USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 960 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 21 THR OG1 : rot -34:sc= -0.989 USER MOD Set 1.2: A 100 GLN : amide:sc= -0.324 K(o=-1.3,f=-0.37) USER MOD Single : A 3 LYS NZ :NH3+ -123:sc= -0.901 (180deg=-2.49!) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 13 ASN : amide:sc= -5.51 K(o=-5.5,f=-16!) USER MOD Single : A 15 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.6!) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 31 ASN : amide:sc= -2.58 K(o=-2.6,f=-3.4!) USER MOD Single : A 32 LYS NZ :NH3+ -177:sc= -1.21 (180deg=-1.31) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -170:sc= -1.25 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0.006) USER MOD Single : A 55 GLN : amide:sc= -0.0309 X(o=-0.031,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0202 USER MOD Single : A 63 GLN : amide:sc= -1.11 K(o=-1.1,f=-5.3!) USER MOD Single : A 64 HIS : no HD1:sc= -19.2! C(o=-19!,f=-18!) USER MOD Single : A 66 SER OG : rot 180:sc= -0.419 USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0773) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -3.39 K(o=-3.4,f=-5.6!) USER MOD Single : A 81 THR OG1 : rot -140:sc= -1.32 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 173:sc= -2.36! (180deg=-2.64) USER MOD Single : A 106 SER OG : rot 180:sc= 0.073 USER MOD Single : A 111 ASN : amide:sc= -1.32 K(o=-1.3,f=-3!) USER MOD Single : A 119 ASN : amide:sc= -7.28! C(o=-7.3!,f=-3.4!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 -6.949 -18.271 -1.157 1.00 0.00 N ATOM 43 CA LYS A 3 -5.772 -17.476 -0.819 1.00 0.00 C ATOM 44 C LYS A 3 -5.595 -16.326 -1.806 1.00 0.00 C ATOM 45 O LYS A 3 -5.672 -16.519 -3.020 1.00 0.00 O ATOM 46 CB LYS A 3 -4.520 -18.355 -0.809 1.00 0.00 C ATOM 47 CG LYS A 3 -4.153 -18.910 -2.176 1.00 0.00 C ATOM 48 CD LYS A 3 -2.885 -18.271 -2.718 1.00 0.00 C ATOM 49 CE LYS A 3 -1.676 -18.621 -1.865 1.00 0.00 C ATOM 50 NZ LYS A 3 -1.344 -17.538 -0.900 1.00 0.00 N ATOM 0 HA LYS A 3 -5.919 -17.059 0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.682 -17.774 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -4.675 -19.185 -0.119 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.016 -19.989 -2.106 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -4.974 -18.737 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -2.718 -18.604 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -3.007 -17.188 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -1.871 -19.545 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -0.818 -18.807 -2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -0.363 -17.228 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -1.987 -16.734 -1.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.450 -17.894 0.071 1.00 0.00 H new ATOM 64 N LEU A 4 -5.348 -15.131 -1.279 1.00 0.00 N ATOM 65 CA LEU A 4 -5.148 -13.949 -2.108 1.00 0.00 C ATOM 66 C LEU A 4 -4.156 -12.997 -1.445 1.00 0.00 C ATOM 67 O LEU A 4 -4.312 -12.660 -0.272 1.00 0.00 O ATOM 68 CB LEU A 4 -6.483 -13.238 -2.333 1.00 0.00 C ATOM 69 CG LEU A 4 -7.102 -12.619 -1.078 1.00 0.00 C ATOM 70 CD1 LEU A 4 -6.726 -11.148 -0.967 1.00 0.00 C ATOM 71 CD2 LEU A 4 -8.614 -12.786 -1.090 1.00 0.00 C ATOM 0 H LEU A 4 -5.281 -14.956 -0.276 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.743 -14.261 -3.071 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.339 -12.453 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.191 -13.951 -2.756 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.707 -13.141 -0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -7.175 -10.724 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -5.642 -11.053 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -7.092 -10.612 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -9.037 -12.340 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -9.028 -12.291 -1.969 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -8.863 -13.847 -1.120 1.00 0.00 H new ATOM 83 N GLN A 5 -3.130 -12.569 -2.180 1.00 0.00 N ATOM 84 CA GLN A 5 -2.125 -11.670 -1.634 1.00 0.00 C ATOM 85 C GLN A 5 -2.345 -10.235 -2.092 1.00 0.00 C ATOM 86 O GLN A 5 -2.964 -9.983 -3.124 1.00 0.00 O ATOM 87 CB GLN A 5 -0.741 -12.115 -2.095 1.00 0.00 C ATOM 88 CG GLN A 5 -0.447 -13.569 -1.791 1.00 0.00 C ATOM 89 CD GLN A 5 1.028 -13.904 -1.889 1.00 0.00 C ATOM 90 OE1 GLN A 5 1.745 -13.362 -2.730 1.00 0.00 O ATOM 91 NE2 GLN A 5 1.489 -14.803 -1.027 1.00 0.00 N ATOM 0 H GLN A 5 -2.977 -12.832 -3.153 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.205 -11.707 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.653 -11.951 -3.169 1.00 0.00 H new ATOM 0 HB3 GLN A 5 0.012 -11.491 -1.614 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -0.802 -13.805 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -1.005 -14.200 -2.483 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.859 -15.227 -0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.473 -15.069 -1.045 1.00 0.00 H new ATOM 100 N ILE A 6 -1.819 -9.300 -1.319 1.00 0.00 N ATOM 101 CA ILE A 6 -1.915 -7.883 -1.612 1.00 0.00 C ATOM 102 C ILE A 6 -0.635 -7.211 -1.127 1.00 0.00 C ATOM 103 O ILE A 6 -0.143 -7.538 -0.047 1.00 0.00 O ATOM 104 CB ILE A 6 -3.133 -7.242 -0.918 1.00 0.00 C ATOM 105 CG1 ILE A 6 -4.427 -7.905 -1.391 1.00 0.00 C ATOM 106 CG2 ILE A 6 -3.169 -5.748 -1.188 1.00 0.00 C ATOM 107 CD1 ILE A 6 -5.666 -7.348 -0.725 1.00 0.00 C ATOM 0 H ILE A 6 -1.308 -9.508 -0.461 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.043 -7.749 -2.686 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.041 -7.396 0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.517 -7.781 -2.470 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.370 -8.976 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.035 -5.309 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.259 -5.287 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.240 -5.574 -2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -6.547 -7.863 -1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.598 -7.496 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.747 -6.283 -0.940 1.00 0.00 H new ATOM 119 N ALA A 7 -0.102 -6.259 -1.880 1.00 0.00 N ATOM 120 CA ALA A 7 1.097 -5.552 -1.449 1.00 0.00 C ATOM 121 C ALA A 7 0.843 -4.062 -1.509 1.00 0.00 C ATOM 122 O ALA A 7 0.472 -3.565 -2.557 1.00 0.00 O ATOM 123 CB ALA A 7 2.282 -5.929 -2.324 1.00 0.00 C ATOM 0 H ALA A 7 -0.475 -5.961 -2.781 1.00 0.00 H new ATOM 0 HA ALA A 7 1.335 -5.835 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 7 3.168 -5.391 -1.987 1.00 0.00 H new ATOM 0 HB2 ALA A 7 2.460 -7.002 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.068 -5.664 -3.360 1.00 0.00 H new ATOM 129 N VAL A 8 1.036 -3.341 -0.414 1.00 0.00 N ATOM 130 CA VAL A 8 0.795 -1.901 -0.433 1.00 0.00 C ATOM 131 C VAL A 8 1.911 -1.133 0.252 1.00 0.00 C ATOM 132 O VAL A 8 2.663 -1.680 1.051 1.00 0.00 O ATOM 133 CB VAL A 8 -0.553 -1.530 0.236 1.00 0.00 C ATOM 134 CG1 VAL A 8 -1.451 -2.752 0.382 1.00 0.00 C ATOM 135 CG2 VAL A 8 -0.324 -0.866 1.587 1.00 0.00 C ATOM 0 H VAL A 8 1.351 -3.716 0.481 1.00 0.00 H new ATOM 0 HA VAL A 8 0.759 -1.618 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.060 -0.817 -0.414 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.389 -2.460 0.854 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -1.656 -3.173 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -0.951 -3.499 0.999 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.285 -0.615 2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.215 -1.550 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.261 0.043 1.451 1.00 0.00 H new ATOM 145 N GLY A 9 2.014 0.143 -0.082 1.00 0.00 N ATOM 146 CA GLY A 9 3.041 0.969 0.505 1.00 0.00 C ATOM 147 C GLY A 9 2.643 2.424 0.639 1.00 0.00 C ATOM 148 O GLY A 9 1.881 2.950 -0.173 1.00 0.00 O ATOM 0 H GLY A 9 1.405 0.619 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.292 0.577 1.491 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.942 0.902 -0.104 1.00 0.00 H new ATOM 152 N ILE A 10 3.194 3.081 1.652 1.00 0.00 N ATOM 153 CA ILE A 10 2.936 4.496 1.885 1.00 0.00 C ATOM 154 C ILE A 10 3.989 5.300 1.138 1.00 0.00 C ATOM 155 O ILE A 10 5.177 5.133 1.390 1.00 0.00 O ATOM 156 CB ILE A 10 2.974 4.871 3.394 1.00 0.00 C ATOM 157 CG1 ILE A 10 3.453 3.699 4.263 1.00 0.00 C ATOM 158 CG2 ILE A 10 1.604 5.343 3.861 1.00 0.00 C ATOM 159 CD1 ILE A 10 2.481 2.539 4.315 1.00 0.00 C ATOM 0 H ILE A 10 3.826 2.653 2.329 1.00 0.00 H new ATOM 0 HA ILE A 10 1.932 4.722 1.526 1.00 0.00 H new ATOM 0 HB ILE A 10 3.691 5.684 3.508 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.409 3.343 3.881 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.629 4.059 5.277 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.649 5.601 4.919 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.306 6.220 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.875 4.547 3.713 1.00 0.00 H new ATOM 0 HD11 ILE A 10 2.889 1.751 4.947 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.531 2.879 4.726 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.323 2.151 3.309 1.00 0.00 H new ATOM 171 N ILE A 11 3.565 6.150 0.205 1.00 0.00 N ATOM 172 CA ILE A 11 4.514 6.933 -0.584 1.00 0.00 C ATOM 173 C ILE A 11 5.029 8.161 0.154 1.00 0.00 C ATOM 174 O ILE A 11 4.301 9.116 0.392 1.00 0.00 O ATOM 175 CB ILE A 11 3.924 7.388 -1.931 1.00 0.00 C ATOM 176 CG1 ILE A 11 2.953 6.341 -2.484 1.00 0.00 C ATOM 177 CG2 ILE A 11 5.053 7.653 -2.920 1.00 0.00 C ATOM 178 CD1 ILE A 11 2.772 6.422 -3.984 1.00 0.00 C ATOM 0 H ILE A 11 2.584 6.313 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 11 5.347 6.253 -0.763 1.00 0.00 H new ATOM 0 HB ILE A 11 3.363 8.310 -1.777 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.315 5.347 -2.222 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.984 6.465 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 11 4.634 7.975 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.704 8.434 -2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.629 6.740 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.072 5.652 -4.308 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.381 7.404 -4.251 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.733 6.268 -4.475 1.00 0.00 H new ATOM 190 N ARG A 12 6.303 8.119 0.492 1.00 0.00 N ATOM 191 CA ARG A 12 6.936 9.222 1.204 1.00 0.00 C ATOM 192 C ARG A 12 7.295 10.332 0.232 1.00 0.00 C ATOM 193 O ARG A 12 7.643 10.072 -0.919 1.00 0.00 O ATOM 194 CB ARG A 12 8.182 8.749 1.942 1.00 0.00 C ATOM 195 CG ARG A 12 7.923 8.408 3.397 1.00 0.00 C ATOM 196 CD ARG A 12 8.157 9.607 4.302 1.00 0.00 C ATOM 197 NE ARG A 12 9.462 10.224 4.069 1.00 0.00 N ATOM 198 CZ ARG A 12 10.616 9.690 4.463 1.00 0.00 C ATOM 199 NH1 ARG A 12 10.633 8.532 5.110 1.00 0.00 N ATOM 200 NH2 ARG A 12 11.757 10.317 4.208 1.00 0.00 N ATOM 0 H ARG A 12 6.923 7.336 0.287 1.00 0.00 H new ATOM 0 HA ARG A 12 6.229 9.606 1.939 1.00 0.00 H new ATOM 0 HB2 ARG A 12 8.584 7.871 1.436 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.945 9.526 1.888 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.897 8.059 3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 12 8.575 7.589 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.372 10.345 4.136 1.00 0.00 H new ATOM 0 HD3 ARG A 12 8.085 9.294 5.344 1.00 0.00 H new ATOM 0 HE ARG A 12 9.490 11.116 3.575 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.759 8.046 5.308 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.520 8.128 5.409 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.749 11.207 3.710 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.642 9.909 4.509 1.00 0.00 H new ATOM 214 N ASN A 13 7.192 11.575 0.698 1.00 0.00 N ATOM 215 CA ASN A 13 7.483 12.726 -0.147 1.00 0.00 C ATOM 216 C ASN A 13 8.609 13.596 0.392 1.00 0.00 C ATOM 217 O ASN A 13 9.287 13.267 1.366 1.00 0.00 O ATOM 218 CB ASN A 13 6.228 13.584 -0.351 1.00 0.00 C ATOM 219 CG ASN A 13 6.126 14.757 0.612 1.00 0.00 C ATOM 220 OD1 ASN A 13 6.551 14.670 1.763 1.00 0.00 O ATOM 221 ND2 ASN A 13 5.559 15.862 0.141 1.00 0.00 N ATOM 0 H ASN A 13 6.911 11.808 1.650 1.00 0.00 H new ATOM 0 HA ASN A 13 7.814 12.319 -1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 13 6.220 13.963 -1.373 1.00 0.00 H new ATOM 0 HB3 ASN A 13 5.346 12.954 -0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 13 5.463 16.681 0.741 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.220 15.891 -0.821 1.00 0.00 H new ATOM 228 N GLU A 14 8.778 14.713 -0.293 1.00 0.00 N ATOM 229 CA GLU A 14 9.798 15.702 0.025 1.00 0.00 C ATOM 230 C GLU A 14 9.677 16.194 1.456 1.00 0.00 C ATOM 231 O GLU A 14 10.628 16.143 2.236 1.00 0.00 O ATOM 232 CB GLU A 14 9.680 16.883 -0.942 1.00 0.00 C ATOM 233 CG GLU A 14 10.620 18.036 -0.628 1.00 0.00 C ATOM 234 CD GLU A 14 11.015 18.819 -1.865 1.00 0.00 C ATOM 235 OE1 GLU A 14 11.544 18.203 -2.814 1.00 0.00 O ATOM 236 OE2 GLU A 14 10.794 20.049 -1.885 1.00 0.00 O ATOM 0 H GLU A 14 8.203 14.964 -1.098 1.00 0.00 H new ATOM 0 HA GLU A 14 10.774 15.228 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.878 16.531 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.654 17.250 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.141 18.707 0.085 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.517 17.648 -0.146 1.00 0.00 H new ATOM 243 N ASN A 15 8.504 16.694 1.772 1.00 0.00 N ATOM 244 CA ASN A 15 8.219 17.244 3.097 1.00 0.00 C ATOM 245 C ASN A 15 8.057 16.157 4.166 1.00 0.00 C ATOM 246 O ASN A 15 7.759 16.466 5.320 1.00 0.00 O ATOM 247 CB ASN A 15 6.963 18.116 3.038 1.00 0.00 C ATOM 248 CG ASN A 15 6.633 18.756 4.373 1.00 0.00 C ATOM 249 OD1 ASN A 15 7.507 18.938 5.220 1.00 0.00 O ATOM 250 ND2 ASN A 15 5.365 19.102 4.566 1.00 0.00 N ATOM 0 H ASN A 15 7.716 16.735 1.126 1.00 0.00 H new ATOM 0 HA ASN A 15 9.078 17.849 3.387 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.102 18.896 2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 15 6.119 17.509 2.712 1.00 0.00 H new ATOM 0 HD21 ASN A 15 5.083 19.537 5.444 1.00 0.00 H new ATOM 0 HD22 ASN A 15 4.673 18.932 3.836 1.00 0.00 H new ATOM 257 N ASN A 16 8.244 14.891 3.786 1.00 0.00 N ATOM 258 CA ASN A 16 8.107 13.768 4.721 1.00 0.00 C ATOM 259 C ASN A 16 6.644 13.366 4.895 1.00 0.00 C ATOM 260 O ASN A 16 6.317 12.540 5.746 1.00 0.00 O ATOM 261 CB ASN A 16 8.732 14.095 6.081 1.00 0.00 C ATOM 262 CG ASN A 16 9.741 13.051 6.518 1.00 0.00 C ATOM 263 OD1 ASN A 16 10.745 12.820 5.845 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.478 12.413 7.653 1.00 0.00 N ATOM 0 H ASN A 16 8.491 14.616 2.835 1.00 0.00 H new ATOM 0 HA ASN A 16 8.646 12.924 4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.219 15.069 6.029 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.945 14.172 6.831 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.121 11.700 7.998 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.633 12.636 8.180 1.00 0.00 H new ATOM 271 N GLU A 17 5.775 13.921 4.055 1.00 0.00 N ATOM 272 CA GLU A 17 4.359 13.584 4.089 1.00 0.00 C ATOM 273 C GLU A 17 4.074 12.601 2.965 1.00 0.00 C ATOM 274 O GLU A 17 4.629 12.726 1.874 1.00 0.00 O ATOM 275 CB GLU A 17 3.480 14.832 3.944 1.00 0.00 C ATOM 276 CG GLU A 17 4.097 15.927 3.090 1.00 0.00 C ATOM 277 CD GLU A 17 3.197 17.140 2.957 1.00 0.00 C ATOM 278 OE1 GLU A 17 2.267 17.282 3.778 1.00 0.00 O ATOM 279 OE2 GLU A 17 3.422 17.948 2.032 1.00 0.00 O ATOM 0 H GLU A 17 6.029 14.606 3.343 1.00 0.00 H new ATOM 0 HA GLU A 17 4.121 13.135 5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.524 14.542 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.270 15.233 4.935 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.048 16.231 3.527 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.314 15.530 2.098 1.00 0.00 H new ATOM 286 N ILE A 18 3.285 11.575 3.250 1.00 0.00 N ATOM 287 CA ILE A 18 3.046 10.537 2.257 1.00 0.00 C ATOM 288 C ILE A 18 1.688 10.645 1.569 1.00 0.00 C ATOM 289 O ILE A 18 0.634 10.561 2.195 1.00 0.00 O ATOM 290 CB ILE A 18 3.208 9.126 2.890 1.00 0.00 C ATOM 291 CG1 ILE A 18 2.520 8.035 2.051 1.00 0.00 C ATOM 292 CG2 ILE A 18 2.684 9.110 4.321 1.00 0.00 C ATOM 293 CD1 ILE A 18 1.021 7.955 2.229 1.00 0.00 C ATOM 0 H ILE A 18 2.808 11.439 4.141 1.00 0.00 H new ATOM 0 HA ILE A 18 3.799 10.687 1.484 1.00 0.00 H new ATOM 0 HB ILE A 18 4.275 8.902 2.906 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.739 8.213 0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.955 7.069 2.308 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.808 8.113 4.743 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.242 9.829 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.627 9.377 4.324 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.622 7.159 1.600 1.00 0.00 H new ATOM 0 HD12 ILE A 18 0.789 7.743 3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.569 8.905 1.943 1.00 0.00 H new ATOM 305 N PHE A 19 1.762 10.860 0.255 1.00 0.00 N ATOM 306 CA PHE A 19 0.594 11.008 -0.605 1.00 0.00 C ATOM 307 C PHE A 19 -0.221 9.711 -0.688 1.00 0.00 C ATOM 308 O PHE A 19 0.058 8.838 -1.508 1.00 0.00 O ATOM 309 CB PHE A 19 1.064 11.464 -2.003 1.00 0.00 C ATOM 310 CG PHE A 19 0.268 10.932 -3.167 1.00 0.00 C ATOM 311 CD1 PHE A 19 -0.881 11.577 -3.595 1.00 0.00 C ATOM 312 CD2 PHE A 19 0.683 9.795 -3.842 1.00 0.00 C ATOM 313 CE1 PHE A 19 -1.602 11.094 -4.672 1.00 0.00 C ATOM 314 CE2 PHE A 19 -0.033 9.309 -4.917 1.00 0.00 C ATOM 315 CZ PHE A 19 -1.176 9.959 -5.333 1.00 0.00 C ATOM 0 H PHE A 19 2.647 10.937 -0.245 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.069 11.760 -0.178 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.039 12.553 -2.037 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.104 11.165 -2.131 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.217 12.466 -3.082 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.578 9.283 -3.523 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -2.497 11.604 -4.996 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.301 8.421 -5.432 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.737 9.581 -6.175 1.00 0.00 H new ATOM 325 N ILE A 20 -1.239 9.600 0.160 1.00 0.00 N ATOM 326 CA ILE A 20 -2.101 8.427 0.164 1.00 0.00 C ATOM 327 C ILE A 20 -3.457 8.783 -0.429 1.00 0.00 C ATOM 328 O ILE A 20 -3.879 9.939 -0.375 1.00 0.00 O ATOM 329 CB ILE A 20 -2.320 7.835 1.579 1.00 0.00 C ATOM 330 CG1 ILE A 20 -1.826 8.776 2.682 1.00 0.00 C ATOM 331 CG2 ILE A 20 -1.639 6.482 1.694 1.00 0.00 C ATOM 332 CD1 ILE A 20 -2.887 9.734 3.177 1.00 0.00 C ATOM 0 H ILE A 20 -1.485 10.308 0.852 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.595 7.670 -0.435 1.00 0.00 H new ATOM 0 HB ILE A 20 -3.394 7.710 1.717 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -1.464 8.181 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.977 9.348 2.307 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.801 6.077 2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.058 5.800 0.954 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.570 6.597 1.518 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.468 10.370 3.957 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.232 10.354 2.350 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.727 9.169 3.582 1.00 0.00 H new ATOM 344 N THR A 21 -4.145 7.795 -0.985 1.00 0.00 N ATOM 345 CA THR A 21 -5.457 8.037 -1.567 1.00 0.00 C ATOM 346 C THR A 21 -6.458 8.312 -0.456 1.00 0.00 C ATOM 347 O THR A 21 -6.779 7.423 0.327 1.00 0.00 O ATOM 348 CB THR A 21 -5.911 6.833 -2.404 1.00 0.00 C ATOM 349 OG1 THR A 21 -6.576 5.877 -1.598 1.00 0.00 O ATOM 350 CG2 THR A 21 -4.772 6.125 -3.113 1.00 0.00 C ATOM 0 H THR A 21 -3.821 6.830 -1.045 1.00 0.00 H new ATOM 0 HA THR A 21 -5.398 8.903 -2.226 1.00 0.00 H new ATOM 0 HB THR A 21 -6.582 7.248 -3.156 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.169 5.861 -0.707 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.166 5.285 -3.685 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.274 6.822 -3.787 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.057 5.759 -2.377 1.00 0.00 H new ATOM 358 N ARG A 22 -6.935 9.551 -0.377 1.00 0.00 N ATOM 359 CA ARG A 22 -7.883 9.932 0.664 1.00 0.00 C ATOM 360 C ARG A 22 -9.047 10.736 0.098 1.00 0.00 C ATOM 361 O ARG A 22 -8.853 11.697 -0.646 1.00 0.00 O ATOM 362 CB ARG A 22 -7.176 10.746 1.750 1.00 0.00 C ATOM 363 CG ARG A 22 -8.057 11.052 2.951 1.00 0.00 C ATOM 364 CD ARG A 22 -7.236 11.232 4.219 1.00 0.00 C ATOM 365 NE ARG A 22 -7.389 12.570 4.786 1.00 0.00 N ATOM 366 CZ ARG A 22 -6.701 13.016 5.834 1.00 0.00 C ATOM 367 NH1 ARG A 22 -5.809 12.234 6.432 1.00 0.00 N ATOM 368 NH2 ARG A 22 -6.903 14.245 6.285 1.00 0.00 N ATOM 0 H ARG A 22 -6.682 10.304 -1.017 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.283 9.014 1.096 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.295 10.200 2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.825 11.684 1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.633 11.957 2.759 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.773 10.243 3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.540 10.489 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.184 11.050 3.999 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.064 13.200 4.352 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.649 11.287 6.088 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.284 12.580 7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.586 14.850 5.829 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.375 14.587 7.088 1.00 0.00 H new ATOM 493 N ASN A 31 -14.242 7.405 3.297 1.00 0.00 N ATOM 494 CA ASN A 31 -13.558 6.646 4.337 1.00 0.00 C ATOM 495 C ASN A 31 -12.767 5.482 3.741 1.00 0.00 C ATOM 496 O ASN A 31 -12.610 4.440 4.376 1.00 0.00 O ATOM 497 CB ASN A 31 -14.572 6.127 5.359 1.00 0.00 C ATOM 498 CG ASN A 31 -14.458 6.832 6.696 1.00 0.00 C ATOM 499 OD1 ASN A 31 -14.080 8.002 6.764 1.00 0.00 O ATOM 500 ND2 ASN A 31 -14.787 6.122 7.770 1.00 0.00 N ATOM 0 HA ASN A 31 -12.854 7.311 4.836 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -15.580 6.260 4.966 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.424 5.057 5.502 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.731 6.544 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -15.095 5.155 7.667 1.00 0.00 H new ATOM 507 N LYS A 32 -12.274 5.663 2.520 1.00 0.00 N ATOM 508 CA LYS A 32 -11.504 4.622 1.848 1.00 0.00 C ATOM 509 C LYS A 32 -10.040 5.006 1.712 1.00 0.00 C ATOM 510 O LYS A 32 -9.349 4.537 0.809 1.00 0.00 O ATOM 511 CB LYS A 32 -12.088 4.314 0.474 1.00 0.00 C ATOM 512 CG LYS A 32 -12.294 2.829 0.223 1.00 0.00 C ATOM 513 CD LYS A 32 -13.660 2.365 0.703 1.00 0.00 C ATOM 514 CE LYS A 32 -13.566 1.636 2.033 1.00 0.00 C ATOM 515 NZ LYS A 32 -13.146 0.218 1.861 1.00 0.00 N ATOM 0 H LYS A 32 -12.393 6.518 1.977 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.565 3.728 2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.044 4.828 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.425 4.716 -0.292 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.192 2.622 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.516 2.262 0.734 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.322 3.225 0.804 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.104 1.706 -0.043 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -12.854 2.150 2.679 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.533 1.670 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -13.143 -0.258 2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -13.811 -0.266 1.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.190 0.186 1.452 1.00 0.00 H new ATOM 529 N LEU A 33 -9.579 5.854 2.616 1.00 0.00 N ATOM 530 CA LEU A 33 -8.190 6.309 2.617 1.00 0.00 C ATOM 531 C LEU A 33 -7.235 5.123 2.441 1.00 0.00 C ATOM 532 O LEU A 33 -6.815 4.510 3.414 1.00 0.00 O ATOM 533 CB LEU A 33 -7.896 7.037 3.934 1.00 0.00 C ATOM 534 CG LEU A 33 -6.682 7.973 3.933 1.00 0.00 C ATOM 535 CD1 LEU A 33 -6.330 8.383 5.354 1.00 0.00 C ATOM 536 CD2 LEU A 33 -5.485 7.315 3.261 1.00 0.00 C ATOM 0 H LEU A 33 -10.148 6.246 3.366 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.038 6.994 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.776 7.618 4.208 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.752 6.289 4.714 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.943 8.865 3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.466 9.047 5.338 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.177 8.900 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.094 7.495 5.941 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.638 8.001 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.222 6.403 3.798 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.737 7.069 2.229 1.00 0.00 H new ATOM 548 N GLU A 34 -6.910 4.787 1.196 1.00 0.00 N ATOM 549 CA GLU A 34 -6.028 3.653 0.931 1.00 0.00 C ATOM 550 C GLU A 34 -4.765 4.071 0.184 1.00 0.00 C ATOM 551 O GLU A 34 -4.648 5.201 -0.285 1.00 0.00 O ATOM 552 CB GLU A 34 -6.781 2.581 0.135 1.00 0.00 C ATOM 553 CG GLU A 34 -6.210 1.176 0.273 1.00 0.00 C ATOM 554 CD GLU A 34 -6.068 0.728 1.716 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.215 1.289 2.433 1.00 0.00 O ATOM 556 OE2 GLU A 34 -6.808 -0.191 2.124 1.00 0.00 O ATOM 0 H GLU A 34 -7.239 5.276 0.364 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.717 3.245 1.893 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.822 2.570 0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.778 2.859 -0.919 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.855 0.475 -0.257 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.234 1.138 -0.210 1.00 0.00 H new ATOM 563 N PHE A 35 -3.818 3.140 0.090 1.00 0.00 N ATOM 564 CA PHE A 35 -2.552 3.390 -0.594 1.00 0.00 C ATOM 565 C PHE A 35 -2.357 2.429 -1.772 1.00 0.00 C ATOM 566 O PHE A 35 -3.015 1.391 -1.857 1.00 0.00 O ATOM 567 CB PHE A 35 -1.364 3.265 0.379 1.00 0.00 C ATOM 568 CG PHE A 35 -1.712 2.721 1.741 1.00 0.00 C ATOM 569 CD1 PHE A 35 -2.305 1.476 1.879 1.00 0.00 C ATOM 570 CD2 PHE A 35 -1.441 3.457 2.884 1.00 0.00 C ATOM 571 CE1 PHE A 35 -2.621 0.978 3.129 1.00 0.00 C ATOM 572 CE2 PHE A 35 -1.755 2.964 4.135 1.00 0.00 C ATOM 573 CZ PHE A 35 -2.347 1.723 4.258 1.00 0.00 C ATOM 0 H PHE A 35 -3.905 2.202 0.481 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.589 4.409 -0.978 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.610 2.619 -0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -0.909 4.248 0.502 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.523 0.888 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -0.978 4.429 2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.082 0.006 3.222 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.538 3.549 5.017 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.595 1.336 5.235 1.00 0.00 H new ATOM 583 N PRO A 36 -1.426 2.764 -2.685 1.00 0.00 N ATOM 584 CA PRO A 36 -1.103 1.939 -3.861 1.00 0.00 C ATOM 585 C PRO A 36 -0.725 0.511 -3.476 1.00 0.00 C ATOM 586 O PRO A 36 -0.497 0.221 -2.302 1.00 0.00 O ATOM 587 CB PRO A 36 0.097 2.655 -4.499 1.00 0.00 C ATOM 588 CG PRO A 36 0.609 3.577 -3.446 1.00 0.00 C ATOM 589 CD PRO A 36 -0.589 3.972 -2.635 1.00 0.00 C ATOM 0 HA PRO A 36 -1.957 1.843 -4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.863 1.943 -4.805 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -0.202 3.204 -5.392 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.357 3.085 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.087 4.451 -3.889 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -0.317 4.234 -1.613 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -1.099 4.836 -3.061 1.00 0.00 H new ATOM 597 N GLY A 37 -0.654 -0.383 -4.465 1.00 0.00 N ATOM 598 CA GLY A 37 -0.297 -1.760 -4.175 1.00 0.00 C ATOM 599 C GLY A 37 -1.474 -2.715 -4.152 1.00 0.00 C ATOM 600 O GLY A 37 -1.758 -3.365 -3.146 1.00 0.00 O ATOM 0 H GLY A 37 -0.835 -0.179 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 37 0.420 -2.103 -4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.206 -1.797 -3.209 1.00 0.00 H new ATOM 604 N GLY A 38 -2.143 -2.792 -5.277 1.00 0.00 N ATOM 605 CA GLY A 38 -3.289 -3.667 -5.431 1.00 0.00 C ATOM 606 C GLY A 38 -3.189 -4.531 -6.681 1.00 0.00 C ATOM 607 O GLY A 38 -3.062 -3.999 -7.783 1.00 0.00 O ATOM 0 H GLY A 38 -1.912 -2.253 -6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.375 -4.308 -4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.198 -3.067 -5.478 1.00 0.00 H new ATOM 611 N LYS A 39 -3.247 -5.864 -6.507 1.00 0.00 N ATOM 612 CA LYS A 39 -3.168 -6.823 -7.619 1.00 0.00 C ATOM 613 C LYS A 39 -1.764 -7.403 -7.775 1.00 0.00 C ATOM 614 O LYS A 39 -1.422 -7.936 -8.830 1.00 0.00 O ATOM 615 CB LYS A 39 -3.617 -6.203 -8.947 1.00 0.00 C ATOM 616 CG LYS A 39 -3.694 -7.213 -10.079 1.00 0.00 C ATOM 617 CD LYS A 39 -4.927 -6.997 -10.943 1.00 0.00 C ATOM 618 CE LYS A 39 -5.965 -8.086 -10.715 1.00 0.00 C ATOM 619 NZ LYS A 39 -6.996 -7.671 -9.725 1.00 0.00 N ATOM 0 H LYS A 39 -3.350 -6.304 -5.592 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.853 -7.632 -7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.595 -5.741 -8.813 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -2.924 -5.408 -9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.799 -7.136 -10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.711 -8.222 -9.666 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.364 -6.024 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.638 -6.982 -11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.448 -8.331 -11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.470 -8.992 -10.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -7.684 -8.440 -9.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.539 -7.461 -8.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.486 -6.821 -10.070 1.00 0.00 H new ATOM 633 N ILE A 40 -0.957 -7.322 -6.724 1.00 0.00 N ATOM 634 CA ILE A 40 0.396 -7.872 -6.775 1.00 0.00 C ATOM 635 C ILE A 40 0.335 -9.387 -6.791 1.00 0.00 C ATOM 636 O ILE A 40 1.183 -10.063 -7.373 1.00 0.00 O ATOM 637 CB ILE A 40 1.280 -7.390 -5.597 1.00 0.00 C ATOM 638 CG1 ILE A 40 1.252 -8.377 -4.412 1.00 0.00 C ATOM 639 CG2 ILE A 40 0.841 -6.005 -5.157 1.00 0.00 C ATOM 640 CD1 ILE A 40 2.614 -8.623 -3.797 1.00 0.00 C ATOM 0 H ILE A 40 -1.209 -6.887 -5.836 1.00 0.00 H new ATOM 0 HA ILE A 40 0.859 -7.508 -7.692 1.00 0.00 H new ATOM 0 HB ILE A 40 2.311 -7.345 -5.947 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.580 -7.992 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.838 -9.327 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.466 -5.671 -4.329 1.00 0.00 H new ATOM 0 HG22 ILE A 40 0.941 -5.310 -5.990 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.200 -6.038 -4.836 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.518 -9.327 -2.970 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.284 -9.038 -4.550 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.022 -7.682 -3.427 1.00 0.00 H new ATOM 652 N GLU A 41 -0.689 -9.899 -6.129 1.00 0.00 N ATOM 653 CA GLU A 41 -0.920 -11.331 -6.019 1.00 0.00 C ATOM 654 C GLU A 41 -0.715 -12.027 -7.360 1.00 0.00 C ATOM 655 O GLU A 41 0.355 -12.575 -7.620 1.00 0.00 O ATOM 656 CB GLU A 41 -2.334 -11.590 -5.488 1.00 0.00 C ATOM 657 CG GLU A 41 -3.377 -10.587 -5.979 1.00 0.00 C ATOM 658 CD GLU A 41 -4.574 -11.256 -6.628 1.00 0.00 C ATOM 659 OE1 GLU A 41 -5.287 -12.005 -5.928 1.00 0.00 O ATOM 660 OE2 GLU A 41 -4.798 -11.030 -7.836 1.00 0.00 O ATOM 0 H GLU A 41 -1.388 -9.331 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.195 -11.744 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.643 -12.593 -5.782 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.311 -11.570 -4.398 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.716 -9.981 -5.139 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.913 -9.908 -6.695 1.00 0.00 H new ATOM 667 N MET A 42 -1.741 -11.994 -8.208 1.00 0.00 N ATOM 668 CA MET A 42 -1.680 -12.617 -9.530 1.00 0.00 C ATOM 669 C MET A 42 -1.010 -13.994 -9.472 1.00 0.00 C ATOM 670 O MET A 42 -1.683 -15.014 -9.320 1.00 0.00 O ATOM 671 CB MET A 42 -0.935 -11.707 -10.511 1.00 0.00 C ATOM 672 CG MET A 42 -1.689 -10.432 -10.847 1.00 0.00 C ATOM 673 SD MET A 42 -1.652 -10.042 -12.607 1.00 0.00 S ATOM 674 CE MET A 42 -0.189 -9.012 -12.693 1.00 0.00 C ATOM 0 H MET A 42 -2.630 -11.539 -8.002 1.00 0.00 H new ATOM 0 HA MET A 42 -2.703 -12.758 -9.879 1.00 0.00 H new ATOM 0 HB2 MET A 42 0.034 -11.445 -10.087 1.00 0.00 H new ATOM 0 HB3 MET A 42 -0.742 -12.259 -11.431 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.725 -10.532 -10.523 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.259 -9.602 -10.286 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.031 -8.690 -13.722 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.321 -8.138 -12.055 1.00 0.00 H new ATOM 0 HE3 MET A 42 0.677 -9.581 -12.354 1.00 0.00 H new ATOM 684 N GLY A 43 0.316 -14.016 -9.593 1.00 0.00 N ATOM 685 CA GLY A 43 1.042 -15.272 -9.549 1.00 0.00 C ATOM 686 C GLY A 43 2.542 -15.084 -9.540 1.00 0.00 C ATOM 687 O GLY A 43 3.286 -15.923 -10.045 1.00 0.00 O ATOM 0 H GLY A 43 0.898 -13.188 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.745 -15.827 -8.659 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.762 -15.878 -10.411 1.00 0.00 H new ATOM 691 N GLU A 44 2.983 -13.977 -8.967 1.00 0.00 N ATOM 692 CA GLU A 44 4.407 -13.670 -8.893 1.00 0.00 C ATOM 693 C GLU A 44 5.001 -14.153 -7.570 1.00 0.00 C ATOM 694 O GLU A 44 4.405 -14.980 -6.881 1.00 0.00 O ATOM 695 CB GLU A 44 4.629 -12.166 -9.062 1.00 0.00 C ATOM 696 CG GLU A 44 5.475 -11.810 -10.274 1.00 0.00 C ATOM 697 CD GLU A 44 4.893 -10.661 -11.074 1.00 0.00 C ATOM 698 OE1 GLU A 44 4.380 -9.706 -10.454 1.00 0.00 O ATOM 699 OE2 GLU A 44 4.951 -10.717 -12.320 1.00 0.00 O ATOM 0 H GLU A 44 2.377 -13.273 -8.545 1.00 0.00 H new ATOM 0 HA GLU A 44 4.915 -14.195 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.661 -11.671 -9.146 1.00 0.00 H new ATOM 0 HB3 GLU A 44 5.110 -11.775 -8.166 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.481 -11.547 -9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 44 5.568 -12.685 -10.917 1.00 0.00 H new ATOM 706 N THR A 45 6.171 -13.626 -7.212 1.00 0.00 N ATOM 707 CA THR A 45 6.825 -14.004 -5.968 1.00 0.00 C ATOM 708 C THR A 45 6.560 -12.947 -4.902 1.00 0.00 C ATOM 709 O THR A 45 6.179 -11.821 -5.224 1.00 0.00 O ATOM 710 CB THR A 45 8.334 -14.167 -6.187 1.00 0.00 C ATOM 711 OG1 THR A 45 8.674 -13.946 -7.545 1.00 0.00 O ATOM 712 CG2 THR A 45 8.851 -15.538 -5.808 1.00 0.00 C ATOM 0 H THR A 45 6.681 -12.938 -7.766 1.00 0.00 H new ATOM 0 HA THR A 45 6.419 -14.958 -5.632 1.00 0.00 H new ATOM 0 HB THR A 45 8.798 -13.426 -5.536 1.00 0.00 H new ATOM 0 HG1 THR A 45 9.607 -14.207 -7.695 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.925 -15.584 -5.988 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.652 -15.723 -4.753 1.00 0.00 H new ATOM 0 HG23 THR A 45 8.349 -16.295 -6.410 1.00 0.00 H new ATOM 720 N PRO A 46 6.760 -13.285 -3.617 1.00 0.00 N ATOM 721 CA PRO A 46 6.543 -12.352 -2.515 1.00 0.00 C ATOM 722 C PRO A 46 7.113 -10.970 -2.817 1.00 0.00 C ATOM 723 O PRO A 46 6.596 -9.956 -2.346 1.00 0.00 O ATOM 724 CB PRO A 46 7.285 -13.003 -1.334 1.00 0.00 C ATOM 725 CG PRO A 46 7.980 -14.203 -1.896 1.00 0.00 C ATOM 726 CD PRO A 46 7.215 -14.586 -3.125 1.00 0.00 C ATOM 0 HA PRO A 46 5.483 -12.188 -2.319 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.000 -12.309 -0.892 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.589 -13.289 -0.545 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.018 -13.975 -2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.993 -15.020 -1.174 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.843 -15.101 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.382 -15.250 -2.897 1.00 0.00 H new ATOM 734 N GLU A 47 8.184 -10.938 -3.604 1.00 0.00 N ATOM 735 CA GLU A 47 8.828 -9.681 -3.968 1.00 0.00 C ATOM 736 C GLU A 47 8.497 -9.275 -5.404 1.00 0.00 C ATOM 737 O GLU A 47 8.174 -8.117 -5.666 1.00 0.00 O ATOM 738 CB GLU A 47 10.344 -9.798 -3.801 1.00 0.00 C ATOM 739 CG GLU A 47 10.843 -9.348 -2.437 1.00 0.00 C ATOM 740 CD GLU A 47 12.356 -9.379 -2.332 1.00 0.00 C ATOM 741 OE1 GLU A 47 12.907 -10.458 -2.027 1.00 0.00 O ATOM 742 OE2 GLU A 47 12.988 -8.326 -2.554 1.00 0.00 O ATOM 0 H GLU A 47 8.624 -11.768 -4.002 1.00 0.00 H new ATOM 0 HA GLU A 47 8.446 -8.908 -3.301 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.640 -10.834 -3.963 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.833 -9.203 -4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.489 -8.336 -2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.415 -9.991 -1.667 1.00 0.00 H new ATOM 749 N GLN A 48 8.593 -10.225 -6.335 1.00 0.00 N ATOM 750 CA GLN A 48 8.322 -9.947 -7.744 1.00 0.00 C ATOM 751 C GLN A 48 6.839 -9.690 -8.004 1.00 0.00 C ATOM 752 O GLN A 48 6.454 -9.343 -9.121 1.00 0.00 O ATOM 753 CB GLN A 48 8.810 -11.103 -8.618 1.00 0.00 C ATOM 754 CG GLN A 48 10.256 -11.496 -8.360 1.00 0.00 C ATOM 755 CD GLN A 48 10.893 -12.185 -9.552 1.00 0.00 C ATOM 756 OE1 GLN A 48 10.357 -13.158 -10.080 1.00 0.00 O ATOM 757 NE2 GLN A 48 12.045 -11.682 -9.980 1.00 0.00 N ATOM 0 H GLN A 48 8.856 -11.191 -6.139 1.00 0.00 H new ATOM 0 HA GLN A 48 8.866 -9.039 -8.003 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.171 -11.970 -8.448 1.00 0.00 H new ATOM 0 HB3 GLN A 48 8.700 -10.826 -9.666 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.832 -10.605 -8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.300 -12.158 -7.495 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.454 -10.873 -9.512 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.521 -12.104 -10.777 1.00 0.00 H new ATOM 766 N ALA A 49 6.009 -9.847 -6.980 1.00 0.00 N ATOM 767 CA ALA A 49 4.582 -9.615 -7.128 1.00 0.00 C ATOM 768 C ALA A 49 4.267 -8.130 -7.020 1.00 0.00 C ATOM 769 O ALA A 49 3.527 -7.582 -7.838 1.00 0.00 O ATOM 770 CB ALA A 49 3.802 -10.406 -6.090 1.00 0.00 C ATOM 0 H ALA A 49 6.299 -10.132 -6.045 1.00 0.00 H new ATOM 0 HA ALA A 49 4.279 -9.957 -8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.736 -10.220 -6.216 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.002 -11.470 -6.217 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.108 -10.096 -5.091 1.00 0.00 H new ATOM 776 N VAL A 50 4.844 -7.478 -6.017 1.00 0.00 N ATOM 777 CA VAL A 50 4.626 -6.051 -5.824 1.00 0.00 C ATOM 778 C VAL A 50 5.477 -5.235 -6.785 1.00 0.00 C ATOM 779 O VAL A 50 5.084 -4.151 -7.192 1.00 0.00 O ATOM 780 CB VAL A 50 4.917 -5.588 -4.381 1.00 0.00 C ATOM 781 CG1 VAL A 50 6.285 -6.057 -3.918 1.00 0.00 C ATOM 782 CG2 VAL A 50 4.804 -4.072 -4.280 1.00 0.00 C ATOM 0 H VAL A 50 5.461 -7.911 -5.330 1.00 0.00 H new ATOM 0 HA VAL A 50 3.568 -5.882 -6.025 1.00 0.00 H new ATOM 0 HB VAL A 50 4.173 -6.038 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.461 -5.715 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.326 -7.146 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.052 -5.647 -4.575 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.012 -3.759 -3.257 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.523 -3.608 -4.955 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.796 -3.763 -4.556 1.00 0.00 H new ATOM 792 N VAL A 51 6.648 -5.744 -7.134 1.00 0.00 N ATOM 793 CA VAL A 51 7.535 -5.025 -8.037 1.00 0.00 C ATOM 794 C VAL A 51 6.795 -4.592 -9.297 1.00 0.00 C ATOM 795 O VAL A 51 7.044 -3.510 -9.828 1.00 0.00 O ATOM 796 CB VAL A 51 8.765 -5.873 -8.427 1.00 0.00 C ATOM 797 CG1 VAL A 51 9.701 -5.086 -9.336 1.00 0.00 C ATOM 798 CG2 VAL A 51 9.503 -6.346 -7.181 1.00 0.00 C ATOM 0 H VAL A 51 7.005 -6.643 -6.810 1.00 0.00 H new ATOM 0 HA VAL A 51 7.882 -4.141 -7.502 1.00 0.00 H new ATOM 0 HB VAL A 51 8.415 -6.747 -8.976 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.560 -5.704 -9.597 1.00 0.00 H new ATOM 0 HG12 VAL A 51 9.171 -4.800 -10.244 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.043 -4.190 -8.818 1.00 0.00 H new ATOM 0 HG21 VAL A 51 10.367 -6.942 -7.474 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.836 -5.482 -6.606 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.834 -6.952 -6.570 1.00 0.00 H new ATOM 808 N ARG A 52 5.894 -5.442 -9.782 1.00 0.00 N ATOM 809 CA ARG A 52 5.135 -5.135 -10.990 1.00 0.00 C ATOM 810 C ARG A 52 3.981 -4.169 -10.720 1.00 0.00 C ATOM 811 O ARG A 52 3.661 -3.326 -11.559 1.00 0.00 O ATOM 812 CB ARG A 52 4.603 -6.428 -11.617 1.00 0.00 C ATOM 813 CG ARG A 52 5.376 -6.871 -12.848 1.00 0.00 C ATOM 814 CD ARG A 52 4.656 -7.989 -13.584 1.00 0.00 C ATOM 815 NE ARG A 52 5.583 -8.858 -14.306 1.00 0.00 N ATOM 816 CZ ARG A 52 6.104 -8.562 -15.495 1.00 0.00 C ATOM 817 NH1 ARG A 52 5.796 -7.419 -16.098 1.00 0.00 N ATOM 818 NH2 ARG A 52 6.937 -9.410 -16.083 1.00 0.00 N ATOM 0 H ARG A 52 5.673 -6.344 -9.360 1.00 0.00 H new ATOM 0 HA ARG A 52 5.814 -4.642 -11.685 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.636 -7.223 -10.872 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.556 -6.287 -11.887 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.513 -6.022 -13.518 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.370 -7.209 -12.553 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.084 -8.583 -12.871 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.942 -7.559 -14.286 1.00 0.00 H new ATOM 0 HE ARG A 52 5.846 -9.743 -13.874 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.157 -6.762 -15.650 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.199 -7.198 -17.009 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.178 -10.289 -15.624 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.336 -9.184 -16.994 1.00 0.00 H new ATOM 832 N GLU A 53 3.383 -4.275 -9.542 1.00 0.00 N ATOM 833 CA GLU A 53 2.288 -3.385 -9.160 1.00 0.00 C ATOM 834 C GLU A 53 2.861 -2.041 -8.722 1.00 0.00 C ATOM 835 O GLU A 53 2.273 -0.987 -8.946 1.00 0.00 O ATOM 836 CB GLU A 53 1.458 -4.004 -8.033 1.00 0.00 C ATOM 837 CG GLU A 53 0.021 -4.301 -8.432 1.00 0.00 C ATOM 838 CD GLU A 53 -0.073 -5.178 -9.664 1.00 0.00 C ATOM 839 OE1 GLU A 53 0.842 -6.002 -9.877 1.00 0.00 O ATOM 840 OE2 GLU A 53 -1.060 -5.042 -10.415 1.00 0.00 O ATOM 0 H GLU A 53 3.634 -4.965 -8.834 1.00 0.00 H new ATOM 0 HA GLU A 53 1.632 -3.236 -10.018 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.935 -4.928 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.457 -3.327 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.489 -4.791 -7.602 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.502 -3.363 -8.618 1.00 0.00 H new ATOM 847 N LEU A 54 4.000 -2.127 -8.051 1.00 0.00 N ATOM 848 CA LEU A 54 4.657 -0.946 -7.520 1.00 0.00 C ATOM 849 C LEU A 54 4.721 0.103 -8.617 1.00 0.00 C ATOM 850 O LEU A 54 4.345 1.254 -8.411 1.00 0.00 O ATOM 851 CB LEU A 54 6.060 -1.298 -7.036 1.00 0.00 C ATOM 852 CG LEU A 54 6.906 -0.099 -6.642 1.00 0.00 C ATOM 853 CD1 LEU A 54 6.668 0.266 -5.189 1.00 0.00 C ATOM 854 CD2 LEU A 54 8.379 -0.370 -6.900 1.00 0.00 C ATOM 0 H LEU A 54 4.487 -3.003 -7.862 1.00 0.00 H new ATOM 0 HA LEU A 54 4.096 -0.556 -6.671 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.979 -1.967 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.575 -1.848 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 54 6.608 0.749 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.282 1.127 -4.925 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.616 0.512 -5.043 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.934 -0.579 -4.553 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.966 0.502 -6.611 1.00 0.00 H new ATOM 0 HD22 LEU A 54 8.698 -1.233 -6.315 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.531 -0.574 -7.960 1.00 0.00 H new ATOM 866 N GLN A 55 5.185 -0.305 -9.785 1.00 0.00 N ATOM 867 CA GLN A 55 5.283 0.607 -10.920 1.00 0.00 C ATOM 868 C GLN A 55 3.909 0.824 -11.550 1.00 0.00 C ATOM 869 O GLN A 55 3.639 1.869 -12.138 1.00 0.00 O ATOM 870 CB GLN A 55 6.261 0.062 -11.963 1.00 0.00 C ATOM 871 CG GLN A 55 6.423 0.963 -13.175 1.00 0.00 C ATOM 872 CD GLN A 55 7.086 0.258 -14.342 1.00 0.00 C ATOM 873 OE1 GLN A 55 6.606 0.320 -15.474 1.00 0.00 O ATOM 874 NE2 GLN A 55 8.196 -0.418 -14.071 1.00 0.00 N ATOM 0 H GLN A 55 5.499 -1.256 -9.976 1.00 0.00 H new ATOM 0 HA GLN A 55 5.657 1.565 -10.559 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.235 -0.082 -11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.918 -0.919 -12.293 1.00 0.00 H new ATOM 0 HG2 GLN A 55 5.444 1.328 -13.485 1.00 0.00 H new ATOM 0 HG3 GLN A 55 7.015 1.835 -12.898 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.558 -0.442 -13.118 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.686 -0.913 -14.816 1.00 0.00 H new ATOM 883 N GLU A 56 3.043 -0.172 -11.407 1.00 0.00 N ATOM 884 CA GLU A 56 1.691 -0.093 -11.945 1.00 0.00 C ATOM 885 C GLU A 56 0.851 0.888 -11.134 1.00 0.00 C ATOM 886 O GLU A 56 -0.124 1.447 -11.633 1.00 0.00 O ATOM 887 CB GLU A 56 1.029 -1.471 -11.929 1.00 0.00 C ATOM 888 CG GLU A 56 0.177 -1.755 -13.155 1.00 0.00 C ATOM 889 CD GLU A 56 -1.022 -2.627 -12.842 1.00 0.00 C ATOM 890 OE1 GLU A 56 -1.634 -2.432 -11.769 1.00 0.00 O ATOM 891 OE2 GLU A 56 -1.350 -3.504 -13.667 1.00 0.00 O ATOM 0 H GLU A 56 3.253 -1.045 -10.922 1.00 0.00 H new ATOM 0 HA GLU A 56 1.754 0.260 -12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.803 -2.235 -11.851 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.407 -1.555 -11.038 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.166 -0.812 -13.581 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.789 -2.244 -13.913 1.00 0.00 H new ATOM 898 N GLU A 57 1.234 1.078 -9.875 1.00 0.00 N ATOM 899 CA GLU A 57 0.520 1.975 -8.978 1.00 0.00 C ATOM 900 C GLU A 57 1.318 3.247 -8.688 1.00 0.00 C ATOM 901 O GLU A 57 0.917 4.064 -7.860 1.00 0.00 O ATOM 902 CB GLU A 57 0.169 1.255 -7.678 1.00 0.00 C ATOM 903 CG GLU A 57 -1.178 0.553 -7.734 1.00 0.00 C ATOM 904 CD GLU A 57 -1.045 -0.944 -7.927 1.00 0.00 C ATOM 905 OE1 GLU A 57 -0.413 -1.599 -7.071 1.00 0.00 O ATOM 906 OE2 GLU A 57 -1.575 -1.462 -8.933 1.00 0.00 O ATOM 0 H GLU A 57 2.041 0.618 -9.453 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.401 2.276 -9.478 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.945 0.523 -7.453 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.164 1.975 -6.860 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -1.725 0.750 -6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.768 0.970 -8.550 1.00 0.00 H new ATOM 913 N VAL A 58 2.443 3.417 -9.383 1.00 0.00 N ATOM 914 CA VAL A 58 3.280 4.596 -9.205 1.00 0.00 C ATOM 915 C VAL A 58 3.661 5.170 -10.565 1.00 0.00 C ATOM 916 O VAL A 58 3.574 6.375 -10.792 1.00 0.00 O ATOM 917 CB VAL A 58 4.551 4.260 -8.381 1.00 0.00 C ATOM 918 CG1 VAL A 58 5.804 4.212 -9.250 1.00 0.00 C ATOM 919 CG2 VAL A 58 4.724 5.249 -7.236 1.00 0.00 C ATOM 0 H VAL A 58 2.792 2.752 -10.073 1.00 0.00 H new ATOM 0 HA VAL A 58 2.712 5.342 -8.650 1.00 0.00 H new ATOM 0 HB VAL A 58 4.413 3.262 -7.964 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.668 3.973 -8.630 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.686 3.447 -10.017 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.955 5.181 -9.725 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.621 4.997 -6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.820 6.258 -7.638 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.855 5.201 -6.580 1.00 0.00 H new ATOM 929 N GLY A 59 4.044 4.283 -11.475 1.00 0.00 N ATOM 930 CA GLY A 59 4.397 4.684 -12.824 1.00 0.00 C ATOM 931 C GLY A 59 5.662 5.508 -12.933 1.00 0.00 C ATOM 932 O GLY A 59 6.438 5.342 -13.872 1.00 0.00 O ATOM 0 H GLY A 59 4.117 3.281 -11.299 1.00 0.00 H new ATOM 0 HA2 GLY A 59 4.510 3.789 -13.436 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.570 5.256 -13.245 1.00 0.00 H new ATOM 936 N ILE A 60 5.862 6.401 -11.991 1.00 0.00 N ATOM 937 CA ILE A 60 7.034 7.263 -11.998 1.00 0.00 C ATOM 938 C ILE A 60 8.240 6.552 -11.404 1.00 0.00 C ATOM 939 O ILE A 60 8.184 5.361 -11.103 1.00 0.00 O ATOM 940 CB ILE A 60 6.804 8.594 -11.233 1.00 0.00 C ATOM 941 CG1 ILE A 60 5.583 8.528 -10.310 1.00 0.00 C ATOM 942 CG2 ILE A 60 6.661 9.749 -12.210 1.00 0.00 C ATOM 943 CD1 ILE A 60 5.750 7.570 -9.152 1.00 0.00 C ATOM 0 H ILE A 60 5.229 6.554 -11.206 1.00 0.00 H new ATOM 0 HA ILE A 60 7.223 7.502 -13.045 1.00 0.00 H new ATOM 0 HB ILE A 60 7.679 8.759 -10.605 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.379 9.525 -9.919 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.712 8.230 -10.894 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.500 10.675 -11.658 1.00 0.00 H new ATOM 0 HG22 ILE A 60 7.569 9.835 -12.807 1.00 0.00 H new ATOM 0 HG23 ILE A 60 5.811 9.566 -12.867 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.847 7.576 -8.542 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.923 6.564 -9.534 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.601 7.879 -8.544 1.00 0.00 H new ATOM 955 N THR A 61 9.332 7.293 -11.249 1.00 0.00 N ATOM 956 CA THR A 61 10.556 6.759 -10.700 1.00 0.00 C ATOM 957 C THR A 61 10.817 7.360 -9.325 1.00 0.00 C ATOM 958 O THR A 61 11.441 8.414 -9.211 1.00 0.00 O ATOM 959 CB THR A 61 11.693 7.112 -11.641 1.00 0.00 C ATOM 960 OG1 THR A 61 11.443 8.353 -12.279 1.00 0.00 O ATOM 961 CG2 THR A 61 11.915 6.080 -12.722 1.00 0.00 C ATOM 0 H THR A 61 9.385 8.279 -11.503 1.00 0.00 H new ATOM 0 HA THR A 61 10.477 5.677 -10.594 1.00 0.00 H new ATOM 0 HB THR A 61 12.585 7.158 -11.016 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.186 8.567 -12.881 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.741 6.393 -13.360 1.00 0.00 H new ATOM 0 HG22 THR A 61 12.153 5.120 -12.265 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.011 5.982 -13.322 1.00 0.00 H new ATOM 969 N PRO A 62 10.297 6.730 -8.263 1.00 0.00 N ATOM 970 CA PRO A 62 10.417 7.222 -6.911 1.00 0.00 C ATOM 971 C PRO A 62 11.315 6.388 -6.013 1.00 0.00 C ATOM 972 O PRO A 62 11.400 5.169 -6.165 1.00 0.00 O ATOM 973 CB PRO A 62 8.975 7.044 -6.463 1.00 0.00 C ATOM 974 CG PRO A 62 8.580 5.724 -7.058 1.00 0.00 C ATOM 975 CD PRO A 62 9.468 5.517 -8.269 1.00 0.00 C ATOM 0 HA PRO A 62 10.853 8.220 -6.861 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.891 7.035 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.340 7.853 -6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 62 8.713 4.918 -6.337 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.528 5.726 -7.344 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.070 4.613 -8.181 1.00 0.00 H new ATOM 0 HD3 PRO A 62 8.888 5.426 -9.187 1.00 0.00 H new ATOM 983 N GLN A 63 11.920 7.035 -5.022 1.00 0.00 N ATOM 984 CA GLN A 63 12.724 6.316 -4.056 1.00 0.00 C ATOM 985 C GLN A 63 11.742 5.602 -3.148 1.00 0.00 C ATOM 986 O GLN A 63 11.399 6.077 -2.068 1.00 0.00 O ATOM 987 CB GLN A 63 13.614 7.270 -3.259 1.00 0.00 C ATOM 988 CG GLN A 63 14.758 7.853 -4.071 1.00 0.00 C ATOM 989 CD GLN A 63 15.566 8.875 -3.296 1.00 0.00 C ATOM 990 OE1 GLN A 63 15.087 9.448 -2.316 1.00 0.00 O ATOM 991 NE2 GLN A 63 16.798 9.109 -3.730 1.00 0.00 N ATOM 0 H GLN A 63 11.867 8.043 -4.872 1.00 0.00 H new ATOM 0 HA GLN A 63 13.396 5.612 -4.547 1.00 0.00 H new ATOM 0 HB2 GLN A 63 13.003 8.085 -2.870 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.023 6.740 -2.399 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.416 7.046 -4.395 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.358 8.319 -4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 63 17.154 8.612 -4.546 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.389 9.786 -3.248 1.00 0.00 H new ATOM 1000 N HIS A 64 11.258 4.480 -3.641 1.00 0.00 N ATOM 1001 CA HIS A 64 10.258 3.694 -2.941 1.00 0.00 C ATOM 1002 C HIS A 64 10.705 2.253 -2.807 1.00 0.00 C ATOM 1003 O HIS A 64 11.129 1.631 -3.782 1.00 0.00 O ATOM 1004 CB HIS A 64 8.944 3.796 -3.723 1.00 0.00 C ATOM 1005 CG HIS A 64 7.849 2.844 -3.307 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.511 3.154 -3.442 1.00 0.00 N ATOM 1007 CD2 HIS A 64 7.886 1.591 -2.782 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.776 2.139 -3.020 1.00 0.00 C ATOM 1009 NE2 HIS A 64 6.586 1.181 -2.614 1.00 0.00 N ATOM 0 H HIS A 64 11.545 4.086 -4.537 1.00 0.00 H new ATOM 0 HA HIS A 64 10.117 4.078 -1.931 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.567 4.815 -3.630 1.00 0.00 H new ATOM 0 HB3 HIS A 64 9.159 3.631 -4.779 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.773 1.023 -2.542 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.697 2.101 -3.010 1.00 0.00 H new ATOM 0 HE2 HIS A 64 6.294 0.280 -2.236 1.00 0.00 H new ATOM 1018 N PHE A 65 10.602 1.724 -1.594 1.00 0.00 N ATOM 1019 CA PHE A 65 10.991 0.361 -1.321 1.00 0.00 C ATOM 1020 C PHE A 65 10.940 0.085 0.179 1.00 0.00 C ATOM 1021 O PHE A 65 10.400 0.874 0.944 1.00 0.00 O ATOM 1022 CB PHE A 65 12.407 0.143 -1.823 1.00 0.00 C ATOM 1023 CG PHE A 65 12.631 -1.161 -2.548 1.00 0.00 C ATOM 1024 CD1 PHE A 65 11.732 -2.216 -2.432 1.00 0.00 C ATOM 1025 CD2 PHE A 65 13.744 -1.328 -3.357 1.00 0.00 C ATOM 1026 CE1 PHE A 65 11.944 -3.403 -3.106 1.00 0.00 C ATOM 1027 CE2 PHE A 65 13.958 -2.513 -4.035 1.00 0.00 C ATOM 1028 CZ PHE A 65 13.057 -3.553 -3.909 1.00 0.00 C ATOM 0 H PHE A 65 10.248 2.230 -0.782 1.00 0.00 H new ATOM 0 HA PHE A 65 10.303 -0.316 -1.827 1.00 0.00 H new ATOM 0 HB2 PHE A 65 12.670 0.963 -2.491 1.00 0.00 H new ATOM 0 HB3 PHE A 65 13.089 0.192 -0.974 1.00 0.00 H new ATOM 0 HD1 PHE A 65 10.858 -2.106 -1.808 1.00 0.00 H new ATOM 0 HD2 PHE A 65 14.454 -0.521 -3.459 1.00 0.00 H new ATOM 0 HE1 PHE A 65 11.238 -4.214 -3.005 1.00 0.00 H new ATOM 0 HE2 PHE A 65 14.829 -2.626 -4.663 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.223 -4.480 -4.437 1.00 0.00 H new ATOM 1038 N SER A 66 11.516 -1.037 0.584 1.00 0.00 N ATOM 1039 CA SER A 66 11.560 -1.427 1.988 1.00 0.00 C ATOM 1040 C SER A 66 10.192 -1.873 2.467 1.00 0.00 C ATOM 1041 O SER A 66 9.178 -1.517 1.876 1.00 0.00 O ATOM 1042 CB SER A 66 12.066 -0.269 2.855 1.00 0.00 C ATOM 1043 OG SER A 66 12.904 0.597 2.110 1.00 0.00 O ATOM 0 H SER A 66 11.965 -1.701 -0.047 1.00 0.00 H new ATOM 0 HA SER A 66 12.252 -2.264 2.082 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.218 0.291 3.250 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.614 -0.664 3.711 1.00 0.00 H new ATOM 0 HG SER A 66 13.212 1.328 2.685 1.00 0.00 H new ATOM 1049 N LEU A 67 10.174 -2.655 3.538 1.00 0.00 N ATOM 1050 CA LEU A 67 8.927 -3.154 4.098 1.00 0.00 C ATOM 1051 C LEU A 67 8.759 -2.686 5.537 1.00 0.00 C ATOM 1052 O LEU A 67 9.514 -3.089 6.420 1.00 0.00 O ATOM 1053 CB LEU A 67 8.891 -4.683 4.033 1.00 0.00 C ATOM 1054 CG LEU A 67 7.711 -5.340 4.756 1.00 0.00 C ATOM 1055 CD1 LEU A 67 7.137 -6.477 3.923 1.00 0.00 C ATOM 1056 CD2 LEU A 67 8.140 -5.844 6.126 1.00 0.00 C ATOM 0 H LEU A 67 11.011 -2.957 4.037 1.00 0.00 H new ATOM 0 HA LEU A 67 8.102 -2.756 3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.869 -4.986 2.986 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.817 -5.070 4.457 1.00 0.00 H new ATOM 0 HG LEU A 67 6.932 -4.590 4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.300 -6.930 4.454 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.791 -6.088 2.965 1.00 0.00 H new ATOM 0 HD13 LEU A 67 7.908 -7.228 3.752 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.290 -6.308 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.937 -6.578 6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.501 -5.008 6.725 1.00 0.00 H new ATOM 1068 N PHE A 68 7.766 -1.833 5.771 1.00 0.00 N ATOM 1069 CA PHE A 68 7.514 -1.318 7.107 1.00 0.00 C ATOM 1070 C PHE A 68 6.839 -2.400 7.951 1.00 0.00 C ATOM 1071 O PHE A 68 7.121 -2.551 9.141 1.00 0.00 O ATOM 1072 CB PHE A 68 6.648 -0.047 7.026 1.00 0.00 C ATOM 1073 CG PHE A 68 5.407 -0.065 7.882 1.00 0.00 C ATOM 1074 CD1 PHE A 68 4.336 -0.879 7.554 1.00 0.00 C ATOM 1075 CD2 PHE A 68 5.313 0.739 9.007 1.00 0.00 C ATOM 1076 CE1 PHE A 68 3.194 -0.896 8.332 1.00 0.00 C ATOM 1077 CE2 PHE A 68 4.172 0.729 9.790 1.00 0.00 C ATOM 1078 CZ PHE A 68 3.111 -0.090 9.451 1.00 0.00 C ATOM 0 H PHE A 68 7.127 -1.487 5.055 1.00 0.00 H new ATOM 0 HA PHE A 68 8.457 -1.049 7.584 1.00 0.00 H new ATOM 0 HB2 PHE A 68 7.258 0.809 7.315 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.353 0.108 5.988 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.394 -1.509 6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.139 1.380 9.276 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.368 -1.538 8.066 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.110 1.360 10.664 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.219 -0.100 10.060 1.00 0.00 H new ATOM 1088 N GLU A 69 5.950 -3.150 7.308 1.00 0.00 N ATOM 1089 CA GLU A 69 5.225 -4.230 7.969 1.00 0.00 C ATOM 1090 C GLU A 69 4.433 -5.053 6.959 1.00 0.00 C ATOM 1091 O GLU A 69 4.249 -4.638 5.819 1.00 0.00 O ATOM 1092 CB GLU A 69 4.283 -3.661 9.032 1.00 0.00 C ATOM 1093 CG GLU A 69 4.188 -4.518 10.283 1.00 0.00 C ATOM 1094 CD GLU A 69 3.758 -3.725 11.502 1.00 0.00 C ATOM 1095 OE1 GLU A 69 4.591 -2.963 12.039 1.00 0.00 O ATOM 1096 OE2 GLU A 69 2.589 -3.864 11.919 1.00 0.00 O ATOM 0 H GLU A 69 5.713 -3.029 6.323 1.00 0.00 H new ATOM 0 HA GLU A 69 5.954 -4.883 8.449 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.623 -2.663 9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.288 -3.550 8.601 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.478 -5.327 10.112 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.156 -4.979 10.477 1.00 0.00 H new ATOM 1103 N LYS A 70 3.957 -6.217 7.384 1.00 0.00 N ATOM 1104 CA LYS A 70 3.171 -7.088 6.519 1.00 0.00 C ATOM 1105 C LYS A 70 2.084 -7.774 7.341 1.00 0.00 C ATOM 1106 O LYS A 70 2.360 -8.294 8.423 1.00 0.00 O ATOM 1107 CB LYS A 70 4.065 -8.133 5.849 1.00 0.00 C ATOM 1108 CG LYS A 70 5.009 -8.834 6.812 1.00 0.00 C ATOM 1109 CD LYS A 70 6.191 -9.453 6.083 1.00 0.00 C ATOM 1110 CE LYS A 70 7.471 -9.328 6.893 1.00 0.00 C ATOM 1111 NZ LYS A 70 8.680 -9.324 6.023 1.00 0.00 N ATOM 0 H LYS A 70 4.102 -6.581 8.326 1.00 0.00 H new ATOM 0 HA LYS A 70 2.708 -6.485 5.737 1.00 0.00 H new ATOM 0 HB2 LYS A 70 3.436 -8.879 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.650 -7.650 5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.370 -8.121 7.553 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.468 -9.610 7.354 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.987 -10.505 5.883 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.321 -8.965 5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.442 -8.409 7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.535 -10.155 7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.521 -9.119 6.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.787 -10.256 5.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.577 -8.595 5.289 1.00 0.00 H new ATOM 1125 N LEU A 71 0.848 -7.767 6.849 1.00 0.00 N ATOM 1126 CA LEU A 71 -0.245 -8.384 7.583 1.00 0.00 C ATOM 1127 C LEU A 71 -0.570 -9.789 7.067 1.00 0.00 C ATOM 1128 O LEU A 71 -0.981 -9.982 5.923 1.00 0.00 O ATOM 1129 CB LEU A 71 -1.488 -7.480 7.512 1.00 0.00 C ATOM 1130 CG LEU A 71 -2.798 -8.159 7.089 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -3.293 -9.098 8.179 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -3.855 -7.115 6.760 1.00 0.00 C ATOM 0 H LEU A 71 0.584 -7.347 5.958 1.00 0.00 H new ATOM 0 HA LEU A 71 0.069 -8.495 8.621 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.638 -7.027 8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.282 -6.669 6.814 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.606 -8.749 6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.222 -9.569 7.859 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.543 -9.866 8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.469 -8.533 9.094 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.778 -7.613 6.462 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.043 -6.498 7.639 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.502 -6.485 5.943 1.00 0.00 H new ATOM 1144 N GLU A 72 -0.357 -10.756 7.945 1.00 0.00 N ATOM 1145 CA GLU A 72 -0.604 -12.145 7.620 1.00 0.00 C ATOM 1146 C GLU A 72 -1.720 -12.721 8.487 1.00 0.00 C ATOM 1147 O GLU A 72 -1.533 -12.974 9.678 1.00 0.00 O ATOM 1148 CB GLU A 72 0.682 -12.945 7.798 1.00 0.00 C ATOM 1149 CG GLU A 72 0.488 -14.425 7.585 1.00 0.00 C ATOM 1150 CD GLU A 72 1.748 -15.228 7.843 1.00 0.00 C ATOM 1151 OE1 GLU A 72 1.964 -15.636 9.003 1.00 0.00 O ATOM 1152 OE2 GLU A 72 2.518 -15.447 6.885 1.00 0.00 O ATOM 0 H GLU A 72 -0.012 -10.600 8.892 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.927 -12.211 6.581 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.432 -12.578 7.098 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.073 -12.776 8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.305 -14.781 8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 72 0.155 -14.599 6.562 1.00 0.00 H new ATOM 1159 N TYR A 73 -2.879 -12.936 7.869 1.00 0.00 N ATOM 1160 CA TYR A 73 -4.035 -13.495 8.562 1.00 0.00 C ATOM 1161 C TYR A 73 -4.822 -14.428 7.645 1.00 0.00 C ATOM 1162 O TYR A 73 -5.231 -14.031 6.557 1.00 0.00 O ATOM 1163 CB TYR A 73 -4.942 -12.373 9.072 1.00 0.00 C ATOM 1164 CG TYR A 73 -5.845 -12.788 10.213 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -5.371 -13.592 11.243 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -7.169 -12.374 10.261 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -6.195 -13.972 12.287 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -7.997 -12.750 11.301 1.00 0.00 C ATOM 1169 CZ TYR A 73 -7.505 -13.549 12.311 1.00 0.00 C ATOM 1170 OH TYR A 73 -8.327 -13.924 13.348 1.00 0.00 O ATOM 0 H TYR A 73 -3.042 -12.730 6.883 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.673 -14.073 9.412 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.322 -11.537 9.397 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.557 -12.012 8.247 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -4.344 -13.925 11.228 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.558 -11.747 9.472 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -5.812 -14.598 13.080 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.025 -12.420 11.323 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.219 -13.540 13.214 1.00 0.00 H new ATOM 1180 N GLU A 74 -5.058 -15.659 8.087 1.00 0.00 N ATOM 1181 CA GLU A 74 -5.827 -16.609 7.287 1.00 0.00 C ATOM 1182 C GLU A 74 -7.054 -17.094 8.049 1.00 0.00 C ATOM 1183 O GLU A 74 -6.942 -17.713 9.108 1.00 0.00 O ATOM 1184 CB GLU A 74 -4.970 -17.797 6.846 1.00 0.00 C ATOM 1185 CG GLU A 74 -4.067 -18.345 7.939 1.00 0.00 C ATOM 1186 CD GLU A 74 -2.805 -18.982 7.387 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -2.014 -18.265 6.739 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -2.611 -20.196 7.602 1.00 0.00 O ATOM 0 H GLU A 74 -4.733 -16.020 8.984 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.159 -16.085 6.391 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -5.625 -18.595 6.496 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -4.355 -17.494 5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -3.795 -17.538 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -4.617 -19.083 8.524 1.00 0.00 H new ATOM 1195 N PHE A 75 -8.225 -16.800 7.500 1.00 0.00 N ATOM 1196 CA PHE A 75 -9.488 -17.182 8.100 1.00 0.00 C ATOM 1197 C PHE A 75 -9.830 -18.637 7.770 1.00 0.00 C ATOM 1198 O PHE A 75 -9.258 -19.219 6.852 1.00 0.00 O ATOM 1199 CB PHE A 75 -10.586 -16.251 7.591 1.00 0.00 C ATOM 1200 CG PHE A 75 -10.716 -14.971 8.368 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -11.557 -14.892 9.467 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -10.000 -13.845 7.993 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -11.679 -13.713 10.178 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -10.118 -12.664 8.701 1.00 0.00 C ATOM 1205 CZ PHE A 75 -10.959 -12.598 9.795 1.00 0.00 C ATOM 0 H PHE A 75 -8.322 -16.288 6.623 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.408 -17.095 9.184 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -10.388 -16.011 6.546 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -11.539 -16.780 7.621 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -12.123 -15.760 9.771 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.342 -13.891 7.138 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -12.337 -13.663 11.033 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -9.554 -11.794 8.399 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.053 -11.676 10.350 1.00 0.00 H new ATOM 1215 N PRO A 76 -10.773 -19.242 8.518 1.00 0.00 N ATOM 1216 CA PRO A 76 -11.206 -20.626 8.304 1.00 0.00 C ATOM 1217 C PRO A 76 -11.551 -20.896 6.845 1.00 0.00 C ATOM 1218 O PRO A 76 -12.704 -20.773 6.434 1.00 0.00 O ATOM 1219 CB PRO A 76 -12.457 -20.764 9.187 1.00 0.00 C ATOM 1220 CG PRO A 76 -12.798 -19.373 9.610 1.00 0.00 C ATOM 1221 CD PRO A 76 -11.503 -18.619 9.614 1.00 0.00 C ATOM 0 HA PRO A 76 -10.421 -21.340 8.554 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -13.279 -21.220 8.635 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -12.261 -21.400 10.050 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -13.513 -18.919 8.923 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -13.258 -19.366 10.598 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -11.654 -17.552 9.447 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -10.976 -18.722 10.563 1.00 0.00 H new ATOM 1229 N ASP A 77 -10.524 -21.245 6.077 1.00 0.00 N ATOM 1230 CA ASP A 77 -10.647 -21.529 4.638 1.00 0.00 C ATOM 1231 C ASP A 77 -10.380 -20.263 3.830 1.00 0.00 C ATOM 1232 O ASP A 77 -10.906 -20.082 2.733 1.00 0.00 O ATOM 1233 CB ASP A 77 -12.026 -22.099 4.283 1.00 0.00 C ATOM 1234 CG ASP A 77 -12.457 -23.209 5.223 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -11.702 -24.194 5.363 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -13.549 -23.094 5.817 1.00 0.00 O ATOM 0 H ASP A 77 -9.572 -21.341 6.432 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.903 -22.285 4.387 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -12.764 -21.298 4.310 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.006 -22.480 3.262 1.00 0.00 H new ATOM 1241 N ARG A 78 -9.558 -19.391 4.400 1.00 0.00 N ATOM 1242 CA ARG A 78 -9.196 -18.128 3.777 1.00 0.00 C ATOM 1243 C ARG A 78 -7.707 -17.856 3.946 1.00 0.00 C ATOM 1244 O ARG A 78 -7.089 -18.303 4.913 1.00 0.00 O ATOM 1245 CB ARG A 78 -10.010 -16.977 4.357 1.00 0.00 C ATOM 1246 CG ARG A 78 -10.068 -15.766 3.442 1.00 0.00 C ATOM 1247 CD ARG A 78 -11.438 -15.108 3.472 1.00 0.00 C ATOM 1248 NE ARG A 78 -11.716 -14.367 2.244 1.00 0.00 N ATOM 1249 CZ ARG A 78 -11.105 -13.234 1.907 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -10.184 -12.706 2.704 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -11.415 -12.626 0.771 1.00 0.00 N ATOM 0 H ARG A 78 -9.123 -19.542 5.310 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.421 -18.203 2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.024 -17.322 4.557 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.579 -16.681 5.314 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.310 -15.044 3.745 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.831 -16.068 2.422 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.203 -15.871 3.616 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.497 -14.432 4.325 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.420 -14.740 1.607 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.941 -13.169 3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.719 -11.837 2.440 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.122 -13.027 0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.946 -11.757 0.513 1.00 0.00 H new ATOM 1265 N HIS A 79 -7.145 -17.095 3.020 1.00 0.00 N ATOM 1266 CA HIS A 79 -5.742 -16.726 3.074 1.00 0.00 C ATOM 1267 C HIS A 79 -5.547 -15.329 2.492 1.00 0.00 C ATOM 1268 O HIS A 79 -5.639 -15.142 1.280 1.00 0.00 O ATOM 1269 CB HIS A 79 -4.890 -17.744 2.316 1.00 0.00 C ATOM 1270 CG HIS A 79 -4.101 -18.648 3.210 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -4.395 -19.986 3.377 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -3.021 -18.402 3.990 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -3.531 -20.522 4.219 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -2.687 -19.584 4.605 1.00 0.00 N ATOM 0 H HIS A 79 -7.646 -16.719 2.215 1.00 0.00 H new ATOM 0 HA HIS A 79 -5.422 -16.721 4.116 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.539 -18.349 1.683 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.205 -17.212 1.655 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -2.517 -17.454 4.106 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -3.517 -21.554 4.538 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -1.912 -19.715 5.255 1.00 0.00 H new ATOM 1283 N ILE A 80 -5.262 -14.352 3.345 1.00 0.00 N ATOM 1284 CA ILE A 80 -5.039 -12.992 2.895 1.00 0.00 C ATOM 1285 C ILE A 80 -3.666 -12.527 3.363 1.00 0.00 C ATOM 1286 O ILE A 80 -3.278 -12.774 4.504 1.00 0.00 O ATOM 1287 CB ILE A 80 -6.129 -12.037 3.427 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -5.756 -10.590 3.130 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -6.336 -12.236 4.919 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -6.926 -9.736 2.692 1.00 0.00 C ATOM 0 H ILE A 80 -5.181 -14.481 4.353 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.086 -12.976 1.806 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.065 -12.267 2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.310 -10.149 4.021 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.994 -10.573 2.351 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.108 -11.553 5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.645 -13.264 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -5.403 -12.034 5.446 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.583 -8.720 2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.359 -10.152 1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -7.680 -9.721 3.479 1.00 0.00 H new ATOM 1302 N THR A 81 -2.925 -11.865 2.483 1.00 0.00 N ATOM 1303 CA THR A 81 -1.598 -11.390 2.824 1.00 0.00 C ATOM 1304 C THR A 81 -1.393 -9.953 2.347 1.00 0.00 C ATOM 1305 O THR A 81 -1.445 -9.680 1.151 1.00 0.00 O ATOM 1306 CB THR A 81 -0.563 -12.303 2.172 1.00 0.00 C ATOM 1307 OG1 THR A 81 -1.188 -13.200 1.269 1.00 0.00 O ATOM 1308 CG2 THR A 81 0.225 -13.130 3.160 1.00 0.00 C ATOM 0 H THR A 81 -3.223 -11.647 1.532 1.00 0.00 H new ATOM 0 HA THR A 81 -1.484 -11.406 3.908 1.00 0.00 H new ATOM 0 HB THR A 81 0.126 -11.632 1.659 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.772 -14.084 1.345 1.00 0.00 H new ATOM 0 HG21 THR A 81 0.940 -13.753 2.624 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.760 -12.470 3.843 1.00 0.00 H new ATOM 0 HG23 THR A 81 -0.455 -13.765 3.728 1.00 0.00 H new ATOM 1316 N LEU A 82 -1.154 -9.041 3.280 1.00 0.00 N ATOM 1317 CA LEU A 82 -0.936 -7.641 2.928 1.00 0.00 C ATOM 1318 C LEU A 82 0.474 -7.203 3.308 1.00 0.00 C ATOM 1319 O LEU A 82 0.819 -7.161 4.479 1.00 0.00 O ATOM 1320 CB LEU A 82 -1.973 -6.751 3.616 1.00 0.00 C ATOM 1321 CG LEU A 82 -3.132 -6.305 2.720 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -4.310 -5.839 3.558 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -2.677 -5.204 1.775 1.00 0.00 C ATOM 0 H LEU A 82 -1.106 -9.241 4.279 1.00 0.00 H new ATOM 0 HA LEU A 82 -1.048 -7.538 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -2.380 -7.288 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -1.471 -5.865 4.004 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.456 -7.159 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.122 -5.527 2.902 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.651 -6.657 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.003 -4.999 4.181 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.512 -4.898 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -2.327 -4.349 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -1.866 -5.575 1.148 1.00 0.00 H new ATOM 1335 N TRP A 83 1.289 -6.877 2.314 1.00 0.00 N ATOM 1336 CA TRP A 83 2.659 -6.450 2.574 1.00 0.00 C ATOM 1337 C TRP A 83 2.796 -4.939 2.449 1.00 0.00 C ATOM 1338 O TRP A 83 2.503 -4.365 1.403 1.00 0.00 O ATOM 1339 CB TRP A 83 3.625 -7.137 1.605 1.00 0.00 C ATOM 1340 CG TRP A 83 3.712 -8.620 1.800 1.00 0.00 C ATOM 1341 CD1 TRP A 83 2.715 -9.449 2.222 1.00 0.00 C ATOM 1342 CD2 TRP A 83 4.858 -9.450 1.579 1.00 0.00 C ATOM 1343 NE1 TRP A 83 3.168 -10.743 2.277 1.00 0.00 N ATOM 1344 CE2 TRP A 83 4.482 -10.770 1.888 1.00 0.00 C ATOM 1345 CE3 TRP A 83 6.166 -9.205 1.149 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 5.365 -11.841 1.781 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 7.043 -10.269 1.044 1.00 0.00 C ATOM 1348 CH2 TRP A 83 6.639 -11.573 1.358 1.00 0.00 C ATOM 0 H TRP A 83 1.029 -6.899 1.328 1.00 0.00 H new ATOM 0 HA TRP A 83 2.909 -6.737 3.595 1.00 0.00 H new ATOM 0 HB2 TRP A 83 3.309 -6.931 0.582 1.00 0.00 H new ATOM 0 HB3 TRP A 83 4.618 -6.704 1.726 1.00 0.00 H new ATOM 0 HD1 TRP A 83 1.714 -9.133 2.476 1.00 0.00 H new ATOM 0 HE1 TRP A 83 2.617 -11.553 2.561 1.00 0.00 H new ATOM 0 HE3 TRP A 83 6.485 -8.203 0.903 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 5.056 -12.847 2.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 8.056 -10.092 0.714 1.00 0.00 H new ATOM 0 HH2 TRP A 83 7.347 -12.383 1.264 1.00 0.00 H new ATOM 1359 N PHE A 84 3.263 -4.298 3.516 1.00 0.00 N ATOM 1360 CA PHE A 84 3.454 -2.854 3.507 1.00 0.00 C ATOM 1361 C PHE A 84 4.918 -2.520 3.210 1.00 0.00 C ATOM 1362 O PHE A 84 5.816 -2.921 3.952 1.00 0.00 O ATOM 1363 CB PHE A 84 3.011 -2.224 4.840 1.00 0.00 C ATOM 1364 CG PHE A 84 1.517 -2.051 4.974 1.00 0.00 C ATOM 1365 CD1 PHE A 84 0.645 -2.830 4.227 1.00 0.00 C ATOM 1366 CD2 PHE A 84 0.982 -1.110 5.849 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -0.723 -2.675 4.346 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -0.385 -0.955 5.970 1.00 0.00 C ATOM 1369 CZ PHE A 84 -1.238 -1.736 5.218 1.00 0.00 C ATOM 0 H PHE A 84 3.515 -4.754 4.393 1.00 0.00 H new ATOM 0 HA PHE A 84 2.830 -2.431 2.720 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.369 -2.846 5.660 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.490 -1.250 4.946 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.041 -3.567 3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 84 1.643 -0.494 6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -1.389 -3.288 3.757 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.786 -0.222 6.654 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.307 -1.613 5.311 1.00 0.00 H new ATOM 1379 N TRP A 85 5.154 -1.776 2.129 1.00 0.00 N ATOM 1380 CA TRP A 85 6.511 -1.384 1.747 1.00 0.00 C ATOM 1381 C TRP A 85 6.781 0.057 2.164 1.00 0.00 C ATOM 1382 O TRP A 85 6.045 0.963 1.769 1.00 0.00 O ATOM 1383 CB TRP A 85 6.708 -1.549 0.239 1.00 0.00 C ATOM 1384 CG TRP A 85 6.551 -2.966 -0.221 1.00 0.00 C ATOM 1385 CD1 TRP A 85 5.396 -3.575 -0.618 1.00 0.00 C ATOM 1386 CD2 TRP A 85 7.583 -3.953 -0.325 1.00 0.00 C ATOM 1387 NE1 TRP A 85 5.647 -4.881 -0.964 1.00 0.00 N ATOM 1388 CE2 TRP A 85 6.983 -5.136 -0.794 1.00 0.00 C ATOM 1389 CE3 TRP A 85 8.958 -3.951 -0.071 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 7.709 -6.304 -1.012 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 9.677 -5.111 -0.286 1.00 0.00 C ATOM 1392 CH2 TRP A 85 9.051 -6.274 -0.754 1.00 0.00 C ATOM 0 H TRP A 85 4.425 -1.433 1.504 1.00 0.00 H new ATOM 0 HA TRP A 85 7.219 -2.033 2.261 1.00 0.00 H new ATOM 0 HB2 TRP A 85 5.989 -0.921 -0.287 1.00 0.00 H new ATOM 0 HB3 TRP A 85 7.702 -1.193 -0.033 1.00 0.00 H new ATOM 0 HD1 TRP A 85 4.427 -3.100 -0.655 1.00 0.00 H new ATOM 0 HE1 TRP A 85 4.952 -5.551 -1.294 1.00 0.00 H new ATOM 0 HE3 TRP A 85 9.449 -3.058 0.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 7.229 -7.202 -1.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 10.739 -5.122 -0.090 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.641 -7.165 -0.914 1.00 0.00 H new ATOM 1403 N LEU A 86 7.792 0.272 3.011 1.00 0.00 N ATOM 1404 CA LEU A 86 8.049 1.625 3.496 1.00 0.00 C ATOM 1405 C LEU A 86 8.769 2.504 2.467 1.00 0.00 C ATOM 1406 O LEU A 86 9.991 2.479 2.341 1.00 0.00 O ATOM 1407 CB LEU A 86 8.880 1.559 4.778 1.00 0.00 C ATOM 1408 CG LEU A 86 8.910 2.847 5.604 1.00 0.00 C ATOM 1409 CD1 LEU A 86 9.754 3.906 4.912 1.00 0.00 C ATOM 1410 CD2 LEU A 86 7.497 3.361 5.844 1.00 0.00 C ATOM 0 H LEU A 86 8.424 -0.447 3.363 1.00 0.00 H new ATOM 0 HA LEU A 86 7.079 2.084 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.491 0.755 5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 86 9.903 1.291 4.515 1.00 0.00 H new ATOM 0 HG LEU A 86 9.363 2.625 6.570 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.763 4.814 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 86 10.773 3.539 4.793 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.331 4.125 3.932 1.00 0.00 H new ATOM 0 HD21 LEU A 86 7.538 4.277 6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.017 3.566 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.923 2.608 6.384 1.00 0.00 H new ATOM 1422 N VAL A 87 7.970 3.287 1.750 1.00 0.00 N ATOM 1423 CA VAL A 87 8.451 4.201 0.709 1.00 0.00 C ATOM 1424 C VAL A 87 9.128 5.413 1.297 1.00 0.00 C ATOM 1425 O VAL A 87 8.734 5.889 2.361 1.00 0.00 O ATOM 1426 CB VAL A 87 7.304 4.696 -0.162 1.00 0.00 C ATOM 1427 CG1 VAL A 87 7.819 5.404 -1.404 1.00 0.00 C ATOM 1428 CG2 VAL A 87 6.393 3.537 -0.520 1.00 0.00 C ATOM 0 H VAL A 87 6.958 3.308 1.873 1.00 0.00 H new ATOM 0 HA VAL A 87 9.164 3.631 0.114 1.00 0.00 H new ATOM 0 HB VAL A 87 6.727 5.428 0.403 1.00 0.00 H new ATOM 0 HG11 VAL A 87 6.976 5.745 -2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.425 6.261 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.426 4.715 -1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.574 3.897 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.960 2.783 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.989 3.097 0.392 1.00 0.00 H new ATOM 1438 N GLU A 88 10.158 5.911 0.622 1.00 0.00 N ATOM 1439 CA GLU A 88 10.866 7.068 1.142 1.00 0.00 C ATOM 1440 C GLU A 88 10.732 8.333 0.278 1.00 0.00 C ATOM 1441 O GLU A 88 10.790 9.440 0.815 1.00 0.00 O ATOM 1442 CB GLU A 88 12.344 6.734 1.350 1.00 0.00 C ATOM 1443 CG GLU A 88 13.079 6.397 0.064 1.00 0.00 C ATOM 1444 CD GLU A 88 14.574 6.248 0.269 1.00 0.00 C ATOM 1445 OE1 GLU A 88 15.164 7.095 0.972 1.00 0.00 O ATOM 1446 OE2 GLU A 88 15.154 5.283 -0.272 1.00 0.00 O ATOM 0 H GLU A 88 10.512 5.543 -0.261 1.00 0.00 H new ATOM 0 HA GLU A 88 10.390 7.302 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.835 7.581 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.424 5.891 2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.678 5.470 -0.347 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.893 7.179 -0.672 1.00 0.00 H new ATOM 1453 N ARG A 89 10.583 8.204 -1.043 1.00 0.00 N ATOM 1454 CA ARG A 89 10.478 9.397 -1.887 1.00 0.00 C ATOM 1455 C ARG A 89 9.919 9.070 -3.271 1.00 0.00 C ATOM 1456 O ARG A 89 9.886 7.909 -3.677 1.00 0.00 O ATOM 1457 CB ARG A 89 11.857 10.085 -1.977 1.00 0.00 C ATOM 1458 CG ARG A 89 12.314 10.473 -3.382 1.00 0.00 C ATOM 1459 CD ARG A 89 11.845 11.870 -3.756 1.00 0.00 C ATOM 1460 NE ARG A 89 12.936 12.840 -3.720 1.00 0.00 N ATOM 1461 CZ ARG A 89 12.874 14.048 -4.278 1.00 0.00 C ATOM 1462 NH1 ARG A 89 11.775 14.435 -4.916 1.00 0.00 N ATOM 1463 NH2 ARG A 89 13.911 14.869 -4.198 1.00 0.00 N ATOM 0 H ARG A 89 10.533 7.314 -1.540 1.00 0.00 H new ATOM 0 HA ARG A 89 9.769 10.086 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.835 10.984 -1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.603 9.420 -1.543 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.402 10.426 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.927 9.753 -4.103 1.00 0.00 H new ATOM 0 HD2 ARG A 89 11.409 11.851 -4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.058 12.184 -3.071 1.00 0.00 H new ATOM 0 HE ARG A 89 13.796 12.577 -3.239 1.00 0.00 H new ATOM 0 HH11 ARG A 89 10.974 13.806 -4.980 1.00 0.00 H new ATOM 0 HH12 ARG A 89 11.732 15.361 -5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 89 14.757 14.576 -3.709 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.863 15.794 -4.625 1.00 0.00 H new ATOM 1477 N TRP A 90 9.504 10.109 -3.998 1.00 0.00 N ATOM 1478 CA TRP A 90 8.977 9.931 -5.348 1.00 0.00 C ATOM 1479 C TRP A 90 9.265 11.148 -6.225 1.00 0.00 C ATOM 1480 O TRP A 90 8.976 12.283 -5.845 1.00 0.00 O ATOM 1481 CB TRP A 90 7.474 9.624 -5.311 1.00 0.00 C ATOM 1482 CG TRP A 90 6.593 10.828 -5.183 1.00 0.00 C ATOM 1483 CD1 TRP A 90 6.331 11.763 -6.143 1.00 0.00 C ATOM 1484 CD2 TRP A 90 5.839 11.209 -4.033 1.00 0.00 C ATOM 1485 NE1 TRP A 90 5.460 12.706 -5.656 1.00 0.00 N ATOM 1486 CE2 TRP A 90 5.142 12.387 -4.362 1.00 0.00 C ATOM 1487 CE3 TRP A 90 5.686 10.667 -2.756 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 4.303 13.031 -3.458 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 4.853 11.307 -1.860 1.00 0.00 C ATOM 1490 CH2 TRP A 90 4.169 12.478 -2.215 1.00 0.00 C ATOM 0 H TRP A 90 9.523 11.076 -3.675 1.00 0.00 H new ATOM 0 HA TRP A 90 9.488 9.077 -5.793 1.00 0.00 H new ATOM 0 HB2 TRP A 90 7.204 9.088 -6.221 1.00 0.00 H new ATOM 0 HB3 TRP A 90 7.274 8.954 -4.475 1.00 0.00 H new ATOM 0 HD1 TRP A 90 6.748 11.761 -7.139 1.00 0.00 H new ATOM 0 HE1 TRP A 90 5.108 13.512 -6.173 1.00 0.00 H new ATOM 0 HE3 TRP A 90 6.209 9.765 -2.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 3.777 13.935 -3.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 4.726 10.898 -0.868 1.00 0.00 H new ATOM 0 HH2 TRP A 90 3.523 12.953 -1.492 1.00 0.00 H new ATOM 1501 N GLU A 91 9.845 10.903 -7.403 1.00 0.00 N ATOM 1502 CA GLU A 91 10.174 11.981 -8.330 1.00 0.00 C ATOM 1503 C GLU A 91 8.932 12.456 -9.075 1.00 0.00 C ATOM 1504 O GLU A 91 8.041 11.666 -9.384 1.00 0.00 O ATOM 1505 CB GLU A 91 11.238 11.519 -9.329 1.00 0.00 C ATOM 1506 CG GLU A 91 11.642 12.592 -10.329 1.00 0.00 C ATOM 1507 CD GLU A 91 11.202 12.270 -11.744 1.00 0.00 C ATOM 1508 OE1 GLU A 91 10.041 12.577 -12.090 1.00 0.00 O ATOM 1509 OE2 GLU A 91 12.017 11.709 -12.507 1.00 0.00 O ATOM 0 H GLU A 91 10.094 9.971 -7.733 1.00 0.00 H new ATOM 0 HA GLU A 91 10.569 12.815 -7.751 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.122 11.194 -8.781 1.00 0.00 H new ATOM 0 HB3 GLU A 91 10.862 10.651 -9.872 1.00 0.00 H new ATOM 0 HG2 GLU A 91 11.209 13.546 -10.027 1.00 0.00 H new ATOM 0 HG3 GLU A 91 12.725 12.713 -10.308 1.00 0.00 H new ATOM 1516 N GLY A 92 8.879 13.754 -9.361 1.00 0.00 N ATOM 1517 CA GLY A 92 7.741 14.313 -10.066 1.00 0.00 C ATOM 1518 C GLY A 92 6.434 14.070 -9.338 1.00 0.00 C ATOM 1519 O GLY A 92 6.299 14.412 -8.163 1.00 0.00 O ATOM 0 H GLY A 92 9.605 14.428 -9.117 1.00 0.00 H new ATOM 0 HA2 GLY A 92 7.888 15.385 -10.195 1.00 0.00 H new ATOM 0 HA3 GLY A 92 7.685 13.877 -11.063 1.00 0.00 H new ATOM 1523 N GLU A 93 5.471 13.479 -10.036 1.00 0.00 N ATOM 1524 CA GLU A 93 4.169 13.190 -9.447 1.00 0.00 C ATOM 1525 C GLU A 93 3.852 11.697 -9.535 1.00 0.00 C ATOM 1526 O GLU A 93 4.127 11.061 -10.552 1.00 0.00 O ATOM 1527 CB GLU A 93 3.077 13.996 -10.153 1.00 0.00 C ATOM 1528 CG GLU A 93 1.685 13.761 -9.589 1.00 0.00 C ATOM 1529 CD GLU A 93 0.667 14.750 -10.120 1.00 0.00 C ATOM 1530 OE1 GLU A 93 0.725 15.933 -9.723 1.00 0.00 O ATOM 1531 OE2 GLU A 93 -0.189 14.342 -10.935 1.00 0.00 O ATOM 0 H GLU A 93 5.567 13.191 -11.010 1.00 0.00 H new ATOM 0 HA GLU A 93 4.201 13.476 -8.396 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.315 15.057 -10.079 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.078 13.742 -11.213 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.364 12.748 -9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.721 13.830 -8.502 1.00 0.00 H new ATOM 1538 N PRO A 94 3.254 11.118 -8.475 1.00 0.00 N ATOM 1539 CA PRO A 94 2.890 9.701 -8.443 1.00 0.00 C ATOM 1540 C PRO A 94 1.643 9.437 -9.277 1.00 0.00 C ATOM 1541 O PRO A 94 0.632 10.120 -9.114 1.00 0.00 O ATOM 1542 CB PRO A 94 2.605 9.426 -6.953 1.00 0.00 C ATOM 1543 CG PRO A 94 2.962 10.685 -6.227 1.00 0.00 C ATOM 1544 CD PRO A 94 2.863 11.789 -7.234 1.00 0.00 C ATOM 0 HA PRO A 94 3.672 9.062 -8.854 1.00 0.00 H new ATOM 0 HB2 PRO A 94 1.557 9.169 -6.797 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.197 8.585 -6.591 1.00 0.00 H new ATOM 0 HG2 PRO A 94 2.284 10.858 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.969 10.624 -5.814 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.854 12.196 -7.293 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.528 12.619 -6.994 1.00 0.00 H new ATOM 1552 N TRP A 95 1.707 8.457 -10.175 1.00 0.00 N ATOM 1553 CA TRP A 95 0.553 8.158 -11.013 1.00 0.00 C ATOM 1554 C TRP A 95 0.258 6.666 -11.100 1.00 0.00 C ATOM 1555 O TRP A 95 -0.805 6.210 -10.678 1.00 0.00 O ATOM 1556 CB TRP A 95 0.736 8.732 -12.424 1.00 0.00 C ATOM 1557 CG TRP A 95 2.033 8.369 -13.104 1.00 0.00 C ATOM 1558 CD1 TRP A 95 3.207 9.061 -13.043 1.00 0.00 C ATOM 1559 CD2 TRP A 95 2.280 7.245 -13.965 1.00 0.00 C ATOM 1560 NE1 TRP A 95 4.163 8.450 -13.824 1.00 0.00 N ATOM 1561 CE2 TRP A 95 3.617 7.337 -14.401 1.00 0.00 C ATOM 1562 CE3 TRP A 95 1.502 6.171 -14.413 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 4.186 6.403 -15.266 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 2.071 5.245 -15.267 1.00 0.00 C ATOM 1565 CH2 TRP A 95 3.399 5.368 -15.690 1.00 0.00 C ATOM 0 H TRP A 95 2.525 7.870 -10.338 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.302 8.635 -10.534 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.090 8.390 -13.047 1.00 0.00 H new ATOM 0 HB3 TRP A 95 0.665 9.818 -12.369 1.00 0.00 H new ATOM 0 HD1 TRP A 95 3.364 9.960 -12.465 1.00 0.00 H new ATOM 0 HE1 TRP A 95 5.122 8.775 -13.951 1.00 0.00 H new ATOM 0 HE3 TRP A 95 0.475 6.068 -14.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.212 6.494 -15.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 1.479 4.411 -15.614 1.00 0.00 H new ATOM 0 HH2 TRP A 95 3.810 4.631 -16.364 1.00 0.00 H new ATOM 1576 N GLY A 96 1.191 5.913 -11.664 1.00 0.00 N ATOM 1577 CA GLY A 96 1.002 4.481 -11.816 1.00 0.00 C ATOM 1578 C GLY A 96 -0.368 4.116 -12.361 1.00 0.00 C ATOM 1579 O GLY A 96 -0.609 4.197 -13.565 1.00 0.00 O ATOM 0 H GLY A 96 2.079 6.267 -12.021 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.769 4.088 -12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.143 3.997 -10.849 1.00 0.00 H new ATOM 1583 N LYS A 97 -1.267 3.709 -11.466 1.00 0.00 N ATOM 1584 CA LYS A 97 -2.623 3.322 -11.852 1.00 0.00 C ATOM 1585 C LYS A 97 -3.401 2.766 -10.659 1.00 0.00 C ATOM 1586 O LYS A 97 -4.217 1.857 -10.813 1.00 0.00 O ATOM 1587 CB LYS A 97 -2.584 2.279 -12.975 1.00 0.00 C ATOM 1588 CG LYS A 97 -3.488 2.617 -14.150 1.00 0.00 C ATOM 1589 CD LYS A 97 -4.178 1.377 -14.698 1.00 0.00 C ATOM 1590 CE LYS A 97 -5.527 1.715 -15.311 1.00 0.00 C ATOM 1591 NZ LYS A 97 -6.645 1.482 -14.355 1.00 0.00 N ATOM 0 H LYS A 97 -1.080 3.639 -10.466 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.133 4.217 -12.210 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.559 2.180 -13.332 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.875 1.310 -12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.238 3.343 -13.836 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.900 3.086 -14.939 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -3.543 0.908 -15.450 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.313 0.650 -13.897 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -5.531 2.758 -15.627 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.681 1.110 -16.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -7.548 1.724 -14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -6.657 0.481 -14.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.512 2.078 -13.513 1.00 0.00 H new ATOM 1605 N GLU A 98 -3.152 3.317 -9.473 1.00 0.00 N ATOM 1606 CA GLU A 98 -3.842 2.871 -8.265 1.00 0.00 C ATOM 1607 C GLU A 98 -5.352 3.037 -8.422 1.00 0.00 C ATOM 1608 O GLU A 98 -6.126 2.166 -8.026 1.00 0.00 O ATOM 1609 CB GLU A 98 -3.341 3.657 -7.050 1.00 0.00 C ATOM 1610 CG GLU A 98 -3.640 5.145 -7.121 1.00 0.00 C ATOM 1611 CD GLU A 98 -3.240 5.884 -5.857 1.00 0.00 C ATOM 1612 OE1 GLU A 98 -2.859 5.215 -4.873 1.00 0.00 O ATOM 1613 OE2 GLU A 98 -3.308 7.130 -5.852 1.00 0.00 O ATOM 0 H GLU A 98 -2.480 4.070 -9.323 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.626 1.814 -8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.797 3.246 -6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.264 3.516 -6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.113 5.577 -7.972 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.706 5.289 -7.299 1.00 0.00 H new ATOM 1620 N GLY A 99 -5.762 4.153 -9.024 1.00 0.00 N ATOM 1621 CA GLY A 99 -7.177 4.399 -9.244 1.00 0.00 C ATOM 1622 C GLY A 99 -7.774 5.415 -8.287 1.00 0.00 C ATOM 1623 O GLY A 99 -8.685 6.157 -8.655 1.00 0.00 O ATOM 0 H GLY A 99 -5.141 4.888 -9.362 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -7.322 4.747 -10.267 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.720 3.459 -9.147 1.00 0.00 H new ATOM 1627 N GLN A 100 -7.282 5.442 -7.054 1.00 0.00 N ATOM 1628 CA GLN A 100 -7.800 6.366 -6.049 1.00 0.00 C ATOM 1629 C GLN A 100 -6.863 7.546 -5.819 1.00 0.00 C ATOM 1630 O GLN A 100 -5.818 7.412 -5.185 1.00 0.00 O ATOM 1631 CB GLN A 100 -8.047 5.630 -4.730 1.00 0.00 C ATOM 1632 CG GLN A 100 -9.062 6.316 -3.831 1.00 0.00 C ATOM 1633 CD GLN A 100 -9.313 5.552 -2.545 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -9.623 4.362 -2.567 1.00 0.00 O ATOM 1635 NE2 GLN A 100 -9.178 6.238 -1.416 1.00 0.00 N ATOM 0 H GLN A 100 -6.528 4.838 -6.726 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.742 6.762 -6.427 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -8.391 4.619 -4.947 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.103 5.537 -4.193 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -8.709 7.319 -3.590 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.002 6.430 -4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -8.919 7.224 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.333 5.779 -0.519 1.00 0.00 H new ATOM 1644 N PRO A 101 -7.242 8.729 -6.324 1.00 0.00 N ATOM 1645 CA PRO A 101 -6.454 9.956 -6.163 1.00 0.00 C ATOM 1646 C PRO A 101 -5.999 10.164 -4.718 1.00 0.00 C ATOM 1647 O PRO A 101 -6.708 9.802 -3.779 1.00 0.00 O ATOM 1648 CB PRO A 101 -7.447 11.039 -6.569 1.00 0.00 C ATOM 1649 CG PRO A 101 -8.309 10.380 -7.581 1.00 0.00 C ATOM 1650 CD PRO A 101 -8.483 8.974 -7.090 1.00 0.00 C ATOM 0 HA PRO A 101 -5.535 9.946 -6.750 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -8.029 11.386 -5.715 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -6.939 11.910 -6.984 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -9.269 10.888 -7.672 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.844 10.399 -8.567 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -9.370 8.873 -6.464 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -8.593 8.270 -7.915 1.00 0.00 H new ATOM 1658 N GLY A 102 -4.814 10.743 -4.545 1.00 0.00 N ATOM 1659 CA GLY A 102 -4.292 10.979 -3.207 1.00 0.00 C ATOM 1660 C GLY A 102 -3.717 12.373 -3.024 1.00 0.00 C ATOM 1661 O GLY A 102 -3.669 13.164 -3.967 1.00 0.00 O ATOM 0 H GLY A 102 -4.207 11.053 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.090 10.824 -2.481 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.518 10.243 -2.991 1.00 0.00 H new ATOM 1665 N GLU A 103 -3.273 12.666 -1.803 1.00 0.00 N ATOM 1666 CA GLU A 103 -2.688 13.966 -1.484 1.00 0.00 C ATOM 1667 C GLU A 103 -1.597 13.813 -0.426 1.00 0.00 C ATOM 1668 O GLU A 103 -1.716 12.990 0.481 1.00 0.00 O ATOM 1669 CB GLU A 103 -3.766 14.933 -0.983 1.00 0.00 C ATOM 1670 CG GLU A 103 -5.095 14.801 -1.710 1.00 0.00 C ATOM 1671 CD GLU A 103 -5.052 15.371 -3.115 1.00 0.00 C ATOM 1672 OE1 GLU A 103 -4.465 16.459 -3.297 1.00 0.00 O ATOM 1673 OE2 GLU A 103 -5.605 14.730 -4.033 1.00 0.00 O ATOM 0 H GLU A 103 -3.308 12.018 -1.016 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.246 14.373 -2.393 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.927 14.763 0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -3.403 15.955 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -5.376 13.749 -1.757 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -5.870 15.312 -1.138 1.00 0.00 H new ATOM 1680 N TRP A 104 -0.531 14.604 -0.545 1.00 0.00 N ATOM 1681 CA TRP A 104 0.577 14.535 0.413 1.00 0.00 C ATOM 1682 C TRP A 104 0.081 14.822 1.828 1.00 0.00 C ATOM 1683 O TRP A 104 -0.236 15.963 2.166 1.00 0.00 O ATOM 1684 CB TRP A 104 1.704 15.521 0.048 1.00 0.00 C ATOM 1685 CG TRP A 104 1.654 16.022 -1.366 1.00 0.00 C ATOM 1686 CD1 TRP A 104 1.916 15.307 -2.499 1.00 0.00 C ATOM 1687 CD2 TRP A 104 1.320 17.347 -1.793 1.00 0.00 C ATOM 1688 NE1 TRP A 104 1.767 16.109 -3.606 1.00 0.00 N ATOM 1689 CE2 TRP A 104 1.401 17.365 -3.198 1.00 0.00 C ATOM 1690 CE3 TRP A 104 0.960 18.521 -1.124 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 1.135 18.510 -3.945 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 0.697 19.657 -1.867 1.00 0.00 C ATOM 1693 CH2 TRP A 104 0.785 19.644 -3.264 1.00 0.00 C ATOM 0 H TRP A 104 -0.409 15.294 -1.286 1.00 0.00 H new ATOM 0 HA TRP A 104 0.981 13.523 0.371 1.00 0.00 H new ATOM 0 HB2 TRP A 104 1.658 16.374 0.725 1.00 0.00 H new ATOM 0 HB3 TRP A 104 2.665 15.034 0.215 1.00 0.00 H new ATOM 0 HD1 TRP A 104 2.199 14.265 -2.522 1.00 0.00 H new ATOM 0 HE1 TRP A 104 1.906 15.817 -4.573 1.00 0.00 H new ATOM 0 HE3 TRP A 104 0.889 18.540 -0.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.203 18.503 -5.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 0.419 20.570 -1.361 1.00 0.00 H new ATOM 0 HH2 TRP A 104 0.572 20.548 -3.816 1.00 0.00 H new ATOM 1704 N MET A 105 0.013 13.779 2.651 1.00 0.00 N ATOM 1705 CA MET A 105 -0.447 13.915 4.030 1.00 0.00 C ATOM 1706 C MET A 105 0.631 13.488 5.021 1.00 0.00 C ATOM 1707 O MET A 105 1.594 12.816 4.656 1.00 0.00 O ATOM 1708 CB MET A 105 -1.718 13.097 4.260 1.00 0.00 C ATOM 1709 CG MET A 105 -2.695 13.148 3.097 1.00 0.00 C ATOM 1710 SD MET A 105 -4.415 13.043 3.630 1.00 0.00 S ATOM 1711 CE MET A 105 -5.267 13.444 2.105 1.00 0.00 C ATOM 0 H MET A 105 0.271 12.828 2.386 1.00 0.00 H new ATOM 0 HA MET A 105 -0.668 14.969 4.198 1.00 0.00 H new ATOM 0 HB2 MET A 105 -1.443 12.059 4.447 1.00 0.00 H new ATOM 0 HB3 MET A 105 -2.217 13.461 5.158 1.00 0.00 H new ATOM 0 HG2 MET A 105 -2.546 14.075 2.543 1.00 0.00 H new ATOM 0 HG3 MET A 105 -2.480 12.329 2.411 1.00 0.00 H new ATOM 0 HE1 MET A 105 -6.339 13.300 2.238 1.00 0.00 H new ATOM 0 HE2 MET A 105 -5.071 14.483 1.841 1.00 0.00 H new ATOM 0 HE3 MET A 105 -4.910 12.793 1.307 1.00 0.00 H new ATOM 1721 N SER A 106 0.458 13.880 6.277 1.00 0.00 N ATOM 1722 CA SER A 106 1.410 13.536 7.327 1.00 0.00 C ATOM 1723 C SER A 106 1.072 12.184 7.949 1.00 0.00 C ATOM 1724 O SER A 106 -0.020 11.990 8.485 1.00 0.00 O ATOM 1725 CB SER A 106 1.424 14.620 8.407 1.00 0.00 C ATOM 1726 OG SER A 106 0.199 15.333 8.429 1.00 0.00 O ATOM 0 H SER A 106 -0.335 14.438 6.594 1.00 0.00 H new ATOM 0 HA SER A 106 2.400 13.469 6.877 1.00 0.00 H new ATOM 0 HB2 SER A 106 1.601 14.165 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.247 15.310 8.223 1.00 0.00 H new ATOM 0 HG SER A 106 0.232 16.019 9.128 1.00 0.00 H new ATOM 1732 N LEU A 107 2.017 11.252 7.873 1.00 0.00 N ATOM 1733 CA LEU A 107 1.828 9.913 8.426 1.00 0.00 C ATOM 1734 C LEU A 107 1.959 9.914 9.949 1.00 0.00 C ATOM 1735 O LEU A 107 1.513 8.982 10.619 1.00 0.00 O ATOM 1736 CB LEU A 107 2.841 8.941 7.819 1.00 0.00 C ATOM 1737 CG LEU A 107 2.299 7.540 7.528 1.00 0.00 C ATOM 1738 CD1 LEU A 107 1.991 6.806 8.824 1.00 0.00 C ATOM 1739 CD2 LEU A 107 1.059 7.619 6.650 1.00 0.00 C ATOM 0 H LEU A 107 2.925 11.399 7.432 1.00 0.00 H new ATOM 0 HA LEU A 107 0.819 9.589 8.172 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.220 9.368 6.890 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.689 8.852 8.498 1.00 0.00 H new ATOM 0 HG LEU A 107 3.065 6.980 6.991 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.607 5.812 8.597 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.901 6.716 9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.244 7.363 9.389 1.00 0.00 H new ATOM 0 HD21 LEU A 107 0.688 6.613 6.454 1.00 0.00 H new ATOM 0 HD22 LEU A 107 0.288 8.197 7.160 1.00 0.00 H new ATOM 0 HD23 LEU A 107 1.311 8.103 5.707 1.00 0.00 H new ATOM 1751 N VAL A 108 2.575 10.962 10.491 1.00 0.00 N ATOM 1752 CA VAL A 108 2.771 11.083 11.933 1.00 0.00 C ATOM 1753 C VAL A 108 1.466 10.876 12.704 1.00 0.00 C ATOM 1754 O VAL A 108 1.483 10.574 13.898 1.00 0.00 O ATOM 1755 CB VAL A 108 3.362 12.459 12.303 1.00 0.00 C ATOM 1756 CG1 VAL A 108 2.416 13.579 11.895 1.00 0.00 C ATOM 1757 CG2 VAL A 108 3.675 12.527 13.791 1.00 0.00 C ATOM 0 H VAL A 108 2.948 11.742 9.951 1.00 0.00 H new ATOM 0 HA VAL A 108 3.474 10.299 12.216 1.00 0.00 H new ATOM 0 HB VAL A 108 4.295 12.589 11.755 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.853 14.541 12.165 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.254 13.544 10.818 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.463 13.456 12.409 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.091 13.506 14.031 1.00 0.00 H new ATOM 0 HG22 VAL A 108 2.760 12.371 14.363 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.399 11.753 14.046 1.00 0.00 H new ATOM 1767 N GLY A 109 0.338 11.037 12.019 1.00 0.00 N ATOM 1768 CA GLY A 109 -0.949 10.860 12.661 1.00 0.00 C ATOM 1769 C GLY A 109 -1.995 10.329 11.703 1.00 0.00 C ATOM 1770 O GLY A 109 -3.028 10.960 11.481 1.00 0.00 O ATOM 0 H GLY A 109 0.294 11.287 11.031 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -0.844 10.172 13.500 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.284 11.813 13.071 1.00 0.00 H new ATOM 1774 N LEU A 110 -1.718 9.163 11.135 1.00 0.00 N ATOM 1775 CA LEU A 110 -2.632 8.530 10.188 1.00 0.00 C ATOM 1776 C LEU A 110 -3.963 8.210 10.858 1.00 0.00 C ATOM 1777 O LEU A 110 -4.023 7.983 12.065 1.00 0.00 O ATOM 1778 CB LEU A 110 -2.014 7.251 9.627 1.00 0.00 C ATOM 1779 CG LEU A 110 -2.895 6.492 8.635 1.00 0.00 C ATOM 1780 CD1 LEU A 110 -2.041 5.826 7.570 1.00 0.00 C ATOM 1781 CD2 LEU A 110 -3.750 5.462 9.362 1.00 0.00 C ATOM 0 H LEU A 110 -0.865 8.633 11.313 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.811 9.227 9.369 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -1.074 7.504 9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.772 6.587 10.457 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.560 7.204 8.146 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.683 5.290 6.871 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.473 6.585 7.032 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.353 5.125 8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.371 4.931 8.641 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.104 4.751 9.878 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.388 5.966 10.088 1.00 0.00 H new ATOM 1793 N ASN A 111 -5.034 8.208 10.067 1.00 0.00 N ATOM 1794 CA ASN A 111 -6.366 7.934 10.592 1.00 0.00 C ATOM 1795 C ASN A 111 -6.923 6.620 10.061 1.00 0.00 C ATOM 1796 O ASN A 111 -7.197 6.483 8.869 1.00 0.00 O ATOM 1797 CB ASN A 111 -7.316 9.083 10.248 1.00 0.00 C ATOM 1798 CG ASN A 111 -7.836 9.793 11.482 1.00 0.00 C ATOM 1799 OD1 ASN A 111 -8.142 9.160 12.493 1.00 0.00 O ATOM 1800 ND2 ASN A 111 -7.940 11.114 11.406 1.00 0.00 N ATOM 0 H ASN A 111 -5.004 8.392 9.064 1.00 0.00 H new ATOM 0 HA ASN A 111 -6.281 7.846 11.675 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -6.798 9.800 9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -8.157 8.695 9.674 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -8.285 11.645 12.206 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -7.675 11.598 10.548 1.00 0.00 H new ATOM 1807 N ALA A 112 -7.105 5.663 10.965 1.00 0.00 N ATOM 1808 CA ALA A 112 -7.651 4.363 10.602 1.00 0.00 C ATOM 1809 C ALA A 112 -9.145 4.474 10.284 1.00 0.00 C ATOM 1810 O ALA A 112 -9.737 3.566 9.704 1.00 0.00 O ATOM 1811 CB ALA A 112 -7.422 3.357 11.720 1.00 0.00 C ATOM 0 H ALA A 112 -6.882 5.765 11.955 1.00 0.00 H new ATOM 0 HA ALA A 112 -7.133 4.013 9.709 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.837 2.391 11.431 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.352 3.253 11.902 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.913 3.705 12.629 1.00 0.00 H new ATOM 1817 N ASP A 113 -9.753 5.591 10.681 1.00 0.00 N ATOM 1818 CA ASP A 113 -11.175 5.813 10.442 1.00 0.00 C ATOM 1819 C ASP A 113 -11.431 6.170 8.980 1.00 0.00 C ATOM 1820 O ASP A 113 -12.306 5.590 8.336 1.00 0.00 O ATOM 1821 CB ASP A 113 -11.732 6.920 11.355 1.00 0.00 C ATOM 1822 CG ASP A 113 -10.663 7.659 12.142 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -9.921 6.999 12.900 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -10.571 8.896 12.000 1.00 0.00 O ATOM 0 H ASP A 113 -9.283 6.354 11.168 1.00 0.00 H new ATOM 0 HA ASP A 113 -11.692 4.882 10.675 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.283 7.637 10.747 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -12.444 6.479 12.052 1.00 0.00 H new ATOM 1829 N ASP A 114 -10.663 7.123 8.459 1.00 0.00 N ATOM 1830 CA ASP A 114 -10.816 7.545 7.070 1.00 0.00 C ATOM 1831 C ASP A 114 -10.307 6.475 6.109 1.00 0.00 C ATOM 1832 O ASP A 114 -10.572 6.533 4.910 1.00 0.00 O ATOM 1833 CB ASP A 114 -10.078 8.859 6.824 1.00 0.00 C ATOM 1834 CG ASP A 114 -11.023 10.008 6.529 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -11.929 9.831 5.688 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -10.856 11.085 7.139 1.00 0.00 O ATOM 0 H ASP A 114 -9.933 7.615 8.974 1.00 0.00 H new ATOM 0 HA ASP A 114 -11.880 7.695 6.885 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.476 9.103 7.699 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -9.390 8.735 5.988 1.00 0.00 H new ATOM 1841 N PHE A 115 -9.572 5.499 6.638 1.00 0.00 N ATOM 1842 CA PHE A 115 -9.033 4.425 5.815 1.00 0.00 C ATOM 1843 C PHE A 115 -9.798 3.124 6.061 1.00 0.00 C ATOM 1844 O PHE A 115 -10.344 2.909 7.144 1.00 0.00 O ATOM 1845 CB PHE A 115 -7.517 4.294 6.059 1.00 0.00 C ATOM 1846 CG PHE A 115 -7.038 3.018 6.697 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -7.588 2.566 7.881 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -6.007 2.289 6.121 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -7.126 1.412 8.478 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -5.539 1.138 6.716 1.00 0.00 C ATOM 1851 CZ PHE A 115 -6.099 0.698 7.895 1.00 0.00 C ATOM 0 H PHE A 115 -9.338 5.432 7.629 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.168 4.662 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -7.008 4.406 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.201 5.127 6.687 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -8.389 3.123 8.344 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.566 2.628 5.195 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -7.568 1.067 9.401 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.734 0.582 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.735 -0.205 8.363 1.00 0.00 H new ATOM 1861 N PRO A 116 -9.873 2.250 5.043 1.00 0.00 N ATOM 1862 CA PRO A 116 -10.602 0.980 5.131 1.00 0.00 C ATOM 1863 C PRO A 116 -10.141 0.098 6.286 1.00 0.00 C ATOM 1864 O PRO A 116 -8.947 -0.156 6.445 1.00 0.00 O ATOM 1865 CB PRO A 116 -10.306 0.295 3.788 1.00 0.00 C ATOM 1866 CG PRO A 116 -9.137 1.029 3.225 1.00 0.00 C ATOM 1867 CD PRO A 116 -9.272 2.437 3.717 1.00 0.00 C ATOM 0 HA PRO A 116 -11.662 1.150 5.320 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -10.078 -0.762 3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -11.165 0.351 3.120 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -8.198 0.586 3.558 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -9.139 0.992 2.136 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -8.307 2.941 3.775 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -9.906 3.037 3.064 1.00 0.00 H new ATOM 1875 N PRO A 117 -11.090 -0.400 7.102 1.00 0.00 N ATOM 1876 CA PRO A 117 -10.771 -1.276 8.231 1.00 0.00 C ATOM 1877 C PRO A 117 -10.193 -2.605 7.759 1.00 0.00 C ATOM 1878 O PRO A 117 -9.574 -3.337 8.531 1.00 0.00 O ATOM 1879 CB PRO A 117 -12.122 -1.492 8.919 1.00 0.00 C ATOM 1880 CG PRO A 117 -13.135 -1.229 7.861 1.00 0.00 C ATOM 1881 CD PRO A 117 -12.541 -0.169 6.977 1.00 0.00 C ATOM 0 HA PRO A 117 -10.019 -0.843 8.890 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.210 -2.507 9.307 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -12.248 -0.815 9.764 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -13.352 -2.134 7.294 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.076 -0.893 8.296 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -12.877 -0.270 5.945 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -12.819 0.832 7.306 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.394 -2.909 6.477 1.00 0.00 N ATOM 1890 CA ALA A 118 -9.889 -4.143 5.895 1.00 0.00 C ATOM 1891 C ALA A 118 -8.370 -4.184 5.943 1.00 0.00 C ATOM 1892 O ALA A 118 -7.764 -5.253 5.879 1.00 0.00 O ATOM 1893 CB ALA A 118 -10.381 -4.295 4.463 1.00 0.00 C ATOM 0 H ALA A 118 -10.904 -2.314 5.824 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.269 -4.977 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -9.994 -5.223 4.042 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -11.471 -4.318 4.453 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -10.031 -3.453 3.867 1.00 0.00 H new ATOM 1899 N ASN A 119 -7.758 -3.013 6.063 1.00 0.00 N ATOM 1900 CA ASN A 119 -6.312 -2.906 6.128 1.00 0.00 C ATOM 1901 C ASN A 119 -5.872 -2.452 7.521 1.00 0.00 C ATOM 1902 O ASN A 119 -4.717 -2.082 7.730 1.00 0.00 O ATOM 1903 CB ASN A 119 -5.833 -1.912 5.071 1.00 0.00 C ATOM 1904 CG ASN A 119 -5.037 -2.575 3.966 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -5.457 -2.594 2.808 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -3.882 -3.124 4.317 1.00 0.00 N ATOM 0 H ASN A 119 -8.247 -2.120 6.117 1.00 0.00 H new ATOM 0 HA ASN A 119 -5.870 -3.883 5.933 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -6.695 -1.404 4.638 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -5.219 -1.148 5.548 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -3.303 -3.586 3.616 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -3.573 -3.085 5.288 1.00 0.00 H new ATOM 1913 N GLU A 120 -6.812 -2.475 8.468 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.551 -2.065 9.833 1.00 0.00 C ATOM 1915 C GLU A 120 -5.559 -2.986 10.551 1.00 0.00 C ATOM 1916 O GLU A 120 -4.825 -2.533 11.412 1.00 0.00 O ATOM 1917 CB GLU A 120 -7.881 -1.971 10.597 1.00 0.00 C ATOM 1918 CG GLU A 120 -8.236 -3.191 11.442 1.00 0.00 C ATOM 1919 CD GLU A 120 -8.025 -2.953 12.925 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -8.279 -1.822 13.387 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -7.604 -3.899 13.623 1.00 0.00 O ATOM 0 H GLU A 120 -7.771 -2.779 8.302 1.00 0.00 H new ATOM 0 HA GLU A 120 -6.076 -1.084 9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.846 -1.097 11.247 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -8.683 -1.802 9.878 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -9.277 -3.461 11.265 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -7.629 -4.038 11.124 1.00 0.00 H new ATOM 1928 N PRO A 121 -5.520 -4.290 10.234 1.00 0.00 N ATOM 1929 CA PRO A 121 -4.603 -5.225 10.900 1.00 0.00 C ATOM 1930 C PRO A 121 -3.174 -4.696 11.057 1.00 0.00 C ATOM 1931 O PRO A 121 -2.565 -4.855 12.116 1.00 0.00 O ATOM 1932 CB PRO A 121 -4.617 -6.422 9.961 1.00 0.00 C ATOM 1933 CG PRO A 121 -6.002 -6.427 9.418 1.00 0.00 C ATOM 1934 CD PRO A 121 -6.362 -4.979 9.231 1.00 0.00 C ATOM 0 HA PRO A 121 -4.919 -5.431 11.923 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -3.876 -6.318 9.168 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -4.390 -7.348 10.489 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -6.052 -6.969 8.474 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -6.692 -6.918 10.105 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.144 -4.637 8.219 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.423 -4.802 9.406 1.00 0.00 H new ATOM 1942 N VAL A 122 -2.638 -4.082 10.007 1.00 0.00 N ATOM 1943 CA VAL A 122 -1.274 -3.552 10.048 1.00 0.00 C ATOM 1944 C VAL A 122 -1.218 -2.214 10.779 1.00 0.00 C ATOM 1945 O VAL A 122 -0.446 -2.037 11.721 1.00 0.00 O ATOM 1946 CB VAL A 122 -0.695 -3.356 8.627 1.00 0.00 C ATOM 1947 CG1 VAL A 122 0.788 -3.690 8.603 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -1.450 -4.187 7.595 1.00 0.00 C ATOM 0 H VAL A 122 -3.122 -3.938 9.121 1.00 0.00 H new ATOM 0 HA VAL A 122 -0.676 -4.289 10.585 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.820 -2.306 8.361 1.00 0.00 H new ATOM 0 HG11 VAL A 122 1.177 -3.546 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.320 -3.036 9.294 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.932 -4.728 8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.016 -4.024 6.609 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -1.376 -5.243 7.854 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -2.498 -3.888 7.584 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.041 -1.276 10.327 1.00 0.00 N ATOM 1959 CA ILE A 123 -2.120 0.062 10.899 1.00 0.00 C ATOM 1960 C ILE A 123 -2.651 0.034 12.327 1.00 0.00 C ATOM 1961 O ILE A 123 -2.352 0.905 13.128 1.00 0.00 O ATOM 1962 CB ILE A 123 -3.023 0.963 10.031 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -2.370 1.207 8.665 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -3.311 2.277 10.736 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -1.921 2.637 8.451 1.00 0.00 C ATOM 0 H ILE A 123 -2.679 -1.424 9.545 1.00 0.00 H new ATOM 0 HA ILE A 123 -1.108 0.468 10.920 1.00 0.00 H new ATOM 0 HB ILE A 123 -3.974 0.453 9.874 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -1.510 0.546 8.560 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -3.077 0.936 7.881 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -3.949 2.896 10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -3.817 2.080 11.681 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -2.374 2.800 10.928 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -1.469 2.733 7.464 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -2.781 3.303 8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -1.189 2.906 9.213 1.00 0.00 H new ATOM 1977 N ALA A 124 -3.423 -0.990 12.624 1.00 0.00 N ATOM 1978 CA ALA A 124 -3.994 -1.155 13.953 1.00 0.00 C ATOM 1979 C ALA A 124 -2.880 -1.114 14.990 1.00 0.00 C ATOM 1980 O ALA A 124 -2.992 -0.456 16.024 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.767 -2.462 14.054 1.00 0.00 C ATOM 0 H ALA A 124 -3.673 -1.726 11.963 1.00 0.00 H new ATOM 0 HA ALA A 124 -4.693 -0.340 14.141 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.184 -2.562 15.056 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -5.576 -2.464 13.323 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.096 -3.298 13.855 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.818 -1.859 14.709 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.690 -1.950 15.623 1.00 0.00 C ATOM 1989 C LYS A 125 -0.140 -0.569 15.963 1.00 0.00 C ATOM 1990 O LYS A 125 -0.007 -0.219 17.135 1.00 0.00 O ATOM 1991 CB LYS A 125 0.414 -2.817 15.015 1.00 0.00 C ATOM 1992 CG LYS A 125 1.621 -2.991 15.923 1.00 0.00 C ATOM 1993 CD LYS A 125 1.509 -4.250 16.767 1.00 0.00 C ATOM 1994 CE LYS A 125 2.332 -5.387 16.184 1.00 0.00 C ATOM 1995 NZ LYS A 125 2.270 -6.609 17.032 1.00 0.00 N ATOM 0 H LYS A 125 -1.716 -2.408 13.856 1.00 0.00 H new ATOM 0 HA LYS A 125 -1.043 -2.411 16.545 1.00 0.00 H new ATOM 0 HB2 LYS A 125 0.004 -3.799 14.777 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.738 -2.371 14.075 1.00 0.00 H new ATOM 0 HG2 LYS A 125 2.528 -3.036 15.320 1.00 0.00 H new ATOM 0 HG3 LYS A 125 1.715 -2.122 16.575 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.845 -4.040 17.782 1.00 0.00 H new ATOM 0 HD3 LYS A 125 0.464 -4.553 16.834 1.00 0.00 H new ATOM 0 HE2 LYS A 125 1.970 -5.621 15.183 1.00 0.00 H new ATOM 0 HE3 LYS A 125 3.369 -5.069 16.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 2.844 -7.361 16.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 2.639 -6.393 17.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.283 -6.928 17.109 1.00 0.00 H new ATOM 2009 N LEU A 126 0.189 0.207 14.941 1.00 0.00 N ATOM 2010 CA LEU A 126 0.740 1.550 15.142 1.00 0.00 C ATOM 2011 C LEU A 126 -0.352 2.564 15.474 1.00 0.00 C ATOM 2012 O LEU A 126 -0.202 3.380 16.380 1.00 0.00 O ATOM 2013 CB LEU A 126 1.506 1.999 13.895 1.00 0.00 C ATOM 2014 CG LEU A 126 3.030 1.947 14.018 1.00 0.00 C ATOM 2015 CD1 LEU A 126 3.502 2.820 15.172 1.00 0.00 C ATOM 2016 CD2 LEU A 126 3.500 0.513 14.205 1.00 0.00 C ATOM 0 H LEU A 126 0.086 -0.065 13.963 1.00 0.00 H new ATOM 0 HA LEU A 126 1.423 1.503 15.990 1.00 0.00 H new ATOM 0 HB2 LEU A 126 1.203 1.373 13.056 1.00 0.00 H new ATOM 0 HB3 LEU A 126 1.211 3.020 13.654 1.00 0.00 H new ATOM 0 HG LEU A 126 3.464 2.333 13.096 1.00 0.00 H new ATOM 0 HD11 LEU A 126 4.588 2.771 15.245 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.196 3.851 14.997 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.060 2.464 16.102 1.00 0.00 H new ATOM 0 HD21 LEU A 126 4.586 0.494 14.291 1.00 0.00 H new ATOM 0 HD22 LEU A 126 3.057 0.100 15.112 1.00 0.00 H new ATOM 0 HD23 LEU A 126 3.194 -0.085 13.347 1.00 0.00 H new ATOM 2028 N LYS A 127 -1.426 2.530 14.697 1.00 0.00 N ATOM 2029 CA LYS A 127 -2.539 3.464 14.856 1.00 0.00 C ATOM 2030 C LYS A 127 -3.000 3.521 16.298 1.00 0.00 C ATOM 2031 O LYS A 127 -3.308 4.592 16.822 1.00 0.00 O ATOM 2032 CB LYS A 127 -3.704 3.047 13.973 1.00 0.00 C ATOM 2033 CG LYS A 127 -4.997 3.803 14.247 1.00 0.00 C ATOM 2034 CD LYS A 127 -6.126 2.861 14.632 1.00 0.00 C ATOM 2035 CE LYS A 127 -7.312 3.618 15.206 1.00 0.00 C ATOM 2036 NZ LYS A 127 -8.359 2.698 15.730 1.00 0.00 N ATOM 0 H LYS A 127 -1.553 1.858 13.940 1.00 0.00 H new ATOM 0 HA LYS A 127 -2.190 4.453 14.560 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -3.425 3.193 12.930 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -3.884 1.981 14.108 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -4.835 4.524 15.048 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -5.282 4.370 13.361 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -6.444 2.295 13.756 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -5.765 2.139 15.364 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -6.971 4.273 16.007 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -7.743 4.256 14.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -9.150 3.254 16.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.704 2.090 14.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.955 2.106 16.484 1.00 0.00 H new ATOM 2050 N ARG A 128 -3.028 2.368 16.942 1.00 0.00 N ATOM 2051 CA ARG A 128 -3.432 2.303 18.334 1.00 0.00 C ATOM 2052 C ARG A 128 -2.446 3.101 19.185 1.00 0.00 C ATOM 2053 O ARG A 128 -2.703 3.385 20.354 1.00 0.00 O ATOM 2054 CB ARG A 128 -3.490 0.845 18.796 1.00 0.00 C ATOM 2055 CG ARG A 128 -3.581 0.672 20.306 1.00 0.00 C ATOM 2056 CD ARG A 128 -3.485 -0.790 20.708 1.00 0.00 C ATOM 2057 NE ARG A 128 -2.105 -1.199 20.958 1.00 0.00 N ATOM 2058 CZ ARG A 128 -1.765 -2.275 21.663 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -2.701 -3.056 22.190 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -0.486 -2.573 21.844 1.00 0.00 N ATOM 0 H ARG A 128 -2.778 1.471 16.527 1.00 0.00 H new ATOM 0 HA ARG A 128 -4.426 2.735 18.447 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -4.352 0.363 18.334 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -2.602 0.326 18.435 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -2.781 1.235 20.786 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -4.523 1.087 20.664 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -4.081 -0.959 21.604 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -3.910 -1.411 19.920 1.00 0.00 H new ATOM 0 HE ARG A 128 -1.357 -0.625 20.569 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -3.687 -2.832 22.055 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.434 -3.879 22.729 1.00 0.00 H new ATOM 0 HH21 ARG A 128 0.238 -1.977 21.443 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -0.226 -3.398 22.385 1.00 0.00 H new ATOM 2074 N LEU A 129 -1.321 3.478 18.569 1.00 0.00 N ATOM 2075 CA LEU A 129 -0.289 4.264 19.246 1.00 0.00 C ATOM 2076 C LEU A 129 -0.028 3.744 20.658 1.00 0.00 C ATOM 2077 O LEU A 129 -0.419 2.628 21.002 1.00 0.00 O ATOM 2078 CB LEU A 129 -0.701 5.742 19.293 1.00 0.00 C ATOM 2079 CG LEU A 129 0.021 6.656 18.295 1.00 0.00 C ATOM 2080 CD1 LEU A 129 0.069 6.019 16.915 1.00 0.00 C ATOM 2081 CD2 LEU A 129 -0.660 8.017 18.225 1.00 0.00 C ATOM 0 H LEU A 129 -1.103 3.250 17.599 1.00 0.00 H new ATOM 0 HA LEU A 129 0.636 4.166 18.678 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -1.774 5.809 19.111 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -0.524 6.120 20.300 1.00 0.00 H new ATOM 0 HG LEU A 129 1.044 6.796 18.645 1.00 0.00 H new ATOM 0 HD11 LEU A 129 0.586 6.686 16.224 1.00 0.00 H new ATOM 0 HD12 LEU A 129 0.602 5.070 16.971 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -0.946 5.844 16.559 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -0.133 8.651 17.512 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -1.694 7.890 17.904 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -0.641 8.485 19.209 1.00 0.00 H new