USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=14 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 84 HIS : no HD1:sc= 0.417 K(o=1.6,f=-4!) USER MOD Set 1.2: A 95 CYS SG : rot 13:sc= 1.17 USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 80 ASN :FLIP amide:sc= -0.404 F(o=-0.93,f=-0.4) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 SER OG : rot -39:sc= 0.528 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 -75:sc= 0.832 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+ -115:sc= -0.252 (180deg=-1.75!) USER MOD Single : A 103 THR OG1 : rot 114:sc= 0.183 USER MOD Single : A 107 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 110 ASN : amide:sc= -1.57 K(o=-1.6,f=-13!) USER MOD Single : A 113 GLN : amide:sc= -1.86! C(o=-1.9!,f=-5.9!) USER MOD Single : A 119 ASN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 HIS : no HD1:sc= -8.12! C(o=-8.1!,f=-7.9!) USER MOD Single : A 123 GLN :FLIP amide:sc= -4.04! C(o=-4.8!,f=-4!) USER MOD Single : A 124 SER OG : rot -87:sc= 1.19 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 136 GLN : amide:sc= -0.243 K(o=-0.24,f=-3.7!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 68 -4.365 5.778 4.013 1.00 0.00 N ATOM 60 CA GLY A 68 -3.122 5.029 4.004 1.00 0.00 C ATOM 61 C GLY A 68 -3.303 3.610 3.504 1.00 0.00 C ATOM 62 O GLY A 68 -4.363 3.010 3.689 1.00 0.00 O ATOM 0 HA2 GLY A 68 -2.396 5.543 3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -2.708 5.006 5.012 1.00 0.00 H new ATOM 66 N ILE A 69 -2.269 3.072 2.867 1.00 0.00 N ATOM 67 CA ILE A 69 -2.319 1.715 2.338 1.00 0.00 C ATOM 68 C ILE A 69 -1.033 0.956 2.646 1.00 0.00 C ATOM 69 O ILE A 69 0.006 1.559 2.920 1.00 0.00 O ATOM 70 CB ILE A 69 -2.552 1.712 0.815 1.00 0.00 C ATOM 71 CG1 ILE A 69 -1.365 2.356 0.095 1.00 0.00 C ATOM 72 CG2 ILE A 69 -3.843 2.441 0.475 1.00 0.00 C ATOM 73 CD1 ILE A 69 -0.250 1.383 -0.220 1.00 0.00 C ATOM 0 H ILE A 69 -1.386 3.556 2.705 1.00 0.00 H new ATOM 0 HA ILE A 69 -3.157 1.217 2.826 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.641 0.679 0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.715 2.808 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.969 3.162 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.993 2.430 -0.605 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.681 1.944 0.963 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.781 3.472 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.558 1.908 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.127 0.949 0.706 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -0.630 0.590 -0.864 1.00 0.00 H new ATOM 85 N LEU A 70 -1.108 -0.369 2.596 1.00 0.00 N ATOM 86 CA LEU A 70 0.052 -1.211 2.868 1.00 0.00 C ATOM 87 C LEU A 70 0.149 -2.347 1.854 1.00 0.00 C ATOM 88 O LEU A 70 -0.803 -3.103 1.661 1.00 0.00 O ATOM 89 CB LEU A 70 -0.029 -1.783 4.285 1.00 0.00 C ATOM 90 CG LEU A 70 0.658 -3.131 4.505 1.00 0.00 C ATOM 91 CD1 LEU A 70 2.128 -3.049 4.126 1.00 0.00 C ATOM 92 CD2 LEU A 70 0.502 -3.579 5.951 1.00 0.00 C ATOM 0 H LEU A 70 -1.959 -0.884 2.370 1.00 0.00 H new ATOM 0 HA LEU A 70 0.946 -0.594 2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.407 -1.059 4.973 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.080 -1.885 4.554 1.00 0.00 H new ATOM 0 HG LEU A 70 0.179 -3.870 3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.600 -4.018 4.289 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.218 -2.774 3.075 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.621 -2.297 4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.997 -4.540 6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.954 -2.839 6.612 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.557 -3.679 6.189 1.00 0.00 H new ATOM 104 N ILE A 71 1.306 -2.462 1.212 1.00 0.00 N ATOM 105 CA ILE A 71 1.529 -3.507 0.221 1.00 0.00 C ATOM 106 C ILE A 71 2.613 -4.477 0.679 1.00 0.00 C ATOM 107 O ILE A 71 3.648 -4.065 1.203 1.00 0.00 O ATOM 108 CB ILE A 71 1.930 -2.914 -1.143 1.00 0.00 C ATOM 109 CG1 ILE A 71 0.727 -2.238 -1.803 1.00 0.00 C ATOM 110 CG2 ILE A 71 2.496 -3.999 -2.047 1.00 0.00 C ATOM 111 CD1 ILE A 71 1.097 -1.353 -2.973 1.00 0.00 C ATOM 0 H ILE A 71 2.104 -1.844 1.360 1.00 0.00 H new ATOM 0 HA ILE A 71 0.587 -4.044 0.112 1.00 0.00 H new ATOM 0 HB ILE A 71 2.703 -2.162 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.031 -3.005 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.202 -1.640 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.775 -3.564 -3.007 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.376 -4.440 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.743 -4.772 -2.204 1.00 0.00 H new ATOM 0 HD11 ILE A 71 0.195 -0.907 -3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.768 -0.564 -2.634 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.595 -1.950 -3.737 1.00 0.00 H new ATOM 123 N ARG A 72 2.368 -5.768 0.476 1.00 0.00 N ATOM 124 CA ARG A 72 3.323 -6.797 0.868 1.00 0.00 C ATOM 125 C ARG A 72 3.723 -7.652 -0.331 1.00 0.00 C ATOM 126 O ARG A 72 2.875 -8.071 -1.118 1.00 0.00 O ATOM 127 CB ARG A 72 2.729 -7.683 1.964 1.00 0.00 C ATOM 128 CG ARG A 72 2.610 -6.988 3.311 1.00 0.00 C ATOM 129 CD ARG A 72 2.674 -7.983 4.459 1.00 0.00 C ATOM 130 NE ARG A 72 3.989 -8.609 4.567 1.00 0.00 N ATOM 131 CZ ARG A 72 4.301 -9.507 5.496 1.00 0.00 C ATOM 132 NH1 ARG A 72 3.398 -9.881 6.391 1.00 0.00 N ATOM 133 NH2 ARG A 72 5.519 -10.032 5.529 1.00 0.00 N ATOM 0 H ARG A 72 1.517 -6.125 0.043 1.00 0.00 H new ATOM 0 HA ARG A 72 4.214 -6.302 1.254 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.741 -8.021 1.651 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.349 -8.572 2.077 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.412 -6.257 3.417 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.670 -6.439 3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 72 2.437 -7.474 5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 72 1.916 -8.753 4.314 1.00 0.00 H new ATOM 0 HE ARG A 72 4.707 -8.343 3.893 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.461 -9.480 6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.640 -10.570 7.103 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.216 -9.747 4.841 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.758 -10.721 6.242 1.00 0.00 H new ATOM 147 N GLY A 73 5.021 -7.907 -0.463 1.00 0.00 N ATOM 148 CA GLY A 73 5.511 -8.710 -1.569 1.00 0.00 C ATOM 149 C GLY A 73 5.817 -7.878 -2.798 1.00 0.00 C ATOM 150 O GLY A 73 5.005 -7.799 -3.721 1.00 0.00 O ATOM 0 H GLY A 73 5.742 -7.572 0.176 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.412 -9.239 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.768 -9.467 -1.822 1.00 0.00 H new ATOM 154 N LEU A 74 6.990 -7.255 -2.813 1.00 0.00 N ATOM 155 CA LEU A 74 7.401 -6.423 -3.938 1.00 0.00 C ATOM 156 C LEU A 74 8.672 -6.968 -4.582 1.00 0.00 C ATOM 157 O LEU A 74 9.495 -7.617 -3.937 1.00 0.00 O ATOM 158 CB LEU A 74 7.626 -4.982 -3.477 1.00 0.00 C ATOM 159 CG LEU A 74 6.414 -4.273 -2.873 1.00 0.00 C ATOM 160 CD1 LEU A 74 6.839 -2.995 -2.167 1.00 0.00 C ATOM 161 CD2 LEU A 74 5.381 -3.972 -3.949 1.00 0.00 C ATOM 0 H LEU A 74 7.674 -7.310 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 74 6.604 -6.439 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.428 -4.979 -2.739 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.975 -4.399 -4.330 1.00 0.00 H new ATOM 0 HG LEU A 74 5.960 -4.936 -2.137 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.963 -2.504 -1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.541 -3.236 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.319 -2.327 -2.882 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.525 -3.467 -3.501 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.824 -3.329 -4.709 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.052 -4.904 -4.409 1.00 0.00 H new ATOM 173 N PRO A 75 8.839 -6.696 -5.885 1.00 0.00 N ATOM 174 CA PRO A 75 10.009 -7.147 -6.644 1.00 0.00 C ATOM 175 C PRO A 75 11.284 -6.421 -6.229 1.00 0.00 C ATOM 176 O PRO A 75 11.288 -5.651 -5.269 1.00 0.00 O ATOM 177 CB PRO A 75 9.646 -6.805 -8.091 1.00 0.00 C ATOM 178 CG PRO A 75 8.673 -5.682 -7.983 1.00 0.00 C ATOM 179 CD PRO A 75 7.899 -5.927 -6.717 1.00 0.00 C ATOM 0 HA PRO A 75 10.218 -8.204 -6.481 1.00 0.00 H new ATOM 0 HB2 PRO A 75 10.527 -6.512 -8.661 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.206 -7.662 -8.602 1.00 0.00 H new ATOM 0 HG2 PRO A 75 9.187 -4.722 -7.947 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.010 -5.656 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 75 7.609 -4.993 -6.236 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.982 -6.485 -6.908 1.00 0.00 H new ATOM 187 N GLY A 76 12.367 -6.672 -6.959 1.00 0.00 N ATOM 188 CA GLY A 76 13.634 -6.035 -6.650 1.00 0.00 C ATOM 189 C GLY A 76 13.851 -4.762 -7.445 1.00 0.00 C ATOM 190 O GLY A 76 14.878 -4.099 -7.300 1.00 0.00 O ATOM 0 H GLY A 76 12.389 -7.305 -7.759 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.672 -5.806 -5.585 1.00 0.00 H new ATOM 0 HA3 GLY A 76 14.447 -6.731 -6.855 1.00 0.00 H new ATOM 194 N ASP A 77 12.883 -4.421 -8.288 1.00 0.00 N ATOM 195 CA ASP A 77 12.973 -3.219 -9.110 1.00 0.00 C ATOM 196 C ASP A 77 11.907 -2.205 -8.707 1.00 0.00 C ATOM 197 O ASP A 77 11.828 -1.114 -9.273 1.00 0.00 O ATOM 198 CB ASP A 77 12.823 -3.575 -10.590 1.00 0.00 C ATOM 199 CG ASP A 77 14.100 -4.140 -11.181 1.00 0.00 C ATOM 200 OD1 ASP A 77 15.124 -3.424 -11.176 1.00 0.00 O ATOM 201 OD2 ASP A 77 14.075 -5.297 -11.650 1.00 0.00 O ATOM 0 H ASP A 77 12.027 -4.959 -8.421 1.00 0.00 H new ATOM 0 HA ASP A 77 13.954 -2.771 -8.950 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.019 -4.302 -10.706 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.531 -2.685 -11.147 1.00 0.00 H new ATOM 206 N VAL A 78 11.088 -2.572 -7.727 1.00 0.00 N ATOM 207 CA VAL A 78 10.027 -1.694 -7.248 1.00 0.00 C ATOM 208 C VAL A 78 10.589 -0.358 -6.777 1.00 0.00 C ATOM 209 O VAL A 78 11.246 -0.280 -5.737 1.00 0.00 O ATOM 210 CB VAL A 78 9.239 -2.343 -6.095 1.00 0.00 C ATOM 211 CG1 VAL A 78 10.148 -2.594 -4.902 1.00 0.00 C ATOM 212 CG2 VAL A 78 8.057 -1.470 -5.700 1.00 0.00 C ATOM 0 H VAL A 78 11.139 -3.472 -7.249 1.00 0.00 H new ATOM 0 HA VAL A 78 9.353 -1.525 -8.088 1.00 0.00 H new ATOM 0 HB VAL A 78 8.854 -3.304 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 78 9.574 -3.053 -4.097 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.958 -3.261 -5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 78 10.565 -1.648 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.511 -1.944 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 78 8.418 -0.494 -5.377 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.394 -1.346 -6.556 1.00 0.00 H new ATOM 222 N THR A 79 10.328 0.693 -7.547 1.00 0.00 N ATOM 223 CA THR A 79 10.809 2.027 -7.209 1.00 0.00 C ATOM 224 C THR A 79 9.648 2.985 -6.966 1.00 0.00 C ATOM 225 O THR A 79 8.492 2.653 -7.228 1.00 0.00 O ATOM 226 CB THR A 79 11.707 2.599 -8.322 1.00 0.00 C ATOM 227 OG1 THR A 79 12.078 3.946 -8.007 1.00 0.00 O ATOM 228 CG2 THR A 79 10.994 2.564 -9.665 1.00 0.00 C ATOM 0 H THR A 79 9.786 0.646 -8.410 1.00 0.00 H new ATOM 0 HA THR A 79 11.394 1.930 -6.294 1.00 0.00 H new ATOM 0 HB THR A 79 12.603 1.982 -8.389 1.00 0.00 H new ATOM 0 HG1 THR A 79 12.650 4.303 -8.718 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.648 2.973 -10.435 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.739 1.534 -9.915 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.083 3.160 -9.609 1.00 0.00 H new ATOM 236 N ASN A 80 9.963 4.175 -6.465 1.00 0.00 N ATOM 237 CA ASN A 80 8.945 5.181 -6.187 1.00 0.00 C ATOM 238 C ASN A 80 8.144 5.506 -7.444 1.00 0.00 C ATOM 239 O ASN A 80 6.949 5.792 -7.373 1.00 0.00 O ATOM 240 CB ASN A 80 9.592 6.454 -5.638 1.00 0.00 C ATOM 241 CG ASN A 80 10.942 6.735 -6.271 1.00 0.00 C ATOM 242 OD1 ASN A 80 10.927 7.211 -7.511 1.00 0.00 O flip ATOM 243 ND2 ASN A 80 11.985 6.526 -5.652 1.00 0.00 N flip ATOM 0 H ASN A 80 10.915 4.466 -6.243 1.00 0.00 H new ATOM 0 HA ASN A 80 8.264 4.776 -5.438 1.00 0.00 H new ATOM 0 HB2 ASN A 80 8.928 7.301 -5.813 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.712 6.361 -4.559 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.949 6.160 -4.701 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.886 6.719 -6.090 1.00 0.00 H new ATOM 250 N GLN A 81 8.810 5.458 -8.593 1.00 0.00 N ATOM 251 CA GLN A 81 8.160 5.747 -9.865 1.00 0.00 C ATOM 252 C GLN A 81 7.034 4.756 -10.139 1.00 0.00 C ATOM 253 O GLN A 81 6.016 5.108 -10.735 1.00 0.00 O ATOM 254 CB GLN A 81 9.180 5.706 -11.005 1.00 0.00 C ATOM 255 CG GLN A 81 8.653 6.270 -12.314 1.00 0.00 C ATOM 256 CD GLN A 81 8.812 7.774 -12.408 1.00 0.00 C ATOM 257 OE1 GLN A 81 9.834 8.274 -12.880 1.00 0.00 O ATOM 258 NE2 GLN A 81 7.800 8.506 -11.957 1.00 0.00 N ATOM 0 H GLN A 81 9.799 5.222 -8.669 1.00 0.00 H new ATOM 0 HA GLN A 81 7.732 6.748 -9.806 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.067 6.267 -10.708 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.494 4.674 -11.164 1.00 0.00 H new ATOM 0 HG2 GLN A 81 9.179 5.800 -13.145 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.599 6.013 -12.418 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.972 8.050 -11.574 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.851 9.524 -11.994 1.00 0.00 H new ATOM 267 N GLU A 82 7.224 3.516 -9.700 1.00 0.00 N ATOM 268 CA GLU A 82 6.224 2.474 -9.900 1.00 0.00 C ATOM 269 C GLU A 82 4.937 2.804 -9.149 1.00 0.00 C ATOM 270 O GLU A 82 3.839 2.687 -9.694 1.00 0.00 O ATOM 271 CB GLU A 82 6.765 1.120 -9.434 1.00 0.00 C ATOM 272 CG GLU A 82 5.804 -0.033 -9.669 1.00 0.00 C ATOM 273 CD GLU A 82 6.015 -1.175 -8.694 1.00 0.00 C ATOM 274 OE1 GLU A 82 6.883 -2.032 -8.965 1.00 0.00 O ATOM 275 OE2 GLU A 82 5.313 -1.213 -7.663 1.00 0.00 O ATOM 0 H GLU A 82 8.061 3.209 -9.204 1.00 0.00 H new ATOM 0 HA GLU A 82 6.000 2.421 -10.965 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.701 0.914 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 82 6.997 1.177 -8.371 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.780 0.329 -9.583 1.00 0.00 H new ATOM 0 HG3 GLU A 82 5.927 -0.402 -10.687 1.00 0.00 H new ATOM 282 N VAL A 83 5.080 3.218 -7.894 1.00 0.00 N ATOM 283 CA VAL A 83 3.931 3.566 -7.068 1.00 0.00 C ATOM 284 C VAL A 83 3.276 4.855 -7.552 1.00 0.00 C ATOM 285 O VAL A 83 2.051 4.974 -7.567 1.00 0.00 O ATOM 286 CB VAL A 83 4.331 3.730 -5.589 1.00 0.00 C ATOM 287 CG1 VAL A 83 4.711 2.386 -4.987 1.00 0.00 C ATOM 288 CG2 VAL A 83 5.472 4.727 -5.454 1.00 0.00 C ATOM 0 H VAL A 83 5.981 3.320 -7.427 1.00 0.00 H new ATOM 0 HA VAL A 83 3.219 2.745 -7.155 1.00 0.00 H new ATOM 0 HB VAL A 83 3.474 4.118 -5.039 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.991 2.521 -3.942 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.862 1.706 -5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 83 5.554 1.966 -5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.742 4.831 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.335 4.371 -6.017 1.00 0.00 H new ATOM 0 HG23 VAL A 83 5.158 5.695 -5.845 1.00 0.00 H new ATOM 298 N HIS A 84 4.102 5.819 -7.947 1.00 0.00 N ATOM 299 CA HIS A 84 3.603 7.101 -8.433 1.00 0.00 C ATOM 300 C HIS A 84 2.745 6.912 -9.681 1.00 0.00 C ATOM 301 O HIS A 84 1.645 7.457 -9.778 1.00 0.00 O ATOM 302 CB HIS A 84 4.769 8.042 -8.740 1.00 0.00 C ATOM 303 CG HIS A 84 5.182 8.883 -7.571 1.00 0.00 C ATOM 304 ND1 HIS A 84 4.429 9.936 -7.098 1.00 0.00 N ATOM 305 CD2 HIS A 84 6.278 8.820 -6.779 1.00 0.00 C ATOM 306 CE1 HIS A 84 5.044 10.486 -6.066 1.00 0.00 C ATOM 307 NE2 HIS A 84 6.168 9.827 -5.852 1.00 0.00 N ATOM 0 H HIS A 84 5.119 5.737 -7.940 1.00 0.00 H new ATOM 0 HA HIS A 84 2.985 7.543 -7.651 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.623 7.453 -9.073 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.490 8.695 -9.567 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.088 8.110 -6.861 1.00 0.00 H new ATOM 0 HE1 HIS A 84 4.688 11.331 -5.495 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.845 10.033 -5.117 1.00 0.00 H new ATOM 316 N ASP A 85 3.255 6.138 -10.632 1.00 0.00 N ATOM 317 CA ASP A 85 2.535 5.877 -11.873 1.00 0.00 C ATOM 318 C ASP A 85 1.250 5.099 -11.603 1.00 0.00 C ATOM 319 O ASP A 85 0.212 5.364 -12.211 1.00 0.00 O ATOM 320 CB ASP A 85 3.421 5.100 -12.848 1.00 0.00 C ATOM 321 CG ASP A 85 2.804 4.989 -14.228 1.00 0.00 C ATOM 322 OD1 ASP A 85 2.052 5.907 -14.618 1.00 0.00 O ATOM 323 OD2 ASP A 85 3.074 3.985 -14.920 1.00 0.00 O ATOM 0 H ASP A 85 4.164 5.680 -10.568 1.00 0.00 H new ATOM 0 HA ASP A 85 2.271 6.836 -12.319 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.390 5.593 -12.925 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.602 4.100 -12.453 1.00 0.00 H new ATOM 328 N LEU A 86 1.328 4.139 -10.689 1.00 0.00 N ATOM 329 CA LEU A 86 0.171 3.321 -10.339 1.00 0.00 C ATOM 330 C LEU A 86 -0.923 4.171 -9.701 1.00 0.00 C ATOM 331 O LEU A 86 -2.109 3.983 -9.975 1.00 0.00 O ATOM 332 CB LEU A 86 0.585 2.201 -9.383 1.00 0.00 C ATOM 333 CG LEU A 86 -0.533 1.264 -8.924 1.00 0.00 C ATOM 334 CD1 LEU A 86 -1.137 0.531 -10.111 1.00 0.00 C ATOM 335 CD2 LEU A 86 -0.009 0.274 -7.894 1.00 0.00 C ATOM 0 H LEU A 86 2.179 3.907 -10.177 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.224 2.881 -11.255 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.357 1.603 -9.868 1.00 0.00 H new ATOM 0 HB3 LEU A 86 1.039 2.653 -8.501 1.00 0.00 H new ATOM 0 HG LEU A 86 -1.315 1.864 -8.458 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -1.931 -0.131 -9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.549 1.255 -10.814 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.365 -0.057 -10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -0.818 -0.385 -7.578 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.792 -0.320 -8.335 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.375 0.817 -7.030 1.00 0.00 H new ATOM 347 N LEU A 87 -0.518 5.108 -8.851 1.00 0.00 N ATOM 348 CA LEU A 87 -1.464 5.990 -8.175 1.00 0.00 C ATOM 349 C LEU A 87 -1.389 7.404 -8.740 1.00 0.00 C ATOM 350 O LEU A 87 -1.562 8.383 -8.014 1.00 0.00 O ATOM 351 CB LEU A 87 -1.185 6.013 -6.672 1.00 0.00 C ATOM 352 CG LEU A 87 -1.712 4.821 -5.872 1.00 0.00 C ATOM 353 CD1 LEU A 87 -1.037 4.750 -4.511 1.00 0.00 C ATOM 354 CD2 LEU A 87 -3.223 4.909 -5.717 1.00 0.00 C ATOM 0 H LEU A 87 0.459 5.277 -8.613 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.469 5.604 -8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -0.107 6.076 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.617 6.923 -6.257 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.476 3.908 -6.419 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.425 3.896 -3.957 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.039 4.638 -4.644 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.241 5.666 -3.956 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.581 4.053 -5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.482 5.829 -5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.690 4.908 -6.702 1.00 0.00 H new ATOM 366 N SER A 88 -1.132 7.504 -10.041 1.00 0.00 N ATOM 367 CA SER A 88 -1.032 8.799 -10.703 1.00 0.00 C ATOM 368 C SER A 88 -2.415 9.329 -11.071 1.00 0.00 C ATOM 369 O SER A 88 -2.544 10.257 -11.870 1.00 0.00 O ATOM 370 CB SER A 88 -0.165 8.689 -11.959 1.00 0.00 C ATOM 371 OG SER A 88 0.140 9.969 -12.483 1.00 0.00 O ATOM 0 H SER A 88 -0.989 6.703 -10.657 1.00 0.00 H new ATOM 0 HA SER A 88 -0.566 9.499 -10.009 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.758 8.160 -11.722 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.685 8.099 -12.713 1.00 0.00 H new ATOM 0 HG SER A 88 -0.646 10.550 -12.407 1.00 0.00 H new ATOM 377 N ASP A 89 -3.446 8.732 -10.484 1.00 0.00 N ATOM 378 CA ASP A 89 -4.820 9.142 -10.748 1.00 0.00 C ATOM 379 C ASP A 89 -5.413 9.864 -9.542 1.00 0.00 C ATOM 380 O ASP A 89 -6.345 10.658 -9.677 1.00 0.00 O ATOM 381 CB ASP A 89 -5.678 7.927 -11.103 1.00 0.00 C ATOM 382 CG ASP A 89 -5.501 7.496 -12.546 1.00 0.00 C ATOM 383 OD1 ASP A 89 -6.198 8.051 -13.421 1.00 0.00 O ATOM 384 OD2 ASP A 89 -4.667 6.601 -12.800 1.00 0.00 O ATOM 0 H ASP A 89 -3.356 7.962 -9.821 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.812 9.830 -11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -5.419 7.098 -10.445 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.727 8.161 -10.923 1.00 0.00 H new ATOM 389 N TYR A 90 -4.867 9.584 -8.364 1.00 0.00 N ATOM 390 CA TYR A 90 -5.344 10.204 -7.134 1.00 0.00 C ATOM 391 C TYR A 90 -4.333 11.217 -6.607 1.00 0.00 C ATOM 392 O TYR A 90 -3.303 11.466 -7.233 1.00 0.00 O ATOM 393 CB TYR A 90 -5.614 9.137 -6.072 1.00 0.00 C ATOM 394 CG TYR A 90 -6.346 7.925 -6.603 1.00 0.00 C ATOM 395 CD1 TYR A 90 -5.684 6.964 -7.357 1.00 0.00 C ATOM 396 CD2 TYR A 90 -7.700 7.741 -6.351 1.00 0.00 C ATOM 397 CE1 TYR A 90 -6.349 5.856 -7.845 1.00 0.00 C ATOM 398 CE2 TYR A 90 -8.373 6.635 -6.834 1.00 0.00 C ATOM 399 CZ TYR A 90 -7.693 5.696 -7.581 1.00 0.00 C ATOM 400 OH TYR A 90 -8.359 4.593 -8.064 1.00 0.00 O ATOM 0 H TYR A 90 -4.094 8.932 -8.235 1.00 0.00 H new ATOM 0 HA TYR A 90 -6.273 10.728 -7.358 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -4.665 8.818 -5.641 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -6.198 9.579 -5.265 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -4.631 7.085 -7.565 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -8.236 8.475 -5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.819 5.119 -8.430 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -9.425 6.507 -6.628 1.00 0.00 H new ATOM 0 HH TYR A 90 -9.299 4.631 -7.788 1.00 0.00 H new ATOM 410 N GLU A 91 -4.635 11.798 -5.450 1.00 0.00 N ATOM 411 CA GLU A 91 -3.753 12.785 -4.838 1.00 0.00 C ATOM 412 C GLU A 91 -2.737 12.111 -3.919 1.00 0.00 C ATOM 413 O GLU A 91 -3.087 11.612 -2.848 1.00 0.00 O ATOM 414 CB GLU A 91 -4.568 13.811 -4.049 1.00 0.00 C ATOM 415 CG GLU A 91 -5.005 15.008 -4.878 1.00 0.00 C ATOM 416 CD GLU A 91 -3.899 16.029 -5.057 1.00 0.00 C ATOM 417 OE1 GLU A 91 -3.726 16.880 -4.160 1.00 0.00 O ATOM 418 OE2 GLU A 91 -3.205 15.977 -6.095 1.00 0.00 O ATOM 0 H GLU A 91 -5.483 11.602 -4.918 1.00 0.00 H new ATOM 0 HA GLU A 91 -3.214 13.296 -5.635 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.451 13.322 -3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -3.975 14.162 -3.204 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.339 14.665 -5.857 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.860 15.485 -4.398 1.00 0.00 H new ATOM 425 N LEU A 92 -1.479 12.099 -4.345 1.00 0.00 N ATOM 426 CA LEU A 92 -0.412 11.487 -3.561 1.00 0.00 C ATOM 427 C LEU A 92 0.254 12.514 -2.651 1.00 0.00 C ATOM 428 O LEU A 92 1.183 13.211 -3.058 1.00 0.00 O ATOM 429 CB LEU A 92 0.631 10.858 -4.487 1.00 0.00 C ATOM 430 CG LEU A 92 0.259 9.506 -5.097 1.00 0.00 C ATOM 431 CD1 LEU A 92 1.247 9.122 -6.187 1.00 0.00 C ATOM 432 CD2 LEU A 92 0.207 8.432 -4.020 1.00 0.00 C ATOM 0 H LEU A 92 -1.173 12.506 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.853 10.709 -2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.835 11.556 -5.299 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.559 10.739 -3.928 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.731 9.591 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.966 8.157 -6.609 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.236 9.879 -6.971 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.249 9.054 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.059 7.476 -4.472 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.183 8.348 -3.542 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.540 8.701 -3.274 1.00 0.00 H new ATOM 444 N LYS A 93 -0.227 12.601 -1.415 1.00 0.00 N ATOM 445 CA LYS A 93 0.322 13.539 -0.444 1.00 0.00 C ATOM 446 C LYS A 93 1.667 13.050 0.086 1.00 0.00 C ATOM 447 O LYS A 93 2.573 13.845 0.336 1.00 0.00 O ATOM 448 CB LYS A 93 -0.655 13.734 0.718 1.00 0.00 C ATOM 449 CG LYS A 93 -1.867 14.576 0.358 1.00 0.00 C ATOM 450 CD LYS A 93 -1.540 16.059 0.375 1.00 0.00 C ATOM 451 CE LYS A 93 -2.800 16.907 0.471 1.00 0.00 C ATOM 452 NZ LYS A 93 -3.254 17.068 1.880 1.00 0.00 N ATOM 0 H LYS A 93 -0.997 12.032 -1.062 1.00 0.00 H new ATOM 0 HA LYS A 93 0.475 14.494 -0.947 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.992 12.758 1.066 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -0.129 14.205 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.227 14.293 -0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -2.675 14.372 1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -0.887 16.279 1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.991 16.322 -0.529 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -2.611 17.888 0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -3.594 16.445 -0.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.115 17.652 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -3.459 16.133 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.506 17.532 2.435 1.00 0.00 H new ATOM 466 N TYR A 94 1.789 11.738 0.252 1.00 0.00 N ATOM 467 CA TYR A 94 3.023 11.143 0.753 1.00 0.00 C ATOM 468 C TYR A 94 3.297 9.805 0.073 1.00 0.00 C ATOM 469 O TYR A 94 2.413 8.954 -0.025 1.00 0.00 O ATOM 470 CB TYR A 94 2.943 10.952 2.268 1.00 0.00 C ATOM 471 CG TYR A 94 4.097 10.158 2.840 1.00 0.00 C ATOM 472 CD1 TYR A 94 5.389 10.669 2.829 1.00 0.00 C ATOM 473 CD2 TYR A 94 3.895 8.899 3.389 1.00 0.00 C ATOM 474 CE1 TYR A 94 6.446 9.947 3.349 1.00 0.00 C ATOM 475 CE2 TYR A 94 4.945 8.171 3.913 1.00 0.00 C ATOM 476 CZ TYR A 94 6.219 8.699 3.890 1.00 0.00 C ATOM 477 OH TYR A 94 7.269 7.977 4.410 1.00 0.00 O ATOM 0 H TYR A 94 1.049 11.066 0.047 1.00 0.00 H new ATOM 0 HA TYR A 94 3.844 11.822 0.523 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.913 11.930 2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 94 2.009 10.447 2.513 1.00 0.00 H new ATOM 0 HD1 TYR A 94 5.570 11.647 2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.899 8.482 3.407 1.00 0.00 H new ATOM 0 HE1 TYR A 94 7.445 10.358 3.332 1.00 0.00 H new ATOM 0 HE2 TYR A 94 4.770 7.194 4.338 1.00 0.00 H new ATOM 0 HH TYR A 94 7.804 7.605 3.678 1.00 0.00 H new ATOM 487 N CYS A 95 4.528 9.627 -0.392 1.00 0.00 N ATOM 488 CA CYS A 95 4.921 8.393 -1.063 1.00 0.00 C ATOM 489 C CYS A 95 6.119 7.754 -0.367 1.00 0.00 C ATOM 490 O CYS A 95 7.126 8.413 -0.112 1.00 0.00 O ATOM 491 CB CYS A 95 5.255 8.669 -2.530 1.00 0.00 C ATOM 492 SG CYS A 95 6.884 9.410 -2.789 1.00 0.00 S ATOM 0 H CYS A 95 5.271 10.321 -0.317 1.00 0.00 H new ATOM 0 HA CYS A 95 4.082 7.699 -1.014 1.00 0.00 H new ATOM 0 HB2 CYS A 95 5.201 7.733 -3.086 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.496 9.332 -2.946 1.00 0.00 H new ATOM 0 HG CYS A 95 7.583 9.313 -1.697 1.00 0.00 H new ATOM 498 N PHE A 96 6.001 6.466 -0.062 1.00 0.00 N ATOM 499 CA PHE A 96 7.073 5.737 0.606 1.00 0.00 C ATOM 500 C PHE A 96 7.200 4.323 0.048 1.00 0.00 C ATOM 501 O PHE A 96 6.253 3.538 0.092 1.00 0.00 O ATOM 502 CB PHE A 96 6.817 5.681 2.114 1.00 0.00 C ATOM 503 CG PHE A 96 8.017 5.257 2.911 1.00 0.00 C ATOM 504 CD1 PHE A 96 9.062 6.139 3.135 1.00 0.00 C ATOM 505 CD2 PHE A 96 8.101 3.978 3.435 1.00 0.00 C ATOM 506 CE1 PHE A 96 10.169 5.752 3.867 1.00 0.00 C ATOM 507 CE2 PHE A 96 9.205 3.585 4.169 1.00 0.00 C ATOM 508 CZ PHE A 96 10.239 4.474 4.386 1.00 0.00 C ATOM 0 H PHE A 96 5.174 5.905 -0.267 1.00 0.00 H new ATOM 0 HA PHE A 96 8.008 6.266 0.422 1.00 0.00 H new ATOM 0 HB2 PHE A 96 6.493 6.664 2.456 1.00 0.00 H new ATOM 0 HB3 PHE A 96 5.998 4.989 2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 96 9.011 7.140 2.733 1.00 0.00 H new ATOM 0 HD2 PHE A 96 7.295 3.279 3.268 1.00 0.00 H new ATOM 0 HE1 PHE A 96 10.978 6.448 4.033 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.258 2.584 4.572 1.00 0.00 H new ATOM 0 HZ PHE A 96 11.101 4.170 4.961 1.00 0.00 H new ATOM 518 N VAL A 97 8.379 4.005 -0.479 1.00 0.00 N ATOM 519 CA VAL A 97 8.632 2.686 -1.047 1.00 0.00 C ATOM 520 C VAL A 97 9.861 2.043 -0.415 1.00 0.00 C ATOM 521 O VAL A 97 10.965 2.584 -0.489 1.00 0.00 O ATOM 522 CB VAL A 97 8.831 2.760 -2.572 1.00 0.00 C ATOM 523 CG1 VAL A 97 9.191 1.392 -3.131 1.00 0.00 C ATOM 524 CG2 VAL A 97 7.583 3.310 -3.246 1.00 0.00 C ATOM 0 H VAL A 97 9.174 4.643 -0.524 1.00 0.00 H new ATOM 0 HA VAL A 97 7.755 2.075 -0.833 1.00 0.00 H new ATOM 0 HB VAL A 97 9.658 3.439 -2.781 1.00 0.00 H new ATOM 0 HG11 VAL A 97 9.328 1.464 -4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 97 10.115 1.043 -2.671 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.388 0.687 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 97 7.741 3.355 -4.323 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.736 2.658 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 97 7.376 4.311 -2.867 1.00 0.00 H new ATOM 534 N ASP A 98 9.663 0.886 0.206 1.00 0.00 N ATOM 535 CA ASP A 98 10.756 0.167 0.850 1.00 0.00 C ATOM 536 C ASP A 98 10.987 -1.184 0.180 1.00 0.00 C ATOM 537 O ASP A 98 10.329 -2.172 0.506 1.00 0.00 O ATOM 538 CB ASP A 98 10.458 -0.032 2.337 1.00 0.00 C ATOM 539 CG ASP A 98 11.719 -0.092 3.177 1.00 0.00 C ATOM 540 OD1 ASP A 98 12.294 0.980 3.463 1.00 0.00 O ATOM 541 OD2 ASP A 98 12.131 -1.210 3.550 1.00 0.00 O ATOM 0 H ASP A 98 8.756 0.426 0.277 1.00 0.00 H new ATOM 0 HA ASP A 98 11.662 0.764 0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.828 0.784 2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 98 9.891 -0.953 2.471 1.00 0.00 H new ATOM 546 N LYS A 99 11.927 -1.220 -0.759 1.00 0.00 N ATOM 547 CA LYS A 99 12.246 -2.449 -1.476 1.00 0.00 C ATOM 548 C LYS A 99 12.848 -3.487 -0.534 1.00 0.00 C ATOM 549 O LYS A 99 12.442 -4.649 -0.535 1.00 0.00 O ATOM 550 CB LYS A 99 13.219 -2.158 -2.621 1.00 0.00 C ATOM 551 CG LYS A 99 14.496 -1.468 -2.173 1.00 0.00 C ATOM 552 CD LYS A 99 15.299 -0.959 -3.358 1.00 0.00 C ATOM 553 CE LYS A 99 16.105 0.279 -2.995 1.00 0.00 C ATOM 554 NZ LYS A 99 17.350 0.387 -3.805 1.00 0.00 N ATOM 0 H LYS A 99 12.481 -0.412 -1.041 1.00 0.00 H new ATOM 0 HA LYS A 99 11.320 -2.851 -1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 99 13.476 -3.095 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 99 12.719 -1.534 -3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.249 -0.635 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.102 -2.164 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 99 15.971 -1.743 -3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 99 14.625 -0.727 -4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.494 1.168 -3.148 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.362 0.248 -1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.871 1.243 -3.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 17.945 -0.449 -3.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.104 0.443 -4.814 1.00 0.00 H new ATOM 568 N TYR A 100 13.817 -3.060 0.268 1.00 0.00 N ATOM 569 CA TYR A 100 14.476 -3.953 1.213 1.00 0.00 C ATOM 570 C TYR A 100 13.491 -4.975 1.774 1.00 0.00 C ATOM 571 O TYR A 100 13.585 -6.169 1.485 1.00 0.00 O ATOM 572 CB TYR A 100 15.100 -3.150 2.356 1.00 0.00 C ATOM 573 CG TYR A 100 15.725 -1.848 1.910 1.00 0.00 C ATOM 574 CD1 TYR A 100 16.765 -1.834 0.989 1.00 0.00 C ATOM 575 CD2 TYR A 100 15.276 -0.632 2.409 1.00 0.00 C ATOM 576 CE1 TYR A 100 17.340 -0.646 0.579 1.00 0.00 C ATOM 577 CE2 TYR A 100 15.843 0.561 2.004 1.00 0.00 C ATOM 578 CZ TYR A 100 16.875 0.548 1.088 1.00 0.00 C ATOM 579 OH TYR A 100 17.445 1.734 0.683 1.00 0.00 O ATOM 0 H TYR A 100 14.163 -2.101 0.282 1.00 0.00 H new ATOM 0 HA TYR A 100 15.263 -4.487 0.681 1.00 0.00 H new ATOM 0 HB2 TYR A 100 14.333 -2.939 3.101 1.00 0.00 H new ATOM 0 HB3 TYR A 100 15.860 -3.760 2.845 1.00 0.00 H new ATOM 0 HD1 TYR A 100 17.130 -2.767 0.587 1.00 0.00 H new ATOM 0 HD2 TYR A 100 14.469 -0.619 3.127 1.00 0.00 H new ATOM 0 HE1 TYR A 100 18.149 -0.653 -0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 100 15.481 1.498 2.402 1.00 0.00 H new ATOM 0 HH TYR A 100 17.001 2.482 1.135 1.00 0.00 H new ATOM 589 N LYS A 101 12.547 -4.498 2.577 1.00 0.00 N ATOM 590 CA LYS A 101 11.542 -5.367 3.178 1.00 0.00 C ATOM 591 C LYS A 101 10.595 -5.920 2.117 1.00 0.00 C ATOM 592 O LYS A 101 10.039 -7.006 2.272 1.00 0.00 O ATOM 593 CB LYS A 101 10.746 -4.604 4.239 1.00 0.00 C ATOM 594 CG LYS A 101 11.616 -3.803 5.192 1.00 0.00 C ATOM 595 CD LYS A 101 12.489 -4.708 6.044 1.00 0.00 C ATOM 596 CE LYS A 101 11.727 -5.251 7.243 1.00 0.00 C ATOM 597 NZ LYS A 101 10.992 -6.503 6.912 1.00 0.00 N ATOM 0 H LYS A 101 12.456 -3.513 2.827 1.00 0.00 H new ATOM 0 HA LYS A 101 12.058 -6.203 3.651 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.049 -3.929 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.150 -5.313 4.813 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.246 -3.119 4.623 1.00 0.00 H new ATOM 0 HG3 LYS A 101 10.984 -3.193 5.837 1.00 0.00 H new ATOM 0 HD2 LYS A 101 12.855 -5.537 5.438 1.00 0.00 H new ATOM 0 HD3 LYS A 101 13.363 -4.154 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 101 12.423 -5.444 8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 101 11.022 -4.499 7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 9.968 -6.335 6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.223 -6.795 5.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.271 -7.255 7.575 1.00 0.00 H new ATOM 611 N GLY A 102 10.419 -5.164 1.037 1.00 0.00 N ATOM 612 CA GLY A 102 9.540 -5.596 -0.035 1.00 0.00 C ATOM 613 C GLY A 102 8.123 -5.086 0.136 1.00 0.00 C ATOM 614 O GLY A 102 7.164 -5.744 -0.267 1.00 0.00 O ATOM 0 H GLY A 102 10.869 -4.261 0.885 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.936 -5.247 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.529 -6.685 -0.075 1.00 0.00 H new ATOM 618 N THR A 103 7.988 -3.908 0.738 1.00 0.00 N ATOM 619 CA THR A 103 6.678 -3.311 0.965 1.00 0.00 C ATOM 620 C THR A 103 6.690 -1.821 0.640 1.00 0.00 C ATOM 621 O THR A 103 7.746 -1.191 0.611 1.00 0.00 O ATOM 622 CB THR A 103 6.218 -3.503 2.422 1.00 0.00 C ATOM 623 OG1 THR A 103 7.062 -2.758 3.306 1.00 0.00 O ATOM 624 CG2 THR A 103 6.244 -4.975 2.807 1.00 0.00 C ATOM 0 H THR A 103 8.771 -3.349 1.077 1.00 0.00 H new ATOM 0 HA THR A 103 5.979 -3.820 0.301 1.00 0.00 H new ATOM 0 HB THR A 103 5.194 -3.139 2.507 1.00 0.00 H new ATOM 0 HG1 THR A 103 6.543 -2.042 3.728 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.915 -5.087 3.840 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.577 -5.534 2.151 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.259 -5.360 2.706 1.00 0.00 H new ATOM 632 N ALA A 104 5.508 -1.264 0.398 1.00 0.00 N ATOM 633 CA ALA A 104 5.382 0.153 0.079 1.00 0.00 C ATOM 634 C ALA A 104 4.203 0.779 0.815 1.00 0.00 C ATOM 635 O ALA A 104 3.101 0.228 0.826 1.00 0.00 O ATOM 636 CB ALA A 104 5.230 0.343 -1.423 1.00 0.00 C ATOM 0 H ALA A 104 4.624 -1.772 0.417 1.00 0.00 H new ATOM 0 HA ALA A 104 6.291 0.657 0.409 1.00 0.00 H new ATOM 0 HB1 ALA A 104 5.137 1.405 -1.648 1.00 0.00 H new ATOM 0 HB2 ALA A 104 6.106 -0.060 -1.931 1.00 0.00 H new ATOM 0 HB3 ALA A 104 4.338 -0.180 -1.768 1.00 0.00 H new ATOM 642 N PHE A 105 4.441 1.932 1.431 1.00 0.00 N ATOM 643 CA PHE A 105 3.398 2.633 2.171 1.00 0.00 C ATOM 644 C PHE A 105 3.067 3.969 1.513 1.00 0.00 C ATOM 645 O PHE A 105 3.941 4.815 1.324 1.00 0.00 O ATOM 646 CB PHE A 105 3.837 2.860 3.619 1.00 0.00 C ATOM 647 CG PHE A 105 4.171 1.592 4.351 1.00 0.00 C ATOM 648 CD1 PHE A 105 3.181 0.865 4.991 1.00 0.00 C ATOM 649 CD2 PHE A 105 5.476 1.127 4.398 1.00 0.00 C ATOM 650 CE1 PHE A 105 3.486 -0.303 5.666 1.00 0.00 C ATOM 651 CE2 PHE A 105 5.787 -0.040 5.071 1.00 0.00 C ATOM 652 CZ PHE A 105 4.790 -0.756 5.705 1.00 0.00 C ATOM 0 H PHE A 105 5.347 2.401 1.433 1.00 0.00 H new ATOM 0 HA PHE A 105 2.502 2.013 2.162 1.00 0.00 H new ATOM 0 HB2 PHE A 105 4.708 3.515 3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.042 3.380 4.154 1.00 0.00 H new ATOM 0 HD1 PHE A 105 2.159 1.214 4.963 1.00 0.00 H new ATOM 0 HD2 PHE A 105 6.259 1.683 3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.705 -0.860 6.162 1.00 0.00 H new ATOM 0 HE2 PHE A 105 6.808 -0.391 5.101 1.00 0.00 H new ATOM 0 HZ PHE A 105 5.030 -1.669 6.230 1.00 0.00 H new ATOM 662 N VAL A 106 1.797 4.151 1.164 1.00 0.00 N ATOM 663 CA VAL A 106 1.348 5.383 0.526 1.00 0.00 C ATOM 664 C VAL A 106 0.183 6.003 1.289 1.00 0.00 C ATOM 665 O VAL A 106 -0.699 5.297 1.780 1.00 0.00 O ATOM 666 CB VAL A 106 0.921 5.137 -0.933 1.00 0.00 C ATOM 667 CG1 VAL A 106 0.607 6.453 -1.627 1.00 0.00 C ATOM 668 CG2 VAL A 106 2.002 4.373 -1.683 1.00 0.00 C ATOM 0 H VAL A 106 1.061 3.461 1.312 1.00 0.00 H new ATOM 0 HA VAL A 106 2.193 6.072 0.537 1.00 0.00 H new ATOM 0 HB VAL A 106 0.015 4.531 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.307 6.259 -2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.204 6.957 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.493 7.088 -1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.683 4.208 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.926 4.951 -1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 106 2.172 3.412 -1.197 1.00 0.00 H new ATOM 678 N THR A 107 0.183 7.329 1.383 1.00 0.00 N ATOM 679 CA THR A 107 -0.873 8.046 2.086 1.00 0.00 C ATOM 680 C THR A 107 -1.669 8.928 1.130 1.00 0.00 C ATOM 681 O THR A 107 -1.120 9.835 0.504 1.00 0.00 O ATOM 682 CB THR A 107 -0.302 8.920 3.218 1.00 0.00 C ATOM 683 OG1 THR A 107 0.710 8.200 3.930 1.00 0.00 O ATOM 684 CG2 THR A 107 -1.401 9.344 4.181 1.00 0.00 C ATOM 0 H THR A 107 0.903 7.928 0.981 1.00 0.00 H new ATOM 0 HA THR A 107 -1.533 7.293 2.517 1.00 0.00 H new ATOM 0 HB THR A 107 0.134 9.814 2.772 1.00 0.00 H new ATOM 0 HG1 THR A 107 1.069 8.763 4.647 1.00 0.00 H new ATOM 0 HG21 THR A 107 -0.974 9.960 4.972 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.156 9.917 3.642 1.00 0.00 H new ATOM 0 HG23 THR A 107 -1.862 8.459 4.620 1.00 0.00 H new ATOM 692 N LEU A 108 -2.965 8.657 1.024 1.00 0.00 N ATOM 693 CA LEU A 108 -3.838 9.428 0.144 1.00 0.00 C ATOM 694 C LEU A 108 -4.570 10.517 0.922 1.00 0.00 C ATOM 695 O LEU A 108 -4.468 10.596 2.147 1.00 0.00 O ATOM 696 CB LEU A 108 -4.849 8.506 -0.539 1.00 0.00 C ATOM 697 CG LEU A 108 -4.347 7.755 -1.772 1.00 0.00 C ATOM 698 CD1 LEU A 108 -5.243 6.564 -2.074 1.00 0.00 C ATOM 699 CD2 LEU A 108 -4.275 8.689 -2.972 1.00 0.00 C ATOM 0 H LEU A 108 -3.435 7.910 1.536 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.219 9.904 -0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -5.194 7.774 0.191 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.715 9.101 -0.829 1.00 0.00 H new ATOM 0 HG LEU A 108 -3.343 7.384 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -4.870 6.042 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.244 5.884 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -6.259 6.911 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.916 8.138 -3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -5.267 9.090 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.591 9.509 -2.754 1.00 0.00 H new ATOM 711 N LEU A 109 -5.309 11.355 0.203 1.00 0.00 N ATOM 712 CA LEU A 109 -6.060 12.439 0.825 1.00 0.00 C ATOM 713 C LEU A 109 -7.145 11.891 1.746 1.00 0.00 C ATOM 714 O LEU A 109 -7.029 11.962 2.969 1.00 0.00 O ATOM 715 CB LEU A 109 -6.688 13.331 -0.247 1.00 0.00 C ATOM 716 CG LEU A 109 -7.764 14.305 0.235 1.00 0.00 C ATOM 717 CD1 LEU A 109 -7.140 15.431 1.045 1.00 0.00 C ATOM 718 CD2 LEU A 109 -8.546 14.864 -0.944 1.00 0.00 C ATOM 0 H LEU A 109 -5.404 11.304 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 109 -5.367 13.032 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.894 13.905 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -7.123 12.691 -1.014 1.00 0.00 H new ATOM 0 HG LEU A 109 -8.456 13.762 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -7.921 16.114 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -6.626 15.015 1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -6.425 15.972 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.307 15.555 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.867 15.391 -1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.025 14.047 -1.483 1.00 0.00 H new ATOM 730 N ASN A 110 -8.199 11.342 1.150 1.00 0.00 N ATOM 731 CA ASN A 110 -9.304 10.780 1.917 1.00 0.00 C ATOM 732 C ASN A 110 -9.236 9.256 1.933 1.00 0.00 C ATOM 733 O ASN A 110 -8.287 8.661 1.423 1.00 0.00 O ATOM 734 CB ASN A 110 -10.643 11.235 1.332 1.00 0.00 C ATOM 735 CG ASN A 110 -10.764 10.920 -0.147 1.00 0.00 C ATOM 736 OD1 ASN A 110 -10.794 9.755 -0.544 1.00 0.00 O ATOM 737 ND2 ASN A 110 -10.833 11.960 -0.970 1.00 0.00 N ATOM 0 H ASN A 110 -8.311 11.275 0.138 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.221 11.141 2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -11.456 10.750 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.756 12.309 1.483 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -10.915 11.810 -1.976 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -10.805 12.909 -0.596 1.00 0.00 H new ATOM 744 N GLY A 111 -10.250 8.629 2.523 1.00 0.00 N ATOM 745 CA GLY A 111 -10.285 7.180 2.594 1.00 0.00 C ATOM 746 C GLY A 111 -10.863 6.552 1.341 1.00 0.00 C ATOM 747 O GLY A 111 -10.590 5.391 1.038 1.00 0.00 O ATOM 0 H GLY A 111 -11.047 9.099 2.953 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -9.275 6.803 2.753 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.878 6.876 3.456 1.00 0.00 H new ATOM 751 N GLU A 112 -11.666 7.321 0.611 1.00 0.00 N ATOM 752 CA GLU A 112 -12.285 6.831 -0.614 1.00 0.00 C ATOM 753 C GLU A 112 -11.227 6.372 -1.613 1.00 0.00 C ATOM 754 O GLU A 112 -11.347 5.304 -2.212 1.00 0.00 O ATOM 755 CB GLU A 112 -13.157 7.921 -1.243 1.00 0.00 C ATOM 756 CG GLU A 112 -14.242 8.442 -0.316 1.00 0.00 C ATOM 757 CD GLU A 112 -15.479 7.564 -0.314 1.00 0.00 C ATOM 758 OE1 GLU A 112 -15.918 7.155 -1.408 1.00 0.00 O ATOM 759 OE2 GLU A 112 -16.006 7.286 0.784 1.00 0.00 O ATOM 0 H GLU A 112 -11.902 8.285 0.847 1.00 0.00 H new ATOM 0 HA GLU A 112 -12.912 5.977 -0.357 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.521 8.752 -1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -13.621 7.527 -2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -13.847 8.509 0.698 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -14.518 9.452 -0.618 1.00 0.00 H new ATOM 766 N GLN A 113 -10.192 7.188 -1.787 1.00 0.00 N ATOM 767 CA GLN A 113 -9.114 6.867 -2.714 1.00 0.00 C ATOM 768 C GLN A 113 -8.323 5.655 -2.230 1.00 0.00 C ATOM 769 O GLN A 113 -7.955 4.787 -3.021 1.00 0.00 O ATOM 770 CB GLN A 113 -8.180 8.067 -2.879 1.00 0.00 C ATOM 771 CG GLN A 113 -8.903 9.356 -3.237 1.00 0.00 C ATOM 772 CD GLN A 113 -7.983 10.561 -3.235 1.00 0.00 C ATOM 773 OE1 GLN A 113 -6.816 10.465 -2.851 1.00 0.00 O ATOM 774 NE2 GLN A 113 -8.503 11.704 -3.665 1.00 0.00 N ATOM 0 H GLN A 113 -10.078 8.076 -1.298 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.559 6.626 -3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -7.626 8.216 -1.952 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -7.448 7.843 -3.655 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.357 9.252 -4.223 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -9.714 9.522 -2.528 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -9.475 11.738 -3.974 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -7.931 12.548 -3.687 1.00 0.00 H new ATOM 783 N ALA A 114 -8.066 5.605 -0.928 1.00 0.00 N ATOM 784 CA ALA A 114 -7.321 4.499 -0.339 1.00 0.00 C ATOM 785 C ALA A 114 -8.048 3.175 -0.546 1.00 0.00 C ATOM 786 O ALA A 114 -7.435 2.168 -0.900 1.00 0.00 O ATOM 787 CB ALA A 114 -7.088 4.749 1.144 1.00 0.00 C ATOM 0 H ALA A 114 -8.362 6.317 -0.261 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.356 4.436 -0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -6.531 3.915 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.519 5.670 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -8.048 4.842 1.653 1.00 0.00 H new ATOM 793 N GLU A 115 -9.359 3.183 -0.321 1.00 0.00 N ATOM 794 CA GLU A 115 -10.169 1.981 -0.482 1.00 0.00 C ATOM 795 C GLU A 115 -10.234 1.562 -1.948 1.00 0.00 C ATOM 796 O GLU A 115 -10.098 0.383 -2.273 1.00 0.00 O ATOM 797 CB GLU A 115 -11.581 2.216 0.057 1.00 0.00 C ATOM 798 CG GLU A 115 -12.580 1.155 -0.373 1.00 0.00 C ATOM 799 CD GLU A 115 -13.710 0.979 0.624 1.00 0.00 C ATOM 800 OE1 GLU A 115 -13.492 0.308 1.654 1.00 0.00 O ATOM 801 OE2 GLU A 115 -14.811 1.512 0.373 1.00 0.00 O ATOM 0 H GLU A 115 -9.882 4.008 -0.027 1.00 0.00 H new ATOM 0 HA GLU A 115 -9.700 1.178 0.087 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -11.545 2.249 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -11.932 3.191 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -12.996 1.425 -1.344 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -12.062 0.204 -0.501 1.00 0.00 H new ATOM 808 N ALA A 116 -10.445 2.535 -2.827 1.00 0.00 N ATOM 809 CA ALA A 116 -10.528 2.268 -4.258 1.00 0.00 C ATOM 810 C ALA A 116 -9.229 1.662 -4.779 1.00 0.00 C ATOM 811 O ALA A 116 -9.245 0.684 -5.524 1.00 0.00 O ATOM 812 CB ALA A 116 -10.858 3.546 -5.015 1.00 0.00 C ATOM 0 H ALA A 116 -10.562 3.516 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.327 1.545 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.917 3.332 -6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -11.815 3.936 -4.670 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -10.078 4.287 -4.836 1.00 0.00 H new ATOM 818 N ALA A 117 -8.106 2.251 -4.382 1.00 0.00 N ATOM 819 CA ALA A 117 -6.798 1.768 -4.808 1.00 0.00 C ATOM 820 C ALA A 117 -6.517 0.378 -4.248 1.00 0.00 C ATOM 821 O ALA A 117 -6.022 -0.498 -4.957 1.00 0.00 O ATOM 822 CB ALA A 117 -5.711 2.742 -4.381 1.00 0.00 C ATOM 0 H ALA A 117 -8.076 3.063 -3.766 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.800 1.698 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -4.740 2.369 -4.706 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.896 3.715 -4.835 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -5.717 2.841 -3.296 1.00 0.00 H new ATOM 828 N ILE A 118 -6.834 0.185 -2.972 1.00 0.00 N ATOM 829 CA ILE A 118 -6.615 -1.099 -2.317 1.00 0.00 C ATOM 830 C ILE A 118 -7.512 -2.179 -2.912 1.00 0.00 C ATOM 831 O ILE A 118 -7.085 -3.317 -3.104 1.00 0.00 O ATOM 832 CB ILE A 118 -6.875 -1.009 -0.802 1.00 0.00 C ATOM 833 CG1 ILE A 118 -5.794 -0.163 -0.126 1.00 0.00 C ATOM 834 CG2 ILE A 118 -6.925 -2.401 -0.190 1.00 0.00 C ATOM 835 CD1 ILE A 118 -6.157 0.275 1.275 1.00 0.00 C ATOM 0 H ILE A 118 -7.243 0.901 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 118 -5.571 -1.365 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 118 -7.840 -0.528 -0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -4.866 -0.734 -0.090 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -5.601 0.720 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -7.109 -2.321 0.881 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -7.727 -2.974 -0.655 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -5.974 -2.907 -0.358 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -5.345 0.870 1.692 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -7.067 0.874 1.245 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -6.321 -0.603 1.900 1.00 0.00 H new ATOM 847 N ASN A 119 -8.756 -1.814 -3.204 1.00 0.00 N ATOM 848 CA ASN A 119 -9.713 -2.752 -3.779 1.00 0.00 C ATOM 849 C ASN A 119 -9.166 -3.370 -5.062 1.00 0.00 C ATOM 850 O ASN A 119 -9.232 -4.584 -5.258 1.00 0.00 O ATOM 851 CB ASN A 119 -11.041 -2.047 -4.065 1.00 0.00 C ATOM 852 CG ASN A 119 -12.227 -2.987 -3.969 1.00 0.00 C ATOM 853 OD1 ASN A 119 -12.111 -4.181 -4.249 1.00 0.00 O ATOM 854 ND2 ASN A 119 -13.375 -2.452 -3.571 1.00 0.00 N ATOM 0 H ASN A 119 -9.125 -0.875 -3.052 1.00 0.00 H new ATOM 0 HA ASN A 119 -9.881 -3.550 -3.056 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -11.173 -1.227 -3.359 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -11.009 -1.608 -5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -14.207 -3.035 -3.487 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -13.425 -1.458 -3.349 1.00 0.00 H new ATOM 861 N THR A 120 -8.623 -2.525 -5.934 1.00 0.00 N ATOM 862 CA THR A 120 -8.065 -2.987 -7.199 1.00 0.00 C ATOM 863 C THR A 120 -6.692 -3.619 -6.996 1.00 0.00 C ATOM 864 O THR A 120 -6.424 -4.715 -7.487 1.00 0.00 O ATOM 865 CB THR A 120 -7.942 -1.834 -8.213 1.00 0.00 C ATOM 866 OG1 THR A 120 -9.223 -1.230 -8.426 1.00 0.00 O ATOM 867 CG2 THR A 120 -7.385 -2.335 -9.537 1.00 0.00 C ATOM 0 H THR A 120 -8.558 -1.518 -5.787 1.00 0.00 H new ATOM 0 HA THR A 120 -8.752 -3.736 -7.593 1.00 0.00 H new ATOM 0 HB THR A 120 -7.255 -1.093 -7.805 1.00 0.00 H new ATOM 0 HG1 THR A 120 -9.136 -0.497 -9.070 1.00 0.00 H new ATOM 0 HG21 THR A 120 -7.307 -1.503 -10.237 1.00 0.00 H new ATOM 0 HG22 THR A 120 -6.397 -2.767 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 120 -8.051 -3.094 -9.948 1.00 0.00 H new ATOM 875 N PHE A 121 -5.827 -2.921 -6.268 1.00 0.00 N ATOM 876 CA PHE A 121 -4.481 -3.413 -6.000 1.00 0.00 C ATOM 877 C PHE A 121 -4.526 -4.713 -5.202 1.00 0.00 C ATOM 878 O PHE A 121 -3.586 -5.508 -5.234 1.00 0.00 O ATOM 879 CB PHE A 121 -3.672 -2.362 -5.238 1.00 0.00 C ATOM 880 CG PHE A 121 -3.653 -1.018 -5.908 1.00 0.00 C ATOM 881 CD1 PHE A 121 -3.882 -0.905 -7.270 1.00 0.00 C ATOM 882 CD2 PHE A 121 -3.407 0.132 -5.176 1.00 0.00 C ATOM 883 CE1 PHE A 121 -3.864 0.330 -7.889 1.00 0.00 C ATOM 884 CE2 PHE A 121 -3.389 1.371 -5.790 1.00 0.00 C ATOM 885 CZ PHE A 121 -3.619 1.470 -7.148 1.00 0.00 C ATOM 0 H PHE A 121 -6.034 -2.013 -5.853 1.00 0.00 H new ATOM 0 HA PHE A 121 -3.997 -3.610 -6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 121 -4.086 -2.253 -4.235 1.00 0.00 H new ATOM 0 HB3 PHE A 121 -2.648 -2.716 -5.123 1.00 0.00 H new ATOM 0 HD1 PHE A 121 -4.077 -1.792 -7.854 1.00 0.00 H new ATOM 0 HD2 PHE A 121 -3.227 0.060 -4.114 1.00 0.00 H new ATOM 0 HE1 PHE A 121 -4.041 0.404 -8.952 1.00 0.00 H new ATOM 0 HE2 PHE A 121 -3.195 2.260 -5.208 1.00 0.00 H new ATOM 0 HZ PHE A 121 -3.607 2.437 -7.630 1.00 0.00 H new ATOM 895 N HIS A 122 -5.627 -4.923 -4.487 1.00 0.00 N ATOM 896 CA HIS A 122 -5.796 -6.126 -3.680 1.00 0.00 C ATOM 897 C HIS A 122 -6.007 -7.350 -4.567 1.00 0.00 C ATOM 898 O HIS A 122 -6.214 -7.224 -5.773 1.00 0.00 O ATOM 899 CB HIS A 122 -6.980 -5.964 -2.726 1.00 0.00 C ATOM 900 CG HIS A 122 -7.517 -7.263 -2.211 1.00 0.00 C ATOM 901 ND1 HIS A 122 -8.651 -7.863 -2.718 1.00 0.00 N ATOM 902 CD2 HIS A 122 -7.069 -8.080 -1.229 1.00 0.00 C ATOM 903 CE1 HIS A 122 -8.878 -8.991 -2.070 1.00 0.00 C ATOM 904 NE2 HIS A 122 -7.931 -9.147 -1.161 1.00 0.00 N ATOM 0 H HIS A 122 -6.415 -4.276 -4.450 1.00 0.00 H new ATOM 0 HA HIS A 122 -4.887 -6.273 -3.097 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -6.673 -5.347 -1.881 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -7.779 -5.428 -3.239 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -6.196 -7.922 -0.613 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -9.698 -9.670 -2.252 1.00 0.00 H new ATOM 0 HE2 HIS A 122 -7.853 -9.932 -0.514 1.00 0.00 H new ATOM 913 N GLN A 123 -5.952 -8.531 -3.960 1.00 0.00 N ATOM 914 CA GLN A 123 -6.135 -9.777 -4.696 1.00 0.00 C ATOM 915 C GLN A 123 -5.570 -9.663 -6.108 1.00 0.00 C ATOM 916 O GLN A 123 -6.115 -10.233 -7.053 1.00 0.00 O ATOM 917 CB GLN A 123 -7.619 -10.144 -4.756 1.00 0.00 C ATOM 918 CG GLN A 123 -8.493 -9.051 -5.349 1.00 0.00 C ATOM 919 CD GLN A 123 -8.402 -8.987 -6.861 1.00 0.00 C ATOM 920 OE1 GLN A 123 -8.584 -10.129 -7.514 1.00 0.00 O flip ATOM 921 NE2 GLN A 123 -8.171 -7.924 -7.436 1.00 0.00 N flip ATOM 0 H GLN A 123 -5.782 -8.652 -2.961 1.00 0.00 H new ATOM 0 HA GLN A 123 -5.594 -10.564 -4.170 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -7.736 -11.052 -5.347 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -7.969 -10.372 -3.749 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.529 -9.222 -5.058 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.199 -8.089 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -8.038 -7.070 -6.895 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -8.113 -7.897 -8.454 1.00 0.00 H new ATOM 930 N SER A 124 -4.474 -8.923 -6.243 1.00 0.00 N ATOM 931 CA SER A 124 -3.836 -8.732 -7.541 1.00 0.00 C ATOM 932 C SER A 124 -2.627 -9.649 -7.693 1.00 0.00 C ATOM 933 O SER A 124 -2.309 -10.429 -6.795 1.00 0.00 O ATOM 934 CB SER A 124 -3.409 -7.273 -7.712 1.00 0.00 C ATOM 935 OG SER A 124 -2.370 -6.937 -6.808 1.00 0.00 O ATOM 0 H SER A 124 -4.009 -8.446 -5.470 1.00 0.00 H new ATOM 0 HA SER A 124 -4.560 -8.985 -8.315 1.00 0.00 H new ATOM 0 HB2 SER A 124 -3.073 -7.107 -8.735 1.00 0.00 H new ATOM 0 HB3 SER A 124 -4.265 -6.618 -7.547 1.00 0.00 H new ATOM 0 HG SER A 124 -2.758 -6.650 -5.955 1.00 0.00 H new ATOM 941 N ARG A 125 -1.958 -9.551 -8.837 1.00 0.00 N ATOM 942 CA ARG A 125 -0.785 -10.372 -9.109 1.00 0.00 C ATOM 943 C ARG A 125 0.283 -9.568 -9.845 1.00 0.00 C ATOM 944 O ARG A 125 -0.027 -8.621 -10.569 1.00 0.00 O ATOM 945 CB ARG A 125 -1.175 -11.598 -9.936 1.00 0.00 C ATOM 946 CG ARG A 125 -2.141 -12.531 -9.224 1.00 0.00 C ATOM 947 CD ARG A 125 -2.401 -13.790 -10.036 1.00 0.00 C ATOM 948 NE ARG A 125 -3.336 -13.551 -11.132 1.00 0.00 N ATOM 949 CZ ARG A 125 -2.971 -13.082 -12.320 1.00 0.00 C ATOM 950 NH1 ARG A 125 -1.698 -12.803 -12.564 1.00 0.00 N ATOM 951 NH2 ARG A 125 -3.881 -12.891 -13.267 1.00 0.00 N ATOM 0 H ARG A 125 -2.209 -8.911 -9.591 1.00 0.00 H new ATOM 0 HA ARG A 125 -0.374 -10.701 -8.155 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.626 -11.266 -10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -0.273 -12.152 -10.196 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -1.735 -12.803 -8.250 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.083 -12.013 -9.043 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -1.459 -14.163 -10.438 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -2.799 -14.567 -9.383 1.00 0.00 H new ATOM 0 HE ARG A 125 -4.323 -13.755 -10.977 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -0.996 -12.948 -11.839 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -1.421 -12.443 -13.477 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -4.861 -13.104 -13.083 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -3.600 -12.531 -14.179 1.00 0.00 H new ATOM 965 N LEU A 126 1.541 -9.951 -9.655 1.00 0.00 N ATOM 966 CA LEU A 126 2.655 -9.266 -10.300 1.00 0.00 C ATOM 967 C LEU A 126 3.807 -10.230 -10.565 1.00 0.00 C ATOM 968 O LEU A 126 4.277 -10.916 -9.657 1.00 0.00 O ATOM 969 CB LEU A 126 3.138 -8.104 -9.430 1.00 0.00 C ATOM 970 CG LEU A 126 4.399 -7.385 -9.910 1.00 0.00 C ATOM 971 CD1 LEU A 126 4.101 -6.554 -11.149 1.00 0.00 C ATOM 972 CD2 LEU A 126 4.968 -6.509 -8.803 1.00 0.00 C ATOM 0 H LEU A 126 1.815 -10.732 -9.059 1.00 0.00 H new ATOM 0 HA LEU A 126 2.305 -8.875 -11.255 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.333 -7.373 -9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.320 -8.481 -8.424 1.00 0.00 H new ATOM 0 HG LEU A 126 5.145 -8.136 -10.171 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.010 -6.050 -11.476 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.740 -7.205 -11.946 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.339 -5.811 -10.914 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.865 -6.005 -9.163 1.00 0.00 H new ATOM 0 HD22 LEU A 126 4.227 -5.765 -8.510 1.00 0.00 H new ATOM 0 HD23 LEU A 126 5.220 -7.128 -7.942 1.00 0.00 H new ATOM 984 N ARG A 127 4.260 -10.275 -11.814 1.00 0.00 N ATOM 985 CA ARG A 127 5.357 -11.154 -12.198 1.00 0.00 C ATOM 986 C ARG A 127 5.065 -12.596 -11.795 1.00 0.00 C ATOM 987 O ARG A 127 5.962 -13.327 -11.376 1.00 0.00 O ATOM 988 CB ARG A 127 6.663 -10.687 -11.552 1.00 0.00 C ATOM 989 CG ARG A 127 7.295 -9.493 -12.249 1.00 0.00 C ATOM 990 CD ARG A 127 8.134 -9.924 -13.441 1.00 0.00 C ATOM 991 NE ARG A 127 8.177 -8.898 -14.480 1.00 0.00 N ATOM 992 CZ ARG A 127 8.801 -9.055 -15.642 1.00 0.00 C ATOM 993 NH1 ARG A 127 9.431 -10.190 -15.912 1.00 0.00 N ATOM 994 NH2 ARG A 127 8.795 -8.075 -16.537 1.00 0.00 N ATOM 0 H ARG A 127 3.884 -9.712 -12.577 1.00 0.00 H new ATOM 0 HA ARG A 127 5.460 -11.112 -13.282 1.00 0.00 H new ATOM 0 HB2 ARG A 127 6.471 -10.429 -10.510 1.00 0.00 H new ATOM 0 HB3 ARG A 127 7.373 -11.514 -11.550 1.00 0.00 H new ATOM 0 HG2 ARG A 127 6.514 -8.809 -12.581 1.00 0.00 H new ATOM 0 HG3 ARG A 127 7.919 -8.946 -11.542 1.00 0.00 H new ATOM 0 HD2 ARG A 127 9.148 -10.146 -13.109 1.00 0.00 H new ATOM 0 HD3 ARG A 127 7.726 -10.845 -13.858 1.00 0.00 H new ATOM 0 HE ARG A 127 7.702 -8.013 -14.304 1.00 0.00 H new ATOM 0 HH11 ARG A 127 9.437 -10.945 -15.227 1.00 0.00 H new ATOM 0 HH12 ARG A 127 9.909 -10.308 -16.805 1.00 0.00 H new ATOM 0 HH21 ARG A 127 8.311 -7.201 -16.333 1.00 0.00 H new ATOM 0 HH22 ARG A 127 9.274 -8.196 -17.429 1.00 0.00 H new ATOM 1008 N GLU A 128 3.805 -12.998 -11.926 1.00 0.00 N ATOM 1009 CA GLU A 128 3.395 -14.352 -11.574 1.00 0.00 C ATOM 1010 C GLU A 128 3.561 -14.599 -10.077 1.00 0.00 C ATOM 1011 O GLU A 128 4.177 -15.582 -9.664 1.00 0.00 O ATOM 1012 CB GLU A 128 4.211 -15.377 -12.364 1.00 0.00 C ATOM 1013 CG GLU A 128 4.152 -15.173 -13.869 1.00 0.00 C ATOM 1014 CD GLU A 128 4.440 -16.445 -14.642 1.00 0.00 C ATOM 1015 OE1 GLU A 128 5.489 -17.072 -14.382 1.00 0.00 O ATOM 1016 OE2 GLU A 128 3.619 -16.814 -15.507 1.00 0.00 O ATOM 0 H GLU A 128 3.051 -12.406 -12.273 1.00 0.00 H new ATOM 0 HA GLU A 128 2.341 -14.463 -11.829 1.00 0.00 H new ATOM 0 HB2 GLU A 128 5.251 -15.329 -12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 128 3.849 -16.377 -12.127 1.00 0.00 H new ATOM 0 HG2 GLU A 128 3.165 -14.802 -14.143 1.00 0.00 H new ATOM 0 HG3 GLU A 128 4.872 -14.407 -14.156 1.00 0.00 H new ATOM 1023 N ARG A 129 3.007 -13.700 -9.270 1.00 0.00 N ATOM 1024 CA ARG A 129 3.095 -13.819 -7.820 1.00 0.00 C ATOM 1025 C ARG A 129 1.887 -13.173 -7.148 1.00 0.00 C ATOM 1026 O ARG A 129 1.353 -12.177 -7.635 1.00 0.00 O ATOM 1027 CB ARG A 129 4.383 -13.169 -7.310 1.00 0.00 C ATOM 1028 CG ARG A 129 4.224 -11.701 -6.952 1.00 0.00 C ATOM 1029 CD ARG A 129 3.739 -11.526 -5.521 1.00 0.00 C ATOM 1030 NE ARG A 129 4.836 -11.592 -4.559 1.00 0.00 N ATOM 1031 CZ ARG A 129 5.193 -12.704 -3.927 1.00 0.00 C ATOM 1032 NH1 ARG A 129 4.542 -13.837 -4.153 1.00 0.00 N ATOM 1033 NH2 ARG A 129 6.202 -12.685 -3.066 1.00 0.00 N ATOM 0 H ARG A 129 2.493 -12.882 -9.596 1.00 0.00 H new ATOM 0 HA ARG A 129 3.107 -14.879 -7.568 1.00 0.00 H new ATOM 0 HB2 ARG A 129 4.731 -13.713 -6.432 1.00 0.00 H new ATOM 0 HB3 ARG A 129 5.156 -13.267 -8.072 1.00 0.00 H new ATOM 0 HG2 ARG A 129 5.178 -11.189 -7.079 1.00 0.00 H new ATOM 0 HG3 ARG A 129 3.517 -11.233 -7.637 1.00 0.00 H new ATOM 0 HD2 ARG A 129 3.230 -10.567 -5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 129 3.007 -12.299 -5.289 1.00 0.00 H new ATOM 0 HE ARG A 129 5.356 -10.737 -4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 129 3.765 -13.856 -4.814 1.00 0.00 H new ATOM 0 HH12 ARG A 129 4.818 -14.690 -3.666 1.00 0.00 H new ATOM 0 HH21 ARG A 129 6.705 -11.815 -2.889 1.00 0.00 H new ATOM 0 HH22 ARG A 129 6.475 -13.540 -2.581 1.00 0.00 H new ATOM 1047 N GLU A 130 1.461 -13.748 -6.027 1.00 0.00 N ATOM 1048 CA GLU A 130 0.315 -13.229 -5.290 1.00 0.00 C ATOM 1049 C GLU A 130 0.720 -12.042 -4.421 1.00 0.00 C ATOM 1050 O GLU A 130 1.621 -12.147 -3.587 1.00 0.00 O ATOM 1051 CB GLU A 130 -0.299 -14.327 -4.419 1.00 0.00 C ATOM 1052 CG GLU A 130 -1.558 -13.892 -3.689 1.00 0.00 C ATOM 1053 CD GLU A 130 -2.801 -14.006 -4.551 1.00 0.00 C ATOM 1054 OE1 GLU A 130 -2.732 -13.640 -5.743 1.00 0.00 O ATOM 1055 OE2 GLU A 130 -3.842 -14.462 -4.033 1.00 0.00 O ATOM 0 H GLU A 130 1.892 -14.573 -5.610 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.427 -12.891 -6.013 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -0.532 -15.188 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 130 0.440 -14.655 -3.688 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.684 -14.502 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -1.443 -12.860 -3.358 1.00 0.00 H new ATOM 1062 N LEU A 131 0.050 -10.913 -4.623 1.00 0.00 N ATOM 1063 CA LEU A 131 0.339 -9.704 -3.859 1.00 0.00 C ATOM 1064 C LEU A 131 -0.754 -9.437 -2.828 1.00 0.00 C ATOM 1065 O LEU A 131 -1.943 -9.483 -3.143 1.00 0.00 O ATOM 1066 CB LEU A 131 0.475 -8.504 -4.797 1.00 0.00 C ATOM 1067 CG LEU A 131 1.589 -8.591 -5.841 1.00 0.00 C ATOM 1068 CD1 LEU A 131 1.268 -7.710 -7.038 1.00 0.00 C ATOM 1069 CD2 LEU A 131 2.925 -8.197 -5.229 1.00 0.00 C ATOM 0 H LEU A 131 -0.697 -10.809 -5.309 1.00 0.00 H new ATOM 0 HA LEU A 131 1.281 -9.854 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.473 -8.365 -5.317 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.640 -7.612 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 131 1.660 -9.623 -6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.072 -7.785 -7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.333 -8.038 -7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.169 -6.675 -6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 131 3.706 -8.265 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 131 2.867 -7.174 -4.858 1.00 0.00 H new ATOM 0 HD23 LEU A 131 3.160 -8.870 -4.404 1.00 0.00 H new ATOM 1081 N SER A 132 -0.342 -9.156 -1.596 1.00 0.00 N ATOM 1082 CA SER A 132 -1.285 -8.883 -0.518 1.00 0.00 C ATOM 1083 C SER A 132 -1.319 -7.394 -0.190 1.00 0.00 C ATOM 1084 O SER A 132 -0.286 -6.784 0.087 1.00 0.00 O ATOM 1085 CB SER A 132 -0.912 -9.684 0.731 1.00 0.00 C ATOM 1086 OG SER A 132 -1.497 -10.974 0.703 1.00 0.00 O ATOM 0 H SER A 132 0.639 -9.111 -1.320 1.00 0.00 H new ATOM 0 HA SER A 132 -2.277 -9.186 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 132 0.172 -9.774 0.799 1.00 0.00 H new ATOM 0 HB3 SER A 132 -1.244 -9.150 1.622 1.00 0.00 H new ATOM 0 HG SER A 132 -1.242 -11.466 1.511 1.00 0.00 H new ATOM 1092 N VAL A 133 -2.514 -6.813 -0.224 1.00 0.00 N ATOM 1093 CA VAL A 133 -2.684 -5.395 0.071 1.00 0.00 C ATOM 1094 C VAL A 133 -3.764 -5.179 1.125 1.00 0.00 C ATOM 1095 O VAL A 133 -4.821 -5.807 1.082 1.00 0.00 O ATOM 1096 CB VAL A 133 -3.051 -4.599 -1.195 1.00 0.00 C ATOM 1097 CG1 VAL A 133 -2.844 -3.109 -0.968 1.00 0.00 C ATOM 1098 CG2 VAL A 133 -2.235 -5.084 -2.384 1.00 0.00 C ATOM 0 H VAL A 133 -3.379 -7.303 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 133 -1.729 -5.034 0.454 1.00 0.00 H new ATOM 0 HB VAL A 133 -4.106 -4.765 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -3.108 -2.563 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -3.476 -2.775 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -1.799 -2.920 -0.723 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -2.507 -4.511 -3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -1.174 -4.949 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -2.439 -6.140 -2.559 1.00 0.00 H new ATOM 1108 N GLN A 134 -3.490 -4.285 2.070 1.00 0.00 N ATOM 1109 CA GLN A 134 -4.439 -3.986 3.135 1.00 0.00 C ATOM 1110 C GLN A 134 -4.195 -2.593 3.707 1.00 0.00 C ATOM 1111 O GLN A 134 -3.124 -2.013 3.520 1.00 0.00 O ATOM 1112 CB GLN A 134 -4.336 -5.031 4.247 1.00 0.00 C ATOM 1113 CG GLN A 134 -2.975 -5.067 4.924 1.00 0.00 C ATOM 1114 CD GLN A 134 -2.620 -6.445 5.447 1.00 0.00 C ATOM 1115 OE1 GLN A 134 -2.587 -7.419 4.694 1.00 0.00 O ATOM 1116 NE2 GLN A 134 -2.353 -6.535 6.745 1.00 0.00 N ATOM 0 H GLN A 134 -2.619 -3.756 2.119 1.00 0.00 H new ATOM 0 HA GLN A 134 -5.443 -4.014 2.711 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -5.100 -4.828 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -4.552 -6.015 3.831 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -2.212 -4.744 4.216 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -2.965 -4.355 5.750 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -2.392 -5.702 7.333 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -2.109 -7.437 7.154 1.00 0.00 H new ATOM 1125 N LEU A 135 -5.193 -2.061 4.403 1.00 0.00 N ATOM 1126 CA LEU A 135 -5.087 -0.735 5.002 1.00 0.00 C ATOM 1127 C LEU A 135 -3.954 -0.687 6.022 1.00 0.00 C ATOM 1128 O LEU A 135 -3.734 -1.645 6.763 1.00 0.00 O ATOM 1129 CB LEU A 135 -6.408 -0.349 5.671 1.00 0.00 C ATOM 1130 CG LEU A 135 -7.512 0.149 4.738 1.00 0.00 C ATOM 1131 CD1 LEU A 135 -8.858 0.127 5.445 1.00 0.00 C ATOM 1132 CD2 LEU A 135 -7.194 1.550 4.235 1.00 0.00 C ATOM 0 H LEU A 135 -6.085 -2.527 4.567 1.00 0.00 H new ATOM 0 HA LEU A 135 -4.867 -0.021 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 135 -6.783 -1.216 6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 135 -6.205 0.428 6.409 1.00 0.00 H new ATOM 0 HG LEU A 135 -7.565 -0.520 3.879 1.00 0.00 H new ATOM 0 HD11 LEU A 135 -9.632 0.485 4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 135 -9.090 -0.892 5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 135 -8.819 0.773 6.322 1.00 0.00 H new ATOM 0 HD21 LEU A 135 -7.991 1.888 3.572 1.00 0.00 H new ATOM 0 HD22 LEU A 135 -7.113 2.231 5.082 1.00 0.00 H new ATOM 0 HD23 LEU A 135 -6.250 1.535 3.690 1.00 0.00 H new ATOM 1144 N GLN A 136 -3.241 0.434 6.055 1.00 0.00 N ATOM 1145 CA GLN A 136 -2.132 0.606 6.986 1.00 0.00 C ATOM 1146 C GLN A 136 -2.620 0.552 8.430 1.00 0.00 C ATOM 1147 O GLN A 136 -3.726 0.984 8.753 1.00 0.00 O ATOM 1148 CB GLN A 136 -1.421 1.935 6.724 1.00 0.00 C ATOM 1149 CG GLN A 136 -2.212 3.149 7.182 1.00 0.00 C ATOM 1150 CD GLN A 136 -1.322 4.308 7.586 1.00 0.00 C ATOM 1151 OE1 GLN A 136 -1.173 5.279 6.843 1.00 0.00 O ATOM 1152 NE2 GLN A 136 -0.725 4.212 8.768 1.00 0.00 N ATOM 0 H GLN A 136 -3.411 1.236 5.448 1.00 0.00 H new ATOM 0 HA GLN A 136 -1.428 -0.212 6.829 1.00 0.00 H new ATOM 0 HB2 GLN A 136 -0.456 1.928 7.232 1.00 0.00 H new ATOM 0 HB3 GLN A 136 -1.219 2.025 5.657 1.00 0.00 H new ATOM 0 HG2 GLN A 136 -2.876 3.469 6.379 1.00 0.00 H new ATOM 0 HG3 GLN A 136 -2.843 2.869 8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 136 -0.877 3.389 9.351 1.00 0.00 H new ATOM 0 HE22 GLN A 136 -0.114 4.961 9.093 1.00 0.00 H new