 1.124 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.924 2.204 1.042 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -12.192 3.183 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -13.213 1.457 -1.561 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.379 0.202 -0.666 1.00 0.00 H new ATOM 808 N ALA A 116 -10.579 2.488 -2.852 1.00 0.00 N ATOM 809 CA ALA A 116 -10.577 2.221 -4.285 1.00 0.00 C ATOM 810 C ALA A 116 -9.252 1.607 -4.726 1.00 0.00 C ATOM 811 O ALA A 116 -9.229 0.625 -5.467 1.00 0.00 O ATOM 812 CB ALA A 116 -10.852 3.500 -5.061 1.00 0.00 C ATOM 0 H ALA A 116 -10.706 3.470 -2.606 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.370 1.503 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.847 3.285 -6.130 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.826 3.897 -4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.080 4.236 -4.835 1.00 0.00 H new ATOM 818 N ALA A 117 -8.152 2.193 -4.267 1.00 0.00 N ATOM 819 CA ALA A 117 -6.824 1.702 -4.614 1.00 0.00 C ATOM 820 C ALA A 117 -6.594 0.300 -4.059 1.00 0.00 C ATOM 821 O ALA A 117 -6.051 -0.567 -4.744 1.00 0.00 O ATOM 822 CB ALA A 117 -5.757 2.657 -4.099 1.00 0.00 C ATOM 0 H ALA A 117 -8.154 3.008 -3.654 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.756 1.650 -5.701 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.770 2.278 -4.365 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.901 3.640 -4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.834 2.738 -3.015 1.00 0.00 H new ATOM 828 N ILE A 118 -7.010 0.086 -2.815 1.00 0.00 N ATOM 829 CA ILE A 118 -6.849 -1.211 -2.169 1.00 0.00 C ATOM 830 C ILE A 118 -7.736 -2.265 -2.824 1.00 0.00 C ATOM 831 O ILE A 118 -7.323 -3.409 -3.010 1.00 0.00 O ATOM 832 CB ILE A 118 -7.183 -1.137 -0.668 1.00 0.00 C ATOM 833 CG1 ILE A 118 -6.176 -0.242 0.057 1.00 0.00 C ATOM 834 CG2 ILE A 118 -7.195 -2.531 -0.059 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.670 0.264 1.395 1.00 0.00 C ATOM 0 H ILE A 118 -7.461 0.794 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.803 -1.495 -2.287 1.00 0.00 H new ATOM 0 HB ILE A 118 -8.176 -0.703 -0.553 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -5.250 -0.798 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.936 0.610 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.433 -2.462 1.003 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.947 -3.141 -0.560 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -6.214 -2.990 -0.182 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.905 0.892 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.579 0.848 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.883 -0.582 2.048 1.00 0.00 H new ATOM 847 N ASN A 119 -8.956 -1.870 -3.174 1.00 0.00 N ATOM 848 CA ASN A 119 -9.901 -2.780 -3.810 1.00 0.00 C ATOM 849 C ASN A 119 -9.311 -3.372 -5.086 1.00 0.00 C ATOM 850 O ASN A 119 -9.381 -4.580 -5.315 1.00 0.00 O ATOM 851 CB ASN A 119 -11.207 -2.050 -4.129 1.00 0.00 C ATOM 852 CG ASN A 119 -12.409 -2.974 -4.092 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.287 -4.179 -4.312 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.579 -2.412 -3.811 1.00 0.00 N ATOM 0 H ASN A 119 -9.313 -0.926 -3.028 1.00 0.00 H new ATOM 0 HA ASN A 119 -10.108 -3.594 -3.115 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.352 -1.241 -3.413 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.133 -1.593 -5.116 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.423 -2.984 -3.771 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.634 -1.409 -3.635 1.00 0.00 H new ATOM 861 N THR A 120 -8.728 -2.513 -5.916 1.00 0.00 N ATOM 862 CA THR A 120 -8.126 -2.950 -7.170 1.00 0.00 C ATOM 863 C THR A 120 -6.757 -3.578 -6.933 1.00 0.00 C ATOM 864 O THR A 120 -6.467 -4.665 -7.433 1.00 0.00 O ATOM 865 CB THR A 120 -7.976 -1.779 -8.159 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.255 -1.191 -8.420 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.352 -2.250 -9.465 1.00 0.00 C ATOM 0 H THR A 120 -8.660 -1.510 -5.743 1.00 0.00 H new ATOM 0 HA THR A 120 -8.796 -3.695 -7.599 1.00 0.00 H new ATOM 0 HB THR A 120 -7.320 -1.034 -7.709 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.151 -0.446 -9.048 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.256 -1.406 -10.148 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.366 -2.670 -9.266 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.987 -3.012 -9.917 1.00 0.00 H new ATOM 875 N PHE A 121 -5.919 -2.888 -6.166 1.00 0.00 N ATOM 876 CA PHE A 121 -4.580 -3.380 -5.863 1.00 0.00 C ATOM 877 C PHE A 121 -4.644 -4.717 -5.132 1.00 0.00 C ATOM 878 O PHE A 121 -3.734 -5.540 -5.239 1.00 0.00 O ATOM 879 CB PHE A 121 -3.819 -2.358 -5.015 1.00 0.00 C ATOM 880 CG PHE A 121 -3.660 -1.023 -5.684 1.00 0.00 C ATOM 881 CD1 PHE A 121 -4.033 -0.848 -7.007 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.139 0.057 -4.990 1.00 0.00 C ATOM 883 CE1 PHE A 121 -3.887 0.380 -7.626 1.00 0.00 C ATOM 884 CE2 PHE A 121 -2.992 1.287 -5.603 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.367 1.449 -6.922 1.00 0.00 C ATOM 0 H PHE A 121 -6.143 -1.987 -5.743 1.00 0.00 H new ATOM 0 HA PHE A 121 -4.052 -3.527 -6.805 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.343 -2.221 -4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.832 -2.757 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.442 -1.680 -7.561 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -2.844 -0.064 -3.958 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.179 0.503 -8.658 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -2.584 2.121 -5.051 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.254 2.410 -7.402 1.00 0.00 H new ATOM 895 N HIS A 122 -5.726 -4.928 -4.389 1.00 0.00 N ATOM 896 CA HIS A 122 -5.910 -6.166 -3.640 1.00 0.00 C ATOM 897 C HIS A 122 -6.193 -7.333 -4.580 1.00 0.00 C ATOM 898 O HIS A 122 -6.579 -7.134 -5.732 1.00 0.00 O ATOM 899 CB HIS A 122 -7.054 -6.014 -2.636 1.00 0.00 C ATOM 900 CG HIS A 122 -7.514 -7.314 -2.052 1.00 0.00 C ATOM 901 ND1 HIS A 122 -6.711 -8.113 -1.267 1.00 0.00 N ATOM 902 CD2 HIS A 122 -8.704 -7.953 -2.142 1.00 0.00 C ATOM 903 CE1 HIS A 122 -7.386 -9.187 -0.900 1.00 0.00 C ATOM 904 NE2 HIS A 122 -8.599 -9.114 -1.417 1.00 0.00 N ATOM 0 H HIS A 122 -6.488 -4.258 -4.290 1.00 0.00 H new ATOM 0 HA HIS A 122 -4.987 -6.375 -3.099 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.733 -5.356 -1.829 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.896 -5.528 -3.128 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -9.574 -7.613 -2.684 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -7.010 -9.989 -0.282 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -9.338 -9.807 -1.297 1.00 0.00 H new ATOM 913 N GLN A 123 -5.999 -8.549 -4.081 1.00 0.00 N ATOM 914 CA GLN A 123 -6.232 -9.748 -4.878 1.00 0.00 C ATOM 915 C GLN A 123 -5.609 -9.610 -6.263 1.00 0.00 C ATOM 916 O GLN A 123 -6.058 -10.239 -7.222 1.00 0.00 O ATOM 917 CB GLN A 123 -7.733 -10.017 -5.005 1.00 0.00 C ATOM 918 CG GLN A 123 -8.459 -9.011 -5.883 1.00 0.00 C ATOM 919 CD GLN A 123 -9.843 -9.481 -6.286 1.00 0.00 C ATOM 920 OE1 GLN A 123 -10.000 -10.232 -7.249 1.00 0.00 O ATOM 921 NE2 GLN A 123 -10.856 -9.041 -5.550 1.00 0.00 N ATOM 0 H GLN A 123 -5.681 -8.730 -3.129 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.761 -10.589 -4.370 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.881 -11.017 -5.413 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -8.181 -10.009 -4.011 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -8.542 -8.063 -5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -7.868 -8.823 -6.779 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -10.681 -8.420 -4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -11.810 -9.324 -5.774 1.00 0.00 H new ATOM 930 N SER A 124 -4.573 -8.784 -6.362 1.00 0.00 N ATOM 931 CA SER A 124 -3.891 -8.560 -7.631 1.00 0.00 C ATOM 932 C SER A 124 -2.627 -9.410 -7.725 1.00 0.00 C ATOM 933 O SER A 124 -2.192 -10.006 -6.740 1.00 0.00 O ATOM 934 CB SER A 124 -3.538 -7.080 -7.791 1.00 0.00 C ATOM 935 OG SER A 124 -2.450 -6.723 -6.956 1.00 0.00 O ATOM 0 H SER A 124 -4.187 -8.258 -5.578 1.00 0.00 H new ATOM 0 HA SER A 124 -4.566 -8.853 -8.435 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.286 -6.873 -8.831 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.405 -6.467 -7.546 1.00 0.00 H new ATOM 0 HG SER A 124 -2.740 -6.042 -6.314 1.00 0.00 H new ATOM 941 N ARG A 125 -2.044 -9.459 -8.918 1.00 0.00 N ATOM 942 CA ARG A 125 -0.830 -10.236 -9.143 1.00 0.00 C ATOM 943 C ARG A 125 0.157 -9.463 -10.012 1.00 0.00 C ATOM 944 O ARG A 125 -0.238 -8.627 -10.826 1.00 0.00 O ATOM 945 CB ARG A 125 -1.171 -11.573 -9.806 1.00 0.00 C ATOM 946 CG ARG A 125 -1.811 -12.576 -8.860 1.00 0.00 C ATOM 947 CD ARG A 125 -1.994 -13.931 -9.525 1.00 0.00 C ATOM 948 NE ARG A 125 -3.037 -13.901 -10.547 1.00 0.00 N ATOM 949 CZ ARG A 125 -4.334 -13.826 -10.272 1.00 0.00 C ATOM 950 NH1 ARG A 125 -4.746 -13.772 -9.013 1.00 0.00 N ATOM 951 NH2 ARG A 125 -5.223 -13.804 -11.257 1.00 0.00 N ATOM 0 H ARG A 125 -2.392 -8.971 -9.743 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.365 -10.425 -8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.847 -11.392 -10.642 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.261 -12.006 -10.220 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.190 -12.687 -7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -2.778 -12.199 -8.528 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.052 -14.244 -9.977 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.248 -14.675 -8.770 1.00 0.00 H new ATOM 0 HE ARG A 125 -2.754 -13.940 -11.526 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -4.066 -13.788 -8.253 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -5.743 -13.714 -8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.910 -13.845 -12.227 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -6.219 -13.746 -11.044 1.00 0.00 H new ATOM 965 N LEU A 126 1.443 -9.747 -9.833 1.00 0.00 N ATOM 966 CA LEU A 126 2.488 -9.078 -10.600 1.00 0.00 C ATOM 967 C LEU A 126 3.626 -10.040 -10.924 1.00 0.00 C ATOM 968 O LEU A 126 3.988 -10.887 -10.107 1.00 0.00 O ATOM 969 CB LEU A 126 3.027 -7.875 -9.823 1.00 0.00 C ATOM 970 CG LEU A 126 4.377 -7.328 -10.287 1.00 0.00 C ATOM 971 CD1 LEU A 126 4.242 -6.652 -11.643 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.941 -6.357 -9.259 1.00 0.00 C ATOM 0 H LEU A 126 1.787 -10.436 -9.164 1.00 0.00 H new ATOM 0 HA LEU A 126 2.052 -8.732 -11.537 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.293 -7.072 -9.881 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.112 -8.154 -8.773 1.00 0.00 H new ATOM 0 HG LEU A 126 5.070 -8.163 -10.388 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.213 -6.269 -11.957 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.883 -7.375 -12.376 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.533 -5.827 -11.569 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.902 -5.978 -9.606 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.249 -5.525 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.076 -6.872 -8.308 1.00 0.00 H new ATOM 984 N ARG A 127 4.187 -9.903 -12.121 1.00 0.00 N ATOM 985 CA ARG A 127 5.285 -10.759 -12.553 1.00 0.00 C ATOM 986 C ARG A 127 5.072 -12.195 -12.083 1.00 0.00 C ATOM 987 O ARG A 127 6.017 -12.874 -11.684 1.00 0.00 O ATOM 988 CB ARG A 127 6.616 -10.228 -12.017 1.00 0.00 C ATOM 989 CG ARG A 127 7.051 -8.920 -12.657 1.00 0.00 C ATOM 990 CD ARG A 127 7.679 -9.149 -14.023 1.00 0.00 C ATOM 991 NE ARG A 127 7.979 -7.893 -14.705 1.00 0.00 N ATOM 992 CZ ARG A 127 9.096 -7.201 -14.511 1.00 0.00 C ATOM 993 NH1 ARG A 127 10.014 -7.640 -13.661 1.00 0.00 N ATOM 994 NH2 ARG A 127 9.297 -6.066 -15.169 1.00 0.00 N ATOM 0 H ARG A 127 3.899 -9.207 -12.809 1.00 0.00 H new ATOM 0 HA ARG A 127 5.311 -10.751 -13.643 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.533 -10.086 -10.939 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.390 -10.978 -12.181 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.190 -8.259 -12.757 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.766 -8.416 -12.007 1.00 0.00 H new ATOM 0 HD2 ARG A 127 8.596 -9.727 -13.908 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.003 -9.743 -14.638 1.00 0.00 H new ATOM 0 HE ARG A 127 7.294 -7.527 -15.366 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.864 -8.512 -13.153 1.00 0.00 H new ATOM 0 HH12 ARG A 127 10.871 -7.106 -13.515 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.593 -5.725 -15.824 1.00 0.00 H new ATOM 0 HH22 ARG A 127 10.155 -5.535 -15.020 1.00 0.00 H new ATOM 1008 N GLU A 128 3.823 -12.649 -12.131 1.00 0.00 N ATOM 1009 CA GLU A 128 3.487 -14.004 -11.709 1.00 0.00 C ATOM 1010 C GLU A 128 3.719 -14.180 -10.211 1.00 0.00 C ATOM 1011 O GLU A 128 4.357 -15.140 -9.779 1.00 0.00 O ATOM 1012 CB GLU A 128 4.317 -15.026 -12.488 1.00 0.00 C ATOM 1013 CG GLU A 128 4.189 -14.891 -13.996 1.00 0.00 C ATOM 1014 CD GLU A 128 5.406 -15.415 -14.734 1.00 0.00 C ATOM 1015 OE1 GLU A 128 6.186 -16.177 -14.126 1.00 0.00 O ATOM 1016 OE2 GLU A 128 5.577 -15.062 -15.920 1.00 0.00 O ATOM 0 H GLU A 128 3.028 -12.099 -12.457 1.00 0.00 H new ATOM 0 HA GLU A 128 2.430 -14.170 -11.918 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.365 -14.918 -12.210 1.00 0.00 H new ATOM 0 HB3 GLU A 128 4.011 -16.030 -12.194 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.304 -15.432 -14.332 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.037 -13.842 -14.252 1.00 0.00 H new ATOM 1023 N ARG A 129 3.197 -13.245 -9.423 1.00 0.00 N ATOM 1024 CA ARG A 129 3.349 -13.295 -7.974 1.00 0.00 C ATOM 1025 C ARG A 129 2.110 -12.738 -7.278 1.00 0.00 C ATOM 1026 O ARG A 129 1.468 -11.815 -7.779 1.00 0.00 O ATOM 1027 CB ARG A 129 4.587 -12.507 -7.542 1.00 0.00 C ATOM 1028 CG ARG A 129 4.302 -11.048 -7.228 1.00 0.00 C ATOM 1029 CD ARG A 129 3.832 -10.868 -5.793 1.00 0.00 C ATOM 1030 NE ARG A 129 4.950 -10.702 -4.868 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.494 -11.704 -4.185 1.00 0.00 C ATOM 1032 NH1 ARG A 129 5.025 -12.936 -4.324 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.509 -11.474 -3.363 1.00 0.00 N ATOM 0 H ARG A 129 2.665 -12.444 -9.764 1.00 0.00 H new ATOM 0 HA ARG A 129 3.471 -14.338 -7.682 1.00 0.00 H new ATOM 0 HB2 ARG A 129 5.020 -12.981 -6.661 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.335 -12.560 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.202 -10.456 -7.394 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.542 -10.670 -7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.179 -9.998 -5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.240 -11.733 -5.494 1.00 0.00 H new ATOM 0 HE ARG A 129 5.334 -9.766 -4.739 1.00 0.00 H new ATOM 0 HH11 ARG A 129 4.245 -13.117 -4.956 1.00 0.00 H new ATOM 0 HH12 ARG A 129 5.444 -13.703 -3.799 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.873 -10.527 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.926 -12.244 -2.839 1.00 0.00 H new ATOM 1047 N GLU A 130 1.781 -13.305 -6.122 1.00 0.00 N ATOM 1048 CA GLU A 130 0.619 -12.866 -5.359 1.00 0.00 C ATOM 1049 C GLU A 130 0.935 -11.600 -4.567 1.00 0.00 C ATOM 1050 O GLU A 130 1.893 -11.561 -3.793 1.00 0.00 O ATOM 1051 CB GLU A 130 0.156 -13.973 -4.410 1.00 0.00 C ATOM 1052 CG GLU A 130 1.006 -14.094 -3.156 1.00 0.00 C ATOM 1053 CD GLU A 130 0.856 -15.442 -2.478 1.00 0.00 C ATOM 1054 OE1 GLU A 130 0.431 -16.402 -3.155 1.00 0.00 O ATOM 1055 OE2 GLU A 130 1.163 -15.538 -1.272 1.00 0.00 O ATOM 0 H GLU A 130 2.303 -14.069 -5.693 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.183 -12.643 -6.063 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.878 -13.784 -4.121 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.169 -14.925 -4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 130 2.053 -13.936 -3.415 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.728 -13.306 -2.456 1.00 0.00 H new ATOM 1062 N LEU A 131 0.124 -10.567 -4.767 1.00 0.00 N ATOM 1063 CA LEU A 131 0.316 -9.299 -4.072 1.00 0.00 C ATOM 1064 C LEU A 131 -0.697 -9.137 -2.943 1.00 0.00 C ATOM 1065 O LEU A 131 -1.891 -9.368 -3.130 1.00 0.00 O ATOM 1066 CB LEU A 131 0.193 -8.133 -5.054 1.00 0.00 C ATOM 1067 CG LEU A 131 1.269 -8.050 -6.137 1.00 0.00 C ATOM 1068 CD1 LEU A 131 0.723 -7.369 -7.382 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.494 -7.312 -5.616 1.00 0.00 C ATOM 0 H LEU A 131 -0.672 -10.582 -5.404 1.00 0.00 H new ATOM 0 HA LEU A 131 1.317 -9.298 -3.640 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.780 -8.196 -5.541 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.206 -7.203 -4.486 1.00 0.00 H new ATOM 0 HG LEU A 131 1.567 -9.064 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.503 -7.319 -8.141 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.122 -7.939 -7.767 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.396 -6.360 -7.131 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.250 -7.262 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.211 -6.302 -5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 131 2.899 -7.843 -4.755 1.00 0.00 H new ATOM 1081 N SER A 132 -0.212 -8.736 -1.772 1.00 0.00 N ATOM 1082 CA SER A 132 -1.074 -8.545 -0.613 1.00 0.00 C ATOM 1083 C SER A 132 -1.202 -7.064 -0.269 1.00 0.00 C ATOM 1084 O SER A 132 -0.208 -6.390 0.003 1.00 0.00 O ATOM 1085 CB SER A 132 -0.526 -9.314 0.591 1.00 0.00 C ATOM 1086 OG SER A 132 -0.987 -10.654 0.592 1.00 0.00 O ATOM 0 H SER A 132 0.774 -8.537 -1.602 1.00 0.00 H new ATOM 0 HA SER A 132 -2.063 -8.930 -0.861 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.564 -9.301 0.570 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.833 -8.820 1.513 1.00 0.00 H new ATOM 0 HG SER A 132 -0.622 -11.125 1.370 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.433 -6.563 -0.282 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.692 -5.163 0.029 1.00 0.00 C ATOM 1094 C VAL A 133 -3.748 -5.029 1.121 1.00 0.00 C ATOM 1095 O VAL A 133 -4.757 -5.733 1.111 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.158 -4.388 -1.217 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -3.191 -2.893 -0.936 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.255 -4.695 -2.403 1.00 0.00 C ATOM 0 H VAL A 133 -3.267 -7.107 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.752 -4.738 0.382 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.170 -4.709 -1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.523 -2.362 -1.828 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -3.881 -2.692 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -2.193 -2.552 -0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.599 -4.139 -3.275 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.232 -4.403 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.287 -5.763 -2.618 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.507 -4.120 2.061 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.438 -3.894 3.160 1.00 0.00 C ATOM 1110 C GLN A 134 -4.280 -2.487 3.727 1.00 0.00 C ATOM 1111 O GLN A 134 -3.265 -1.826 3.502 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.216 -4.929 4.265 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.849 -4.833 4.923 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.860 -5.308 6.363 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -3.753 -4.962 7.136 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -1.864 -6.106 6.731 1.00 0.00 N ATOM 0 H GLN A 134 -2.676 -3.529 2.083 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.451 -3.998 2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -4.986 -4.806 5.027 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.339 -5.928 3.846 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.134 -5.427 4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.505 -3.799 4.888 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -1.145 -6.368 6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -1.819 -6.457 7.688 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.290 -2.034 4.462 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.263 -0.704 5.061 1.00 0.00 C ATOM 1127 C LEU A 135 -4.097 -0.568 6.034 1.00 0.00 C ATOM 1128 O LEU A 135 -3.791 -1.494 6.784 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.581 -0.423 5.784 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.756 -0.003 4.900 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -9.070 -0.158 5.650 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.579 1.430 4.422 1.00 0.00 C ATOM 0 H LEU A 135 -6.137 -2.568 4.657 1.00 0.00 H new ATOM 0 HA LEU A 135 -5.131 0.025 4.262 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.868 -1.319 6.334 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.408 0.362 6.521 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.780 -0.655 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.895 0.146 5.005 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.202 -1.200 5.942 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -9.056 0.469 6.541 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -8.425 1.711 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.528 2.097 5.283 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.657 1.510 3.846 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.451 0.594 6.017 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.319 0.851 6.899 1.00 0.00 C ATOM 1146 C GLN A 136 -2.711 0.652 8.359 1.00 0.00 C ATOM 1147 O GLN A 136 -3.797 1.036 8.794 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.794 2.272 6.688 1.00 0.00 C ATOM 1149 CG GLN A 136 -0.431 2.516 7.317 1.00 0.00 C ATOM 1150 CD GLN A 136 0.009 3.963 7.212 1.00 0.00 C ATOM 1151 OE1 GLN A 136 0.149 4.504 6.114 1.00 0.00 O ATOM 1152 NE2 GLN A 136 0.229 4.600 8.356 1.00 0.00 N ATOM 0 H GLN A 136 -3.692 1.372 5.402 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.530 0.140 6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -1.733 2.473 5.618 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -2.510 2.981 7.105 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -0.462 2.225 8.367 1.00 0.00 H new ATOM 0 HG3 GLN A 136 0.308 1.879 6.831 1.00 0.00 H new ATOM 0 HE21 GLN A 136 0.101 4.114 9.243 1.00 0.00 H new ATOM 0 HE22 GLN A 136 0.526 5.576 8.347 1.00 0.00 H new