USER MOD reduce.3.24.130724 H: found=0, std=0, add=1013, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1011 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 180:sc= -1.73! USER MOD Set 1.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -150:sc= -0.413 (180deg=-1.52!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 13 ASN : amide:sc= -6.25! C(o=-6.2!,f=-6.8!) USER MOD Single : A 15 ASN : amide:sc= -0.319 K(o=-0.32,f=-2.3!) USER MOD Single : A 16 ASN : amide:sc= -4.95 K(o=-4.9,f=-6.6!) USER MOD Single : A 28 HIS : no HE2:sc= -0.238 X(o=-0.24,f=-0.42) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.3 K(o=0.3,f=-1.8!) 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 180:sc= 0 USER MOD Single : A 48 GLN :FLIP amide:sc= -0.182 F(o=-0.74,f=-0.18) USER MOD Single : A 55 GLN : amide:sc= -0.228 K(o=-0.23,f=-6.1!) USER MOD Single : A 61 THR OG1 : rot 14:sc= 1.16 USER MOD Single : A 63 GLN :FLIP amide:sc= -5.7! C(o=-8.1!,f=-5.7!) USER MOD Single : A 64 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -1.49 K(o=-1.5,f=-4!) USER MOD Single : A 81 THR OG1 : rot -160:sc= -0.826 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -1.83 F(o=-3.3!,f=-1.8) USER MOD Single : A 105 MET CE :methyl 156:sc= -11.8! (180deg=-14.6!) USER MOD Single : A 106 SER OG : rot 180:sc= 0.135 USER MOD Single : A 111 ASN :FLIP amide:sc= 0.678 F(o=0,f=0.68) USER MOD Single : A 119 ASN : amide:sc= -9.52! C(o=-9.5!,f=-13!) USER MOD Single : A 125 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.875) USER MOD Single : A 127 LYS NZ :NH3+ -152:sc=-0.00352 (180deg=-0.0537) USER MOD ----------------------------------------------------------------- ATOM 42 N LYS A 3 14.748 10.979 4.229 1.00 0.00 N ATOM 43 CA LYS A 3 13.692 10.504 3.306 1.00 0.00 C ATOM 44 C LYS A 3 13.468 9.011 3.535 1.00 0.00 C ATOM 45 O LYS A 3 14.375 8.285 3.891 1.00 0.00 O ATOM 46 CB LYS A 3 14.119 10.727 1.860 1.00 0.00 C ATOM 47 CG LYS A 3 13.112 10.043 0.940 1.00 0.00 C ATOM 48 CD LYS A 3 13.633 8.656 0.558 1.00 0.00 C ATOM 49 CE LYS A 3 14.829 8.797 -0.388 1.00 0.00 C ATOM 50 NZ LYS A 3 14.527 9.823 -1.426 1.00 0.00 N ATOM 0 HA LYS A 3 12.773 11.058 3.496 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.167 11.794 1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.117 10.322 1.694 1.00 0.00 H new ATOM 0 HG2 LYS A 3 12.147 9.956 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 3 12.955 10.644 0.044 1.00 0.00 H new ATOM 0 HD2 LYS A 3 13.928 8.108 1.453 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.843 8.080 0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 3 15.718 9.084 0.174 1.00 0.00 H new ATOM 0 HE3 LYS A 3 15.046 7.839 -0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 15.034 9.589 -2.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.504 9.839 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 14.833 10.758 -1.089 1.00 0.00 H new ATOM 64 N LEU A 4 12.277 8.540 3.313 1.00 0.00 N ATOM 65 CA LEU A 4 12.011 7.087 3.496 1.00 0.00 C ATOM 66 C LEU A 4 10.929 6.654 2.509 1.00 0.00 C ATOM 67 O LEU A 4 9.923 7.302 2.351 1.00 0.00 O ATOM 68 CB LEU A 4 11.610 6.792 4.964 1.00 0.00 C ATOM 69 CG LEU A 4 10.096 6.876 5.210 1.00 0.00 C ATOM 70 CD1 LEU A 4 9.526 8.178 4.673 1.00 0.00 C ATOM 71 CD2 LEU A 4 9.382 5.679 4.572 1.00 0.00 C ATOM 0 H LEU A 4 11.476 9.096 3.013 1.00 0.00 H new ATOM 0 HA LEU A 4 12.914 6.512 3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 4 11.960 5.796 5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 4 12.117 7.499 5.621 1.00 0.00 H new ATOM 0 HG LEU A 4 9.929 6.851 6.287 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.453 8.210 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 4 10.007 9.019 5.172 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.709 8.240 3.600 1.00 0.00 H new ATOM 0 HD21 LEU A 4 8.310 5.754 4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 4 9.567 5.676 3.498 1.00 0.00 H new ATOM 0 HD23 LEU A 4 9.761 4.755 5.008 1.00 0.00 H new ATOM 83 N GLN A 5 11.130 5.572 1.816 1.00 0.00 N ATOM 84 CA GLN A 5 10.094 5.144 0.844 1.00 0.00 C ATOM 85 C GLN A 5 9.247 4.050 1.471 1.00 0.00 C ATOM 86 O GLN A 5 9.667 3.360 2.377 1.00 0.00 O ATOM 87 CB GLN A 5 10.740 4.625 -0.438 1.00 0.00 C ATOM 88 CG GLN A 5 11.477 5.774 -1.126 1.00 0.00 C ATOM 89 CD GLN A 5 12.965 5.431 -1.244 1.00 0.00 C ATOM 90 OE1 GLN A 5 13.595 5.065 -0.272 1.00 0.00 O ATOM 91 NE2 GLN A 5 13.553 5.529 -2.405 1.00 0.00 N ATOM 0 H GLN A 5 11.954 4.974 1.879 1.00 0.00 H new ATOM 0 HA GLN A 5 9.469 6.000 0.591 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.434 3.816 -0.209 1.00 0.00 H new ATOM 0 HB3 GLN A 5 9.980 4.214 -1.103 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.054 5.950 -2.115 1.00 0.00 H new ATOM 0 HG3 GLN A 5 11.349 6.694 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 5 13.023 5.836 -3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 5 14.542 5.298 -2.497 1.00 0.00 H new ATOM 100 N ILE A 6 8.052 3.899 1.000 1.00 0.00 N ATOM 101 CA ILE A 6 7.160 2.866 1.566 1.00 0.00 C ATOM 102 C ILE A 6 6.833 1.841 0.483 1.00 0.00 C ATOM 103 O ILE A 6 6.229 2.155 -0.523 1.00 0.00 O ATOM 104 CB ILE A 6 5.888 3.556 2.060 1.00 0.00 C ATOM 105 CG1 ILE A 6 6.165 4.159 3.449 1.00 0.00 C ATOM 106 CG2 ILE A 6 4.730 2.557 2.121 1.00 0.00 C ATOM 107 CD1 ILE A 6 5.457 3.357 4.555 1.00 0.00 C ATOM 0 H ILE A 6 7.651 4.451 0.241 1.00 0.00 H new ATOM 0 HA ILE A 6 7.638 2.348 2.398 1.00 0.00 H new ATOM 0 HB ILE A 6 5.603 4.350 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 6 7.239 4.171 3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.826 5.195 3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.831 3.063 2.474 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.549 2.148 1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.984 1.747 2.805 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.671 3.807 5.524 1.00 0.00 H new ATOM 0 HD12 ILE A 6 4.381 3.367 4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.816 2.328 4.545 1.00 0.00 H new ATOM 119 N ALA A 7 7.228 0.616 0.683 1.00 0.00 N ATOM 120 CA ALA A 7 6.938 -0.433 -0.330 1.00 0.00 C ATOM 121 C ALA A 7 5.534 -0.977 -0.085 1.00 0.00 C ATOM 122 O ALA A 7 5.355 -2.122 0.284 1.00 0.00 O ATOM 123 CB ALA A 7 7.957 -1.564 -0.196 1.00 0.00 C ATOM 0 H ALA A 7 7.740 0.296 1.505 1.00 0.00 H new ATOM 0 HA ALA A 7 7.001 -0.011 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 7 7.746 -2.334 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 7 8.961 -1.170 -0.357 1.00 0.00 H new ATOM 0 HB3 ALA A 7 7.892 -1.995 0.803 1.00 0.00 H new ATOM 129 N VAL A 8 4.531 -0.164 -0.275 1.00 0.00 N ATOM 130 CA VAL A 8 3.145 -0.643 -0.036 1.00 0.00 C ATOM 131 C VAL A 8 2.660 -1.472 -1.231 1.00 0.00 C ATOM 132 O VAL A 8 2.603 -2.682 -1.172 1.00 0.00 O ATOM 133 CB VAL A 8 2.197 0.552 0.208 1.00 0.00 C ATOM 134 CG1 VAL A 8 2.578 1.734 -0.683 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.749 0.136 -0.092 1.00 0.00 C ATOM 0 H VAL A 8 4.613 0.805 -0.583 1.00 0.00 H new ATOM 0 HA VAL A 8 3.142 -1.274 0.853 1.00 0.00 H new ATOM 0 HB VAL A 8 2.286 0.854 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.898 2.565 -0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.599 2.043 -0.460 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.509 1.438 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.084 0.982 0.082 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.669 -0.181 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.465 -0.689 0.561 1.00 0.00 H new ATOM 145 N GLY A 9 2.282 -0.842 -2.305 1.00 0.00 N ATOM 146 CA GLY A 9 1.776 -1.624 -3.460 1.00 0.00 C ATOM 147 C GLY A 9 0.512 -2.340 -3.016 1.00 0.00 C ATOM 148 O GLY A 9 0.554 -3.420 -2.460 1.00 0.00 O ATOM 0 H GLY A 9 2.301 0.170 -2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.567 -0.967 -4.304 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.525 -2.342 -3.793 1.00 0.00 H new ATOM 152 N ILE A 10 -0.610 -1.733 -3.243 1.00 0.00 N ATOM 153 CA ILE A 10 -1.890 -2.358 -2.821 1.00 0.00 C ATOM 154 C ILE A 10 -1.939 -3.762 -3.388 1.00 0.00 C ATOM 155 O ILE A 10 -1.202 -4.104 -4.291 1.00 0.00 O ATOM 156 CB ILE A 10 -3.114 -1.568 -3.314 1.00 0.00 C ATOM 157 CG1 ILE A 10 -2.709 -0.161 -3.768 1.00 0.00 C ATOM 158 CG2 ILE A 10 -4.125 -1.453 -2.167 1.00 0.00 C ATOM 159 CD1 ILE A 10 -3.941 0.590 -4.273 1.00 0.00 C ATOM 0 H ILE A 10 -0.700 -0.828 -3.704 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.927 -2.366 -1.732 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.554 -2.094 -4.162 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.254 0.382 -2.940 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.960 -0.224 -4.558 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.997 -0.894 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.433 -2.450 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.665 -0.933 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.651 1.590 -4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.377 0.050 -5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.675 0.666 -3.471 1.00 0.00 H new ATOM 171 N ILE A 11 -2.784 -4.581 -2.859 1.00 0.00 N ATOM 172 CA ILE A 11 -2.860 -5.968 -3.362 1.00 0.00 C ATOM 173 C ILE A 11 -4.313 -6.309 -3.687 1.00 0.00 C ATOM 174 O ILE A 11 -5.055 -6.769 -2.845 1.00 0.00 O ATOM 175 CB ILE A 11 -2.309 -6.910 -2.285 1.00 0.00 C ATOM 176 CG1 ILE A 11 -2.689 -6.369 -0.906 1.00 0.00 C ATOM 177 CG2 ILE A 11 -0.784 -6.966 -2.401 1.00 0.00 C ATOM 178 CD1 ILE A 11 -1.982 -7.177 0.188 1.00 0.00 C ATOM 0 H ILE A 11 -3.426 -4.353 -2.100 1.00 0.00 H new ATOM 0 HA ILE A 11 -2.268 -6.079 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.726 -7.909 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.411 -5.318 -0.830 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.769 -6.424 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.385 -7.634 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -0.508 -7.337 -3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.371 -5.967 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.259 -6.784 1.167 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.281 -8.223 0.119 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.903 -7.099 0.058 1.00 0.00 H new ATOM 190 N ARG A 12 -4.716 -6.102 -4.915 1.00 0.00 N ATOM 191 CA ARG A 12 -6.118 -6.429 -5.305 1.00 0.00 C ATOM 192 C ARG A 12 -6.185 -7.940 -5.434 1.00 0.00 C ATOM 193 O ARG A 12 -5.195 -8.610 -5.217 1.00 0.00 O ATOM 194 CB ARG A 12 -6.455 -5.750 -6.639 1.00 0.00 C ATOM 195 CG ARG A 12 -5.782 -4.377 -6.661 1.00 0.00 C ATOM 196 CD ARG A 12 -6.501 -3.415 -7.631 1.00 0.00 C ATOM 197 NE ARG A 12 -6.895 -4.164 -8.864 1.00 0.00 N ATOM 198 CZ ARG A 12 -7.624 -3.587 -9.785 1.00 0.00 C ATOM 199 NH1 ARG A 12 -7.053 -2.835 -10.686 1.00 0.00 N ATOM 200 NH2 ARG A 12 -8.917 -3.764 -9.816 1.00 0.00 N ATOM 0 H ARG A 12 -4.135 -5.721 -5.662 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.838 -6.074 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.106 -6.358 -7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.534 -5.646 -6.750 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.784 -3.953 -5.657 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.739 -4.486 -6.959 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.383 -2.989 -7.153 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.846 -2.583 -7.890 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.594 -5.131 -8.988 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.042 -2.699 -10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.618 -2.383 -11.406 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.368 -4.356 -9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.477 -3.310 -10.538 1.00 0.00 H new ATOM 214 N ASN A 13 -7.313 -8.522 -5.715 1.00 0.00 N ATOM 215 CA ASN A 13 -7.291 -10.004 -5.748 1.00 0.00 C ATOM 216 C ASN A 13 -8.406 -10.646 -6.595 1.00 0.00 C ATOM 217 O ASN A 13 -8.123 -11.364 -7.502 1.00 0.00 O ATOM 218 CB ASN A 13 -7.346 -10.480 -4.287 1.00 0.00 C ATOM 219 CG ASN A 13 -8.540 -11.413 -4.031 1.00 0.00 C ATOM 220 OD1 ASN A 13 -8.732 -12.383 -4.736 1.00 0.00 O ATOM 221 ND2 ASN A 13 -9.351 -11.158 -3.042 1.00 0.00 N ATOM 0 H ASN A 13 -8.204 -8.066 -5.913 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.377 -10.327 -6.247 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -6.420 -11.000 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.413 -9.616 -3.626 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -10.145 -11.773 -2.862 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.192 -10.344 -2.449 1.00 0.00 H new ATOM 228 N GLU A 14 -9.653 -10.465 -6.294 1.00 0.00 N ATOM 229 CA GLU A 14 -10.689 -11.207 -7.091 1.00 0.00 C ATOM 230 C GLU A 14 -11.172 -10.388 -8.285 1.00 0.00 C ATOM 231 O GLU A 14 -11.590 -10.918 -9.294 1.00 0.00 O ATOM 232 CB GLU A 14 -11.867 -11.513 -6.169 1.00 0.00 C ATOM 233 CG GLU A 14 -12.705 -12.641 -6.772 1.00 0.00 C ATOM 234 CD GLU A 14 -11.963 -13.968 -6.604 1.00 0.00 C ATOM 235 OE1 GLU A 14 -11.978 -14.498 -5.506 1.00 0.00 O ATOM 236 OE2 GLU A 14 -11.390 -14.431 -7.578 1.00 0.00 O ATOM 0 H GLU A 14 -10.006 -9.857 -5.555 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.248 -12.125 -7.480 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.505 -11.802 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -12.480 -10.621 -6.036 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -13.677 -12.690 -6.281 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -12.891 -12.446 -7.828 1.00 0.00 H new ATOM 243 N ASN A 15 -11.081 -9.117 -8.183 1.00 0.00 N ATOM 244 CA ASN A 15 -11.483 -8.218 -9.294 1.00 0.00 C ATOM 245 C ASN A 15 -10.815 -6.906 -8.978 1.00 0.00 C ATOM 246 O ASN A 15 -10.177 -6.267 -9.792 1.00 0.00 O ATOM 247 CB ASN A 15 -13.002 -8.046 -9.308 1.00 0.00 C ATOM 248 CG ASN A 15 -13.501 -8.014 -10.753 1.00 0.00 C ATOM 249 OD1 ASN A 15 -12.721 -7.892 -11.677 1.00 0.00 O ATOM 250 ND2 ASN A 15 -14.781 -8.119 -10.989 1.00 0.00 N ATOM 0 H ASN A 15 -10.735 -8.635 -7.354 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.196 -8.607 -10.271 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.476 -8.865 -8.767 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.278 -7.124 -8.797 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.126 -8.099 -11.949 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -15.436 -8.221 -10.214 1.00 0.00 H new ATOM 257 N ASN A 16 -10.942 -6.554 -7.744 1.00 0.00 N ATOM 258 CA ASN A 16 -10.328 -5.343 -7.205 1.00 0.00 C ATOM 259 C ASN A 16 -10.301 -5.547 -5.703 1.00 0.00 C ATOM 260 O ASN A 16 -10.494 -4.625 -4.936 1.00 0.00 O ATOM 261 CB ASN A 16 -11.174 -4.120 -7.564 1.00 0.00 C ATOM 262 CG ASN A 16 -10.394 -2.844 -7.244 1.00 0.00 C ATOM 263 OD1 ASN A 16 -9.476 -2.863 -6.449 1.00 0.00 O ATOM 264 ND2 ASN A 16 -10.725 -1.730 -7.835 1.00 0.00 N ATOM 0 H ASN A 16 -11.475 -7.089 -7.058 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.330 -5.172 -7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.434 -4.143 -8.622 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -12.110 -4.136 -7.005 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.213 -0.872 -7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -11.496 -1.716 -8.502 1.00 0.00 H new ATOM 271 N GLU A 17 -10.085 -6.771 -5.266 1.00 0.00 N ATOM 272 CA GLU A 17 -10.081 -7.007 -3.801 1.00 0.00 C ATOM 273 C GLU A 17 -8.738 -6.582 -3.231 1.00 0.00 C ATOM 274 O GLU A 17 -7.843 -7.383 -3.046 1.00 0.00 O ATOM 275 CB GLU A 17 -10.337 -8.480 -3.499 1.00 0.00 C ATOM 276 CG GLU A 17 -11.683 -8.898 -4.099 1.00 0.00 C ATOM 277 CD GLU A 17 -12.267 -10.050 -3.280 1.00 0.00 C ATOM 278 OE1 GLU A 17 -12.112 -10.029 -2.070 1.00 0.00 O ATOM 279 OE2 GLU A 17 -12.862 -10.933 -3.875 1.00 0.00 O ATOM 0 H GLU A 17 -9.917 -7.590 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.875 -6.420 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.536 -9.092 -3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.340 -8.646 -2.422 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.371 -8.053 -4.101 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.552 -9.205 -5.137 1.00 0.00 H new ATOM 286 N ILE A 18 -8.592 -5.321 -2.953 1.00 0.00 N ATOM 287 CA ILE A 18 -7.310 -4.831 -2.396 1.00 0.00 C ATOM 288 C ILE A 18 -7.256 -5.149 -0.906 1.00 0.00 C ATOM 289 O ILE A 18 -8.236 -5.030 -0.202 1.00 0.00 O ATOM 290 CB ILE A 18 -7.206 -3.313 -2.580 1.00 0.00 C ATOM 291 CG1 ILE A 18 -8.412 -2.628 -1.930 1.00 0.00 C ATOM 292 CG2 ILE A 18 -7.168 -2.966 -4.069 1.00 0.00 C ATOM 293 CD1 ILE A 18 -8.340 -1.123 -2.188 1.00 0.00 C ATOM 0 H ILE A 18 -9.308 -4.608 -3.088 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.486 -5.319 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.289 -2.964 -2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.338 -3.034 -2.337 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.422 -2.824 -0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -7.094 -1.885 -4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.304 -3.442 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.079 -3.323 -4.549 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.197 -0.633 -1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.420 -0.724 -1.760 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.351 -0.937 -3.262 1.00 0.00 H new ATOM 305 N PHE A 19 -6.111 -5.528 -0.418 1.00 0.00 N ATOM 306 CA PHE A 19 -5.973 -5.814 1.045 1.00 0.00 C ATOM 307 C PHE A 19 -5.776 -4.473 1.771 1.00 0.00 C ATOM 308 O PHE A 19 -4.908 -4.324 2.606 1.00 0.00 O ATOM 309 CB PHE A 19 -4.758 -6.716 1.279 1.00 0.00 C ATOM 310 CG PHE A 19 -4.862 -7.374 2.634 1.00 0.00 C ATOM 311 CD1 PHE A 19 -5.957 -8.192 2.935 1.00 0.00 C ATOM 312 CD2 PHE A 19 -3.859 -7.167 3.590 1.00 0.00 C ATOM 313 CE1 PHE A 19 -6.049 -8.804 4.191 1.00 0.00 C ATOM 314 CE2 PHE A 19 -3.951 -7.780 4.845 1.00 0.00 C ATOM 315 CZ PHE A 19 -5.047 -8.598 5.146 1.00 0.00 C ATOM 0 H PHE A 19 -5.260 -5.654 -0.966 1.00 0.00 H new ATOM 0 HA PHE A 19 -6.861 -6.322 1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.702 -7.476 0.499 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.841 -6.129 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.731 -8.351 2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.015 -6.534 3.359 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.894 -9.435 4.423 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -3.177 -7.622 5.581 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.119 -9.070 6.115 1.00 0.00 H new ATOM 325 N ILE A 20 -6.566 -3.490 1.419 1.00 0.00 N ATOM 326 CA ILE A 20 -6.445 -2.141 2.022 1.00 0.00 C ATOM 327 C ILE A 20 -7.119 -2.094 3.381 1.00 0.00 C ATOM 328 O ILE A 20 -8.067 -2.799 3.651 1.00 0.00 O ATOM 329 CB ILE A 20 -7.142 -1.149 1.100 1.00 0.00 C ATOM 330 CG1 ILE A 20 -6.957 0.274 1.614 1.00 0.00 C ATOM 331 CG2 ILE A 20 -8.634 -1.469 1.042 1.00 0.00 C ATOM 332 CD1 ILE A 20 -6.884 1.222 0.421 1.00 0.00 C ATOM 0 H ILE A 20 -7.305 -3.575 0.722 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.390 -1.897 2.147 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.704 -1.229 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.786 0.551 2.266 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.046 0.345 2.209 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -9.133 -0.759 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.775 -2.480 0.660 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.061 -1.396 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -6.752 2.244 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.041 0.946 -0.212 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -7.807 1.155 -0.154 1.00 0.00 H new ATOM 344 N THR A 21 -6.647 -1.236 4.223 1.00 0.00 N ATOM 345 CA THR A 21 -7.259 -1.102 5.571 1.00 0.00 C ATOM 346 C THR A 21 -8.641 -0.472 5.408 1.00 0.00 C ATOM 347 O THR A 21 -8.783 0.730 5.308 1.00 0.00 O ATOM 348 CB THR A 21 -6.366 -0.226 6.450 1.00 0.00 C ATOM 349 OG1 THR A 21 -7.089 0.224 7.593 1.00 0.00 O ATOM 350 CG2 THR A 21 -5.880 0.977 5.643 1.00 0.00 C ATOM 0 H THR A 21 -5.859 -0.615 4.041 1.00 0.00 H new ATOM 0 HA THR A 21 -7.358 -2.077 6.049 1.00 0.00 H new ATOM 0 HB THR A 21 -5.510 -0.813 6.783 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.507 0.783 8.149 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.243 1.602 6.269 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.312 0.630 4.780 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.738 1.558 5.304 1.00 0.00 H new ATOM 358 N ARG A 22 -9.653 -1.286 5.345 1.00 0.00 N ATOM 359 CA ARG A 22 -11.028 -0.760 5.143 1.00 0.00 C ATOM 360 C ARG A 22 -11.786 -0.676 6.471 1.00 0.00 C ATOM 361 O ARG A 22 -12.460 -1.607 6.866 1.00 0.00 O ATOM 362 CB ARG A 22 -11.764 -1.705 4.198 1.00 0.00 C ATOM 363 CG ARG A 22 -13.207 -1.242 4.035 1.00 0.00 C ATOM 364 CD ARG A 22 -13.277 -0.222 2.906 1.00 0.00 C ATOM 365 NE ARG A 22 -14.688 -0.140 2.429 1.00 0.00 N ATOM 366 CZ ARG A 22 -15.056 0.796 1.598 1.00 0.00 C ATOM 367 NH1 ARG A 22 -14.428 1.937 1.573 1.00 0.00 N ATOM 368 NH2 ARG A 22 -16.060 0.588 0.791 1.00 0.00 N ATOM 0 H ARG A 22 -9.587 -2.301 5.425 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.971 0.244 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.266 -1.727 3.228 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -11.740 -2.721 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.852 -2.092 3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.568 -0.800 4.964 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.938 0.753 3.255 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -12.617 -0.515 2.089 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.372 -0.823 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.645 2.102 2.205 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -14.720 2.665 0.921 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -16.554 -0.304 0.811 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -16.351 1.317 0.140 1.00 0.00 H new ATOM 382 N ARG A 23 -11.695 0.446 7.141 1.00 0.00 N ATOM 383 CA ARG A 23 -12.418 0.634 8.437 1.00 0.00 C ATOM 384 C ARG A 23 -12.516 -0.698 9.185 1.00 0.00 C ATOM 385 O ARG A 23 -13.518 -1.381 9.108 1.00 0.00 O ATOM 386 CB ARG A 23 -13.844 1.165 8.189 1.00 0.00 C ATOM 387 CG ARG A 23 -13.958 1.865 6.823 1.00 0.00 C ATOM 388 CD ARG A 23 -15.243 1.407 6.125 1.00 0.00 C ATOM 389 NE ARG A 23 -15.361 -0.075 6.236 1.00 0.00 N ATOM 390 CZ ARG A 23 -16.497 -0.667 5.980 1.00 0.00 C ATOM 391 NH1 ARG A 23 -17.185 -0.330 4.924 1.00 0.00 N ATOM 392 NH2 ARG A 23 -16.944 -1.596 6.781 1.00 0.00 N ATOM 0 H ARG A 23 -11.143 1.250 6.841 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.858 1.355 9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.554 0.339 8.236 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -14.116 1.864 8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.968 2.947 6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.091 1.628 6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -16.109 1.888 6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.227 1.705 5.077 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.551 -0.629 6.513 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -16.836 0.396 4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.072 -0.792 4.724 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -16.406 -1.860 7.607 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -17.831 -2.058 6.581 1.00 0.00 H new ATOM 406 N ALA A 24 -11.493 -1.075 9.904 1.00 0.00 N ATOM 407 CA ALA A 24 -11.547 -2.365 10.648 1.00 0.00 C ATOM 408 C ALA A 24 -12.925 -2.513 11.302 1.00 0.00 C ATOM 409 O ALA A 24 -13.557 -3.548 11.215 1.00 0.00 O ATOM 410 CB ALA A 24 -10.463 -2.380 11.728 1.00 0.00 C ATOM 0 H ALA A 24 -10.626 -0.548 10.008 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.379 -3.192 9.958 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.504 -3.324 12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.484 -2.271 11.262 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.628 -1.555 12.421 1.00 0.00 H new ATOM 416 N ALA A 25 -13.401 -1.481 11.947 1.00 0.00 N ATOM 417 CA ALA A 25 -14.742 -1.555 12.595 1.00 0.00 C ATOM 418 C ALA A 25 -15.830 -1.326 11.542 1.00 0.00 C ATOM 419 O ALA A 25 -15.547 -1.055 10.392 1.00 0.00 O ATOM 420 CB ALA A 25 -14.842 -0.480 13.678 1.00 0.00 C ATOM 0 H ALA A 25 -12.918 -0.589 12.053 1.00 0.00 H new ATOM 0 HA ALA A 25 -14.876 -2.538 13.046 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -15.822 -0.532 14.153 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -14.067 -0.644 14.426 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -14.709 0.504 13.228 1.00 0.00 H new ATOM 426 N ASP A 26 -17.075 -1.428 11.925 1.00 0.00 N ATOM 427 CA ASP A 26 -18.176 -1.211 10.943 1.00 0.00 C ATOM 428 C ASP A 26 -18.355 0.291 10.702 1.00 0.00 C ATOM 429 O ASP A 26 -18.882 1.004 11.534 1.00 0.00 O ATOM 430 CB ASP A 26 -19.476 -1.799 11.498 1.00 0.00 C ATOM 431 CG ASP A 26 -19.241 -3.251 11.923 1.00 0.00 C ATOM 432 OD1 ASP A 26 -18.213 -3.797 11.557 1.00 0.00 O ATOM 433 OD2 ASP A 26 -20.095 -3.793 12.607 1.00 0.00 O ATOM 0 H ASP A 26 -17.376 -1.652 12.873 1.00 0.00 H new ATOM 0 HA ASP A 26 -17.928 -1.702 10.002 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -19.819 -1.211 12.349 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -20.260 -1.753 10.742 1.00 0.00 H new ATOM 438 N ALA A 27 -17.914 0.778 9.573 1.00 0.00 N ATOM 439 CA ALA A 27 -18.050 2.235 9.280 1.00 0.00 C ATOM 440 C ALA A 27 -19.184 2.467 8.280 1.00 0.00 C ATOM 441 O ALA A 27 -19.283 1.796 7.271 1.00 0.00 O ATOM 442 CB ALA A 27 -16.742 2.758 8.680 1.00 0.00 C ATOM 0 H ALA A 27 -17.465 0.229 8.840 1.00 0.00 H new ATOM 0 HA ALA A 27 -18.273 2.763 10.207 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -16.840 3.822 8.465 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -15.929 2.604 9.390 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -16.524 2.220 7.757 1.00 0.00 H new ATOM 448 N HIS A 28 -20.031 3.423 8.543 1.00 0.00 N ATOM 449 CA HIS A 28 -21.147 3.712 7.601 1.00 0.00 C ATOM 450 C HIS A 28 -20.626 4.598 6.465 1.00 0.00 C ATOM 451 O HIS A 28 -21.374 5.035 5.613 1.00 0.00 O ATOM 452 CB HIS A 28 -22.268 4.446 8.341 1.00 0.00 C ATOM 453 CG HIS A 28 -23.586 4.147 7.680 1.00 0.00 C ATOM 454 ND1 HIS A 28 -23.992 2.853 7.395 1.00 0.00 N ATOM 455 CD2 HIS A 28 -24.599 4.964 7.241 1.00 0.00 C ATOM 456 CE1 HIS A 28 -25.201 2.927 6.810 1.00 0.00 C ATOM 457 NE2 HIS A 28 -25.618 4.192 6.692 1.00 0.00 N ATOM 0 H HIS A 28 -19.998 4.017 9.371 1.00 0.00 H new ATOM 0 HA HIS A 28 -21.534 2.777 7.195 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -22.294 4.134 9.385 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -22.081 5.520 8.334 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -23.469 2.000 7.593 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -24.604 6.042 7.311 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -25.766 2.069 6.476 1.00 0.00 H new ATOM 465 N MET A 29 -19.347 4.871 6.450 1.00 0.00 N ATOM 466 CA MET A 29 -18.777 5.732 5.376 1.00 0.00 C ATOM 467 C MET A 29 -18.059 4.855 4.339 1.00 0.00 C ATOM 468 O MET A 29 -18.632 3.919 3.818 1.00 0.00 O ATOM 469 CB MET A 29 -17.803 6.733 6.002 1.00 0.00 C ATOM 470 CG MET A 29 -18.582 7.729 6.861 1.00 0.00 C ATOM 471 SD MET A 29 -18.352 9.401 6.208 1.00 0.00 S ATOM 472 CE MET A 29 -20.084 9.921 6.292 1.00 0.00 C ATOM 0 H MET A 29 -18.673 4.533 7.137 1.00 0.00 H new ATOM 0 HA MET A 29 -19.574 6.279 4.873 1.00 0.00 H new ATOM 0 HB2 MET A 29 -17.067 6.209 6.611 1.00 0.00 H new ATOM 0 HB3 MET A 29 -17.254 7.260 5.222 1.00 0.00 H new ATOM 0 HG2 MET A 29 -19.641 7.471 6.865 1.00 0.00 H new ATOM 0 HG3 MET A 29 -18.238 7.681 7.894 1.00 0.00 H new ATOM 0 HE1 MET A 29 -20.175 10.945 5.929 1.00 0.00 H new ATOM 0 HE2 MET A 29 -20.692 9.261 5.673 1.00 0.00 H new ATOM 0 HE3 MET A 29 -20.429 9.870 7.325 1.00 0.00 H new ATOM 482 N ALA A 30 -16.813 5.139 4.035 1.00 0.00 N ATOM 483 CA ALA A 30 -16.088 4.303 3.031 1.00 0.00 C ATOM 484 C ALA A 30 -14.819 5.007 2.512 1.00 0.00 C ATOM 485 O ALA A 30 -14.055 4.429 1.767 1.00 0.00 O ATOM 486 CB ALA A 30 -17.015 4.004 1.856 1.00 0.00 C ATOM 0 H ALA A 30 -16.274 5.906 4.436 1.00 0.00 H new ATOM 0 HA ALA A 30 -15.784 3.378 3.521 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -16.488 3.394 1.123 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -17.892 3.465 2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -17.328 4.939 1.392 1.00 0.00 H new ATOM 492 N ASN A 31 -14.563 6.230 2.900 1.00 0.00 N ATOM 493 CA ASN A 31 -13.324 6.910 2.419 1.00 0.00 C ATOM 494 C ASN A 31 -12.128 6.413 3.238 1.00 0.00 C ATOM 495 O ASN A 31 -11.035 6.935 3.141 1.00 0.00 O ATOM 496 CB ASN A 31 -13.463 8.427 2.578 1.00 0.00 C ATOM 497 CG ASN A 31 -14.031 8.756 3.960 1.00 0.00 C ATOM 498 OD1 ASN A 31 -15.223 8.680 4.174 1.00 0.00 O ATOM 499 ND2 ASN A 31 -13.220 9.129 4.912 1.00 0.00 N ATOM 0 H ASN A 31 -15.152 6.782 3.523 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.170 6.679 1.365 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -12.492 8.905 2.451 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.118 8.824 1.802 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -13.588 9.357 5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.218 9.193 4.732 1.00 0.00 H new ATOM 506 N LYS A 32 -12.337 5.406 4.046 1.00 0.00 N ATOM 507 CA LYS A 32 -11.245 4.846 4.886 1.00 0.00 C ATOM 508 C LYS A 32 -10.386 3.884 4.060 1.00 0.00 C ATOM 509 O LYS A 32 -10.289 2.713 4.371 1.00 0.00 O ATOM 510 CB LYS A 32 -11.884 4.069 6.030 1.00 0.00 C ATOM 511 CG LYS A 32 -11.036 4.199 7.290 1.00 0.00 C ATOM 512 CD LYS A 32 -9.663 3.563 7.059 1.00 0.00 C ATOM 513 CE LYS A 32 -8.951 3.386 8.403 1.00 0.00 C ATOM 514 NZ LYS A 32 -7.513 3.748 8.255 1.00 0.00 N ATOM 0 H LYS A 32 -13.238 4.941 4.159 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.616 5.654 5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -12.889 4.445 6.219 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.983 3.019 5.756 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.920 5.250 7.555 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -11.536 3.713 8.128 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.776 2.598 6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.066 4.191 6.399 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.419 4.015 9.160 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.044 2.355 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.029 3.628 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.071 3.130 7.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.434 4.739 7.949 1.00 0.00 H new ATOM 528 N LEU A 33 -9.759 4.353 3.020 1.00 0.00 N ATOM 529 CA LEU A 33 -8.914 3.440 2.200 1.00 0.00 C ATOM 530 C LEU A 33 -7.492 3.998 2.126 1.00 0.00 C ATOM 531 O LEU A 33 -7.168 4.800 1.273 1.00 0.00 O ATOM 532 CB LEU A 33 -9.506 3.313 0.785 1.00 0.00 C ATOM 533 CG LEU A 33 -10.771 2.447 0.804 1.00 0.00 C ATOM 534 CD1 LEU A 33 -11.019 1.903 -0.602 1.00 0.00 C ATOM 535 CD2 LEU A 33 -10.599 1.263 1.761 1.00 0.00 C ATOM 0 H LEU A 33 -9.793 5.322 2.703 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.890 2.452 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.742 4.303 0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.768 2.873 0.114 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.610 3.058 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.917 1.285 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.152 2.734 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.166 1.302 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.507 0.660 1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.757 0.651 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.410 1.634 2.768 1.00 0.00 H new ATOM 547 N GLU A 34 -6.639 3.569 3.018 1.00 0.00 N ATOM 548 CA GLU A 34 -5.232 4.060 3.010 1.00 0.00 C ATOM 549 C GLU A 34 -4.384 3.128 2.142 1.00 0.00 C ATOM 550 O GLU A 34 -4.849 2.588 1.162 1.00 0.00 O ATOM 551 CB GLU A 34 -4.693 4.062 4.441 1.00 0.00 C ATOM 552 CG GLU A 34 -3.859 5.322 4.669 1.00 0.00 C ATOM 553 CD GLU A 34 -2.539 4.943 5.342 1.00 0.00 C ATOM 554 OE1 GLU A 34 -1.624 4.557 4.632 1.00 0.00 O ATOM 555 OE2 GLU A 34 -2.465 5.046 6.555 1.00 0.00 O ATOM 0 H GLU A 34 -6.858 2.897 3.754 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.192 5.072 2.606 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.518 4.026 5.152 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.085 3.174 4.613 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.666 5.820 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.408 6.027 5.293 1.00 0.00 H new ATOM 562 N PHE A 35 -3.146 2.924 2.490 1.00 0.00 N ATOM 563 CA PHE A 35 -2.299 2.015 1.670 1.00 0.00 C ATOM 564 C PHE A 35 -1.377 1.210 2.588 1.00 0.00 C ATOM 565 O PHE A 35 -0.684 1.774 3.411 1.00 0.00 O ATOM 566 CB PHE A 35 -1.450 2.815 0.667 1.00 0.00 C ATOM 567 CG PHE A 35 -1.718 4.297 0.806 1.00 0.00 C ATOM 568 CD1 PHE A 35 -1.165 5.010 1.874 1.00 0.00 C ATOM 569 CD2 PHE A 35 -2.521 4.953 -0.134 1.00 0.00 C ATOM 570 CE1 PHE A 35 -1.414 6.382 2.003 1.00 0.00 C ATOM 571 CE2 PHE A 35 -2.770 6.323 -0.006 1.00 0.00 C ATOM 572 CZ PHE A 35 -2.217 7.039 1.062 1.00 0.00 C ATOM 0 H PHE A 35 -2.687 3.343 3.299 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.951 1.342 1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.392 2.614 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.678 2.492 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.546 4.503 2.599 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -2.948 4.401 -0.958 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.987 6.933 2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.389 6.829 -0.732 1.00 0.00 H new ATOM 0 HZ PHE A 35 -2.409 8.097 1.160 1.00 0.00 H new ATOM 582 N PRO A 36 -1.391 -0.089 2.415 1.00 0.00 N ATOM 583 CA PRO A 36 -0.552 -0.992 3.219 1.00 0.00 C ATOM 584 C PRO A 36 0.923 -0.638 3.014 1.00 0.00 C ATOM 585 O PRO A 36 1.523 -1.042 2.050 1.00 0.00 O ATOM 586 CB PRO A 36 -0.861 -2.392 2.667 1.00 0.00 C ATOM 587 CG PRO A 36 -1.780 -2.221 1.430 1.00 0.00 C ATOM 588 CD PRO A 36 -2.236 -0.761 1.406 1.00 0.00 C ATOM 0 HA PRO A 36 -0.750 -0.924 4.289 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.060 -2.906 2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -1.351 -3.002 3.426 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.244 -2.472 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -2.637 -2.891 1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.101 -0.320 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.294 -0.672 1.653 1.00 0.00 H new ATOM 596 N GLY A 37 1.497 0.135 3.905 1.00 0.00 N ATOM 597 CA GLY A 37 2.927 0.549 3.756 1.00 0.00 C ATOM 598 C GLY A 37 3.851 -0.664 3.584 1.00 0.00 C ATOM 599 O GLY A 37 3.524 -1.631 2.929 1.00 0.00 O ATOM 0 H GLY A 37 1.031 0.499 4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.027 1.209 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.234 1.120 4.632 1.00 0.00 H new ATOM 603 N GLY A 38 5.016 -0.610 4.171 1.00 0.00 N ATOM 604 CA GLY A 38 5.976 -1.743 4.046 1.00 0.00 C ATOM 605 C GLY A 38 7.401 -1.213 4.217 1.00 0.00 C ATOM 606 O GLY A 38 8.256 -1.879 4.769 1.00 0.00 O ATOM 0 H GLY A 38 5.345 0.174 4.734 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.764 -2.501 4.800 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.867 -2.222 3.073 1.00 0.00 H new ATOM 610 N LYS A 39 7.648 -0.015 3.749 1.00 0.00 N ATOM 611 CA LYS A 39 9.007 0.597 3.874 1.00 0.00 C ATOM 612 C LYS A 39 10.006 -0.134 2.980 1.00 0.00 C ATOM 613 O LYS A 39 10.579 -1.128 3.364 1.00 0.00 O ATOM 614 CB LYS A 39 9.485 0.520 5.322 1.00 0.00 C ATOM 615 CG LYS A 39 10.884 1.134 5.428 1.00 0.00 C ATOM 616 CD LYS A 39 10.780 2.657 5.368 1.00 0.00 C ATOM 617 CE LYS A 39 11.994 3.222 4.630 1.00 0.00 C ATOM 618 NZ LYS A 39 13.153 3.288 5.564 1.00 0.00 N ATOM 0 H LYS A 39 6.958 0.572 3.280 1.00 0.00 H new ATOM 0 HA LYS A 39 8.942 1.640 3.564 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.792 1.051 5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.505 -0.518 5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.357 0.828 6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.515 0.770 4.617 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.862 2.950 4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.730 3.069 6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.238 2.593 3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 39 11.768 4.215 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.980 3.672 5.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.917 3.905 6.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.372 2.333 5.913 1.00 0.00 H new ATOM 632 N ILE A 40 10.237 0.364 1.800 1.00 0.00 N ATOM 633 CA ILE A 40 11.224 -0.304 0.900 1.00 0.00 C ATOM 634 C ILE A 40 12.633 0.120 1.312 1.00 0.00 C ATOM 635 O ILE A 40 12.895 1.278 1.570 1.00 0.00 O ATOM 636 CB ILE A 40 10.945 0.055 -0.578 1.00 0.00 C ATOM 637 CG1 ILE A 40 12.265 0.168 -1.381 1.00 0.00 C ATOM 638 CG2 ILE A 40 10.164 1.371 -0.671 1.00 0.00 C ATOM 639 CD1 ILE A 40 12.764 1.620 -1.415 1.00 0.00 C ATOM 0 H ILE A 40 9.791 1.198 1.418 1.00 0.00 H new ATOM 0 HA ILE A 40 11.133 -1.386 0.994 1.00 0.00 H new ATOM 0 HB ILE A 40 10.345 -0.746 -1.010 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.025 -0.471 -0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.108 -0.191 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.976 1.609 -1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 40 9.214 1.268 -0.146 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.746 2.172 -0.215 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.692 1.673 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 40 12.012 2.252 -1.887 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.943 1.967 -0.397 1.00 0.00 H new ATOM 651 N GLU A 41 13.541 -0.811 1.378 1.00 0.00 N ATOM 652 CA GLU A 41 14.927 -0.459 1.774 1.00 0.00 C ATOM 653 C GLU A 41 15.853 -1.661 1.545 1.00 0.00 C ATOM 654 O GLU A 41 17.006 -1.510 1.196 1.00 0.00 O ATOM 655 CB GLU A 41 14.940 -0.052 3.252 1.00 0.00 C ATOM 656 CG GLU A 41 14.949 -1.298 4.142 1.00 0.00 C ATOM 657 CD GLU A 41 15.035 -0.878 5.610 1.00 0.00 C ATOM 658 OE1 GLU A 41 15.694 0.110 5.885 1.00 0.00 O ATOM 659 OE2 GLU A 41 14.440 -1.553 6.434 1.00 0.00 O ATOM 0 H GLU A 41 13.382 -1.798 1.175 1.00 0.00 H new ATOM 0 HA GLU A 41 15.283 0.375 1.169 1.00 0.00 H new ATOM 0 HB2 GLU A 41 15.818 0.560 3.461 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.065 0.558 3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.046 -1.885 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 41 15.795 -1.935 3.885 1.00 0.00 H new ATOM 666 N MET A 42 15.353 -2.855 1.738 1.00 0.00 N ATOM 667 CA MET A 42 16.204 -4.066 1.531 1.00 0.00 C ATOM 668 C MET A 42 16.908 -3.970 0.178 1.00 0.00 C ATOM 669 O MET A 42 16.459 -3.284 -0.718 1.00 0.00 O ATOM 670 CB MET A 42 15.328 -5.322 1.563 1.00 0.00 C ATOM 671 CG MET A 42 15.523 -6.052 2.893 1.00 0.00 C ATOM 672 SD MET A 42 14.303 -5.459 4.091 1.00 0.00 S ATOM 673 CE MET A 42 14.749 -6.573 5.446 1.00 0.00 C ATOM 0 H MET A 42 14.394 -3.044 2.029 1.00 0.00 H new ATOM 0 HA MET A 42 16.948 -4.124 2.325 1.00 0.00 H new ATOM 0 HB2 MET A 42 14.280 -5.050 1.437 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.589 -5.980 0.734 1.00 0.00 H new ATOM 0 HG2 MET A 42 15.415 -7.127 2.749 1.00 0.00 H new ATOM 0 HG3 MET A 42 16.531 -5.881 3.270 1.00 0.00 H new ATOM 0 HE1 MET A 42 14.108 -6.376 6.305 1.00 0.00 H new ATOM 0 HE2 MET A 42 14.619 -7.607 5.125 1.00 0.00 H new ATOM 0 HE3 MET A 42 15.790 -6.408 5.725 1.00 0.00 H new ATOM 683 N GLY A 43 18.011 -4.652 0.019 1.00 0.00 N ATOM 684 CA GLY A 43 18.741 -4.592 -1.280 1.00 0.00 C ATOM 685 C GLY A 43 18.802 -3.142 -1.749 1.00 0.00 C ATOM 686 O GLY A 43 19.295 -2.273 -1.057 1.00 0.00 O ATOM 0 H GLY A 43 18.437 -5.246 0.730 1.00 0.00 H new ATOM 0 HA2 GLY A 43 19.748 -4.993 -1.165 1.00 0.00 H new ATOM 0 HA3 GLY A 43 18.236 -5.208 -2.024 1.00 0.00 H new ATOM 690 N GLU A 44 18.296 -2.873 -2.917 1.00 0.00 N ATOM 691 CA GLU A 44 18.315 -1.477 -3.432 1.00 0.00 C ATOM 692 C GLU A 44 17.313 -1.343 -4.580 1.00 0.00 C ATOM 693 O GLU A 44 17.410 -0.449 -5.396 1.00 0.00 O ATOM 694 CB GLU A 44 19.722 -1.126 -3.932 1.00 0.00 C ATOM 695 CG GLU A 44 20.461 -2.400 -4.357 1.00 0.00 C ATOM 696 CD GLU A 44 21.597 -2.037 -5.317 1.00 0.00 C ATOM 697 OE1 GLU A 44 21.711 -0.870 -5.653 1.00 0.00 O ATOM 698 OE2 GLU A 44 22.332 -2.933 -5.700 1.00 0.00 O ATOM 0 H GLU A 44 17.869 -3.560 -3.539 1.00 0.00 H new ATOM 0 HA GLU A 44 18.041 -0.793 -2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 44 19.656 -0.436 -4.773 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.280 -0.617 -3.146 1.00 0.00 H new ATOM 0 HG2 GLU A 44 20.861 -2.910 -3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 44 19.769 -3.090 -4.840 1.00 0.00 H new ATOM 705 N THR A 45 16.350 -2.225 -4.652 1.00 0.00 N ATOM 706 CA THR A 45 15.349 -2.146 -5.750 1.00 0.00 C ATOM 707 C THR A 45 13.952 -2.354 -5.163 1.00 0.00 C ATOM 708 O THR A 45 13.782 -3.168 -4.288 1.00 0.00 O ATOM 709 CB THR A 45 15.655 -3.257 -6.759 1.00 0.00 C ATOM 710 OG1 THR A 45 16.957 -3.060 -7.291 1.00 0.00 O ATOM 711 CG2 THR A 45 14.635 -3.233 -7.898 1.00 0.00 C ATOM 0 H THR A 45 16.216 -2.995 -3.997 1.00 0.00 H new ATOM 0 HA THR A 45 15.392 -1.174 -6.242 1.00 0.00 H new ATOM 0 HB THR A 45 15.600 -4.221 -6.254 1.00 0.00 H new ATOM 0 HG1 THR A 45 17.158 -3.770 -7.936 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.864 -4.028 -8.608 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.634 -3.385 -7.494 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.679 -2.269 -8.405 1.00 0.00 H new ATOM 719 N PRO A 46 12.985 -1.629 -5.668 1.00 0.00 N ATOM 720 CA PRO A 46 11.593 -1.759 -5.194 1.00 0.00 C ATOM 721 C PRO A 46 11.170 -3.233 -5.191 1.00 0.00 C ATOM 722 O PRO A 46 10.210 -3.606 -4.549 1.00 0.00 O ATOM 723 CB PRO A 46 10.768 -0.924 -6.184 1.00 0.00 C ATOM 724 CG PRO A 46 11.769 -0.115 -7.052 1.00 0.00 C ATOM 725 CD PRO A 46 13.187 -0.628 -6.733 1.00 0.00 C ATOM 0 HA PRO A 46 11.455 -1.409 -4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.151 -1.569 -6.810 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.092 -0.254 -5.652 1.00 0.00 H new ATOM 0 HG2 PRO A 46 11.546 -0.242 -8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 46 11.690 0.950 -6.835 1.00 0.00 H new ATOM 0 HD2 PRO A 46 13.656 -1.072 -7.611 1.00 0.00 H new ATOM 0 HD3 PRO A 46 13.837 0.181 -6.399 1.00 0.00 H new ATOM 733 N GLU A 47 11.891 -4.077 -5.884 1.00 0.00 N ATOM 734 CA GLU A 47 11.542 -5.521 -5.892 1.00 0.00 C ATOM 735 C GLU A 47 12.007 -6.146 -4.579 1.00 0.00 C ATOM 736 O GLU A 47 11.248 -6.274 -3.656 1.00 0.00 O ATOM 737 CB GLU A 47 12.236 -6.216 -7.064 1.00 0.00 C ATOM 738 CG GLU A 47 11.191 -6.651 -8.093 1.00 0.00 C ATOM 739 CD GLU A 47 11.669 -6.270 -9.494 1.00 0.00 C ATOM 740 OE1 GLU A 47 12.499 -5.383 -9.596 1.00 0.00 O ATOM 741 OE2 GLU A 47 11.194 -6.870 -10.444 1.00 0.00 O ATOM 0 H GLU A 47 12.706 -3.824 -6.443 1.00 0.00 H new ATOM 0 HA GLU A 47 10.464 -5.638 -5.999 1.00 0.00 H new ATOM 0 HB2 GLU A 47 12.957 -5.541 -7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.793 -7.082 -6.708 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.030 -7.727 -8.032 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.235 -6.173 -7.881 1.00 0.00 H new ATOM 748 N GLN A 48 13.244 -6.538 -4.476 1.00 0.00 N ATOM 749 CA GLN A 48 13.711 -7.152 -3.197 1.00 0.00 C ATOM 750 C GLN A 48 13.211 -6.330 -2.020 1.00 0.00 C ATOM 751 O GLN A 48 12.901 -6.851 -0.978 1.00 0.00 O ATOM 752 CB GLN A 48 15.234 -7.178 -3.135 1.00 0.00 C ATOM 753 CG GLN A 48 15.742 -8.492 -3.722 1.00 0.00 C ATOM 754 CD GLN A 48 16.678 -9.169 -2.718 1.00 0.00 C ATOM 755 OE1 GLN A 48 17.445 -8.432 -1.963 1.00 0.00 O flip ATOM 756 NE2 GLN A 48 16.710 -10.380 -2.621 1.00 0.00 N flip ATOM 0 H GLN A 48 13.948 -6.463 -5.211 1.00 0.00 H new ATOM 0 HA GLN A 48 13.322 -8.169 -3.152 1.00 0.00 H new ATOM 0 HB2 GLN A 48 15.646 -6.335 -3.690 1.00 0.00 H new ATOM 0 HB3 GLN A 48 15.569 -7.074 -2.103 1.00 0.00 H new ATOM 0 HG2 GLN A 48 14.903 -9.148 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 48 16.268 -8.306 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 48 16.110 -10.955 -3.212 1.00 0.00 H new ATOM 0 HE22 GLN A 48 17.337 -10.821 -1.949 1.00 0.00 H new ATOM 765 N ALA A 49 13.156 -5.048 -2.172 1.00 0.00 N ATOM 766 CA ALA A 49 12.702 -4.190 -1.053 1.00 0.00 C ATOM 767 C ALA A 49 11.245 -4.488 -0.712 1.00 0.00 C ATOM 768 O ALA A 49 10.937 -4.868 0.384 1.00 0.00 O ATOM 769 CB ALA A 49 12.835 -2.724 -1.442 1.00 0.00 C ATOM 0 H ALA A 49 13.407 -4.551 -3.027 1.00 0.00 H new ATOM 0 HA ALA A 49 13.323 -4.398 -0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.500 -2.097 -0.616 1.00 0.00 H new ATOM 0 HB2 ALA A 49 13.878 -2.501 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.223 -2.524 -2.321 1.00 0.00 H new ATOM 775 N VAL A 50 10.345 -4.301 -1.631 1.00 0.00 N ATOM 776 CA VAL A 50 8.906 -4.556 -1.323 1.00 0.00 C ATOM 777 C VAL A 50 8.648 -6.061 -1.161 1.00 0.00 C ATOM 778 O VAL A 50 8.031 -6.503 -0.216 1.00 0.00 O ATOM 779 CB VAL A 50 8.056 -3.982 -2.459 1.00 0.00 C ATOM 780 CG1 VAL A 50 7.964 -4.976 -3.622 1.00 0.00 C ATOM 781 CG2 VAL A 50 6.654 -3.682 -1.942 1.00 0.00 C ATOM 0 H VAL A 50 10.538 -3.984 -2.581 1.00 0.00 H new ATOM 0 HA VAL A 50 8.638 -4.072 -0.384 1.00 0.00 H new ATOM 0 HB VAL A 50 8.526 -3.066 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 50 7.355 -4.548 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.964 -5.185 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.507 -5.902 -3.274 1.00 0.00 H new ATOM 0 HG21 VAL A 50 6.048 -3.273 -2.750 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.197 -4.601 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.713 -2.957 -1.130 1.00 0.00 H new ATOM 791 N VAL A 51 9.116 -6.830 -2.090 1.00 0.00 N ATOM 792 CA VAL A 51 8.929 -8.309 -2.058 1.00 0.00 C ATOM 793 C VAL A 51 9.490 -8.896 -0.754 1.00 0.00 C ATOM 794 O VAL A 51 8.930 -9.811 -0.184 1.00 0.00 O ATOM 795 CB VAL A 51 9.672 -8.900 -3.258 1.00 0.00 C ATOM 796 CG1 VAL A 51 11.168 -8.960 -2.956 1.00 0.00 C ATOM 797 CG2 VAL A 51 9.161 -10.309 -3.546 1.00 0.00 C ATOM 0 H VAL A 51 9.638 -6.491 -2.898 1.00 0.00 H new ATOM 0 HA VAL A 51 7.867 -8.552 -2.105 1.00 0.00 H new ATOM 0 HB VAL A 51 9.497 -8.268 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 51 11.695 -9.381 -3.812 1.00 0.00 H new ATOM 0 HG12 VAL A 51 11.540 -7.955 -2.759 1.00 0.00 H new ATOM 0 HG13 VAL A 51 11.338 -9.587 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.695 -10.722 -4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 51 9.328 -10.942 -2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.095 -10.271 -3.768 1.00 0.00 H new ATOM 807 N ARG A 52 10.586 -8.370 -0.278 1.00 0.00 N ATOM 808 CA ARG A 52 11.183 -8.884 0.985 1.00 0.00 C ATOM 809 C ARG A 52 10.392 -8.289 2.138 1.00 0.00 C ATOM 810 O ARG A 52 10.066 -8.951 3.098 1.00 0.00 O ATOM 811 CB ARG A 52 12.652 -8.461 1.061 1.00 0.00 C ATOM 812 CG ARG A 52 13.428 -9.172 -0.044 1.00 0.00 C ATOM 813 CD ARG A 52 13.751 -10.592 0.410 1.00 0.00 C ATOM 814 NE ARG A 52 13.475 -11.547 -0.699 1.00 0.00 N ATOM 815 CZ ARG A 52 13.962 -12.757 -0.654 1.00 0.00 C ATOM 816 NH1 ARG A 52 14.112 -13.359 0.496 1.00 0.00 N ATOM 817 NH2 ARG A 52 14.297 -13.367 -1.760 1.00 0.00 N ATOM 0 H ARG A 52 11.096 -7.601 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 52 11.142 -9.972 1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.740 -7.380 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.067 -8.714 2.036 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.840 -9.195 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.347 -8.630 -0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 52 14.797 -10.660 0.710 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.152 -10.850 1.283 1.00 0.00 H new ATOM 0 HE ARG A 52 12.906 -11.255 -1.493 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.848 -12.883 1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.493 -14.305 0.531 1.00 0.00 H new ATOM 0 HH21 ARG A 52 14.178 -12.897 -2.658 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.678 -14.313 -1.726 1.00 0.00 H new ATOM 831 N GLU A 53 10.034 -7.048 2.008 1.00 0.00 N ATOM 832 CA GLU A 53 9.199 -6.393 3.051 1.00 0.00 C ATOM 833 C GLU A 53 7.838 -7.079 3.044 1.00 0.00 C ATOM 834 O GLU A 53 7.047 -6.949 3.953 1.00 0.00 O ATOM 835 CB GLU A 53 9.016 -4.917 2.707 1.00 0.00 C ATOM 836 CG GLU A 53 10.377 -4.233 2.696 1.00 0.00 C ATOM 837 CD GLU A 53 10.632 -3.571 4.049 1.00 0.00 C ATOM 838 OE1 GLU A 53 9.766 -3.662 4.904 1.00 0.00 O ATOM 839 OE2 GLU A 53 11.690 -2.985 4.211 1.00 0.00 O ATOM 0 H GLU A 53 10.285 -6.452 1.219 1.00 0.00 H new ATOM 0 HA GLU A 53 9.674 -6.473 4.029 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.536 -4.815 1.734 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.362 -4.440 3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.159 -4.962 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.413 -3.487 1.903 1.00 0.00 H new ATOM 846 N LEU A 54 7.579 -7.806 1.993 1.00 0.00 N ATOM 847 CA LEU A 54 6.295 -8.529 1.834 1.00 0.00 C ATOM 848 C LEU A 54 6.325 -9.829 2.638 1.00 0.00 C ATOM 849 O LEU A 54 5.352 -10.227 3.246 1.00 0.00 O ATOM 850 CB LEU A 54 6.115 -8.848 0.348 1.00 0.00 C ATOM 851 CG LEU A 54 5.005 -7.982 -0.254 1.00 0.00 C ATOM 852 CD1 LEU A 54 3.756 -8.077 0.618 1.00 0.00 C ATOM 853 CD2 LEU A 54 5.469 -6.525 -0.322 1.00 0.00 C ATOM 0 H LEU A 54 8.228 -7.930 1.216 1.00 0.00 H new ATOM 0 HA LEU A 54 5.470 -7.916 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.050 -8.673 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.870 -9.903 0.223 1.00 0.00 H new ATOM 0 HG LEU A 54 4.776 -8.336 -1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.966 -7.461 0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.423 -9.114 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.986 -7.725 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.677 -5.911 -0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.700 -6.170 0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.360 -6.456 -0.946 1.00 0.00 H new ATOM 865 N GLN A 55 7.446 -10.489 2.633 1.00 0.00 N ATOM 866 CA GLN A 55 7.577 -11.777 3.378 1.00 0.00 C ATOM 867 C GLN A 55 7.786 -11.481 4.856 1.00 0.00 C ATOM 868 O GLN A 55 7.095 -11.996 5.713 1.00 0.00 O ATOM 869 CB GLN A 55 8.786 -12.569 2.858 1.00 0.00 C ATOM 870 CG GLN A 55 9.124 -12.165 1.417 1.00 0.00 C ATOM 871 CD GLN A 55 10.291 -13.021 0.920 1.00 0.00 C ATOM 872 OE1 GLN A 55 11.438 -12.653 1.079 1.00 0.00 O ATOM 873 NE2 GLN A 55 10.048 -14.156 0.325 1.00 0.00 N ATOM 0 H GLN A 55 8.288 -10.191 2.141 1.00 0.00 H new ATOM 0 HA GLN A 55 6.670 -12.364 3.233 1.00 0.00 H new ATOM 0 HB2 GLN A 55 9.647 -12.391 3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 55 8.572 -13.637 2.900 1.00 0.00 H new ATOM 0 HG2 GLN A 55 8.255 -12.303 0.774 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.387 -11.108 1.374 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.085 -14.466 0.191 1.00 0.00 H new ATOM 0 HE22 GLN A 55 10.821 -14.734 -0.006 1.00 0.00 H new ATOM 882 N GLU A 56 8.745 -10.660 5.157 1.00 0.00 N ATOM 883 CA GLU A 56 9.023 -10.324 6.574 1.00 0.00 C ATOM 884 C GLU A 56 7.711 -10.043 7.316 1.00 0.00 C ATOM 885 O GLU A 56 7.633 -10.181 8.521 1.00 0.00 O ATOM 886 CB GLU A 56 9.946 -9.104 6.627 1.00 0.00 C ATOM 887 CG GLU A 56 9.426 -7.996 5.719 1.00 0.00 C ATOM 888 CD GLU A 56 8.591 -7.009 6.538 1.00 0.00 C ATOM 889 OE1 GLU A 56 8.332 -7.303 7.694 1.00 0.00 O ATOM 890 OE2 GLU A 56 8.226 -5.975 5.999 1.00 0.00 O ATOM 0 H GLU A 56 9.353 -10.204 4.477 1.00 0.00 H new ATOM 0 HA GLU A 56 9.515 -11.166 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.016 -8.739 7.652 1.00 0.00 H new ATOM 0 HB3 GLU A 56 10.952 -9.390 6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.261 -7.477 5.247 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.822 -8.422 4.918 1.00 0.00 H new ATOM 897 N GLU A 57 6.673 -9.661 6.615 1.00 0.00 N ATOM 898 CA GLU A 57 5.376 -9.391 7.295 1.00 0.00 C ATOM 899 C GLU A 57 4.651 -10.721 7.566 1.00 0.00 C ATOM 900 O GLU A 57 4.907 -11.387 8.550 1.00 0.00 O ATOM 901 CB GLU A 57 4.516 -8.475 6.411 1.00 0.00 C ATOM 902 CG GLU A 57 5.370 -7.322 5.892 1.00 0.00 C ATOM 903 CD GLU A 57 4.981 -6.023 6.599 1.00 0.00 C ATOM 904 OE1 GLU A 57 4.254 -6.097 7.576 1.00 0.00 O ATOM 905 OE2 GLU A 57 5.419 -4.975 6.151 1.00 0.00 O ATOM 0 H GLU A 57 6.670 -9.526 5.604 1.00 0.00 H new ATOM 0 HA GLU A 57 5.554 -8.891 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.103 -9.041 5.576 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.672 -8.088 6.982 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.425 -7.536 6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.235 -7.214 4.816 1.00 0.00 H new ATOM 912 N VAL A 58 3.754 -11.114 6.700 1.00 0.00 N ATOM 913 CA VAL A 58 3.009 -12.389 6.893 1.00 0.00 C ATOM 914 C VAL A 58 3.874 -13.569 6.441 1.00 0.00 C ATOM 915 O VAL A 58 4.466 -14.258 7.250 1.00 0.00 O ATOM 916 CB VAL A 58 1.743 -12.318 6.050 1.00 0.00 C ATOM 917 CG1 VAL A 58 0.915 -13.582 6.203 1.00 0.00 C ATOM 918 CG2 VAL A 58 0.919 -11.112 6.490 1.00 0.00 C ATOM 0 H VAL A 58 3.504 -10.597 5.857 1.00 0.00 H new ATOM 0 HA VAL A 58 2.758 -12.531 7.944 1.00 0.00 H new ATOM 0 HB VAL A 58 2.025 -12.220 5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.017 -13.505 5.590 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.501 -14.442 5.880 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.632 -13.707 7.248 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.010 -11.054 5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.654 -11.217 7.542 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.503 -10.202 6.352 1.00 0.00 H new ATOM 928 N GLY A 59 3.967 -13.807 5.156 1.00 0.00 N ATOM 929 CA GLY A 59 4.812 -14.943 4.679 1.00 0.00 C ATOM 930 C GLY A 59 4.143 -15.700 3.519 1.00 0.00 C ATOM 931 O GLY A 59 4.256 -16.906 3.420 1.00 0.00 O ATOM 0 H GLY A 59 3.500 -13.270 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.782 -14.565 4.356 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.997 -15.631 5.504 1.00 0.00 H new ATOM 935 N ILE A 60 3.471 -15.020 2.625 1.00 0.00 N ATOM 936 CA ILE A 60 2.842 -15.741 1.476 1.00 0.00 C ATOM 937 C ILE A 60 3.836 -15.765 0.307 1.00 0.00 C ATOM 938 O ILE A 60 5.031 -15.828 0.521 1.00 0.00 O ATOM 939 CB ILE A 60 1.549 -15.045 1.060 1.00 0.00 C ATOM 940 CG1 ILE A 60 1.867 -13.623 0.621 1.00 0.00 C ATOM 941 CG2 ILE A 60 0.587 -15.009 2.247 1.00 0.00 C ATOM 942 CD1 ILE A 60 1.378 -13.410 -0.809 1.00 0.00 C ATOM 0 H ILE A 60 3.331 -14.010 2.639 1.00 0.00 H new ATOM 0 HA ILE A 60 2.597 -16.762 1.770 1.00 0.00 H new ATOM 0 HB ILE A 60 1.087 -15.589 0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 60 1.388 -12.909 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 60 2.941 -13.444 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.337 -14.512 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.365 -16.027 2.567 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.046 -14.462 3.071 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.606 -12.391 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 60 1.878 -14.115 -1.473 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.301 -13.571 -0.853 1.00 0.00 H new ATOM 954 N THR A 61 3.382 -15.726 -0.924 1.00 0.00 N ATOM 955 CA THR A 61 4.375 -15.764 -2.046 1.00 0.00 C ATOM 956 C THR A 61 3.780 -15.292 -3.397 1.00 0.00 C ATOM 957 O THR A 61 4.247 -14.319 -3.954 1.00 0.00 O ATOM 958 CB THR A 61 4.924 -17.194 -2.163 1.00 0.00 C ATOM 959 OG1 THR A 61 5.968 -17.366 -1.216 1.00 0.00 O ATOM 960 CG2 THR A 61 5.475 -17.448 -3.571 1.00 0.00 C ATOM 0 H THR A 61 2.400 -15.671 -1.196 1.00 0.00 H new ATOM 0 HA THR A 61 5.178 -15.064 -1.814 1.00 0.00 H new ATOM 0 HB THR A 61 4.116 -17.900 -1.971 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.947 -16.631 -0.569 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.859 -18.466 -3.633 1.00 0.00 H new ATOM 0 HG22 THR A 61 4.678 -17.315 -4.303 1.00 0.00 H new ATOM 0 HG23 THR A 61 6.280 -16.743 -3.779 1.00 0.00 H new ATOM 968 N PRO A 62 2.810 -16.018 -3.914 1.00 0.00 N ATOM 969 CA PRO A 62 2.197 -15.710 -5.231 1.00 0.00 C ATOM 970 C PRO A 62 1.621 -14.301 -5.332 1.00 0.00 C ATOM 971 O PRO A 62 1.128 -13.926 -6.373 1.00 0.00 O ATOM 972 CB PRO A 62 1.058 -16.715 -5.381 1.00 0.00 C ATOM 973 CG PRO A 62 1.007 -17.563 -4.099 1.00 0.00 C ATOM 974 CD PRO A 62 2.233 -17.194 -3.244 1.00 0.00 C ATOM 0 HA PRO A 62 2.960 -15.772 -6.007 1.00 0.00 H new ATOM 0 HB2 PRO A 62 0.111 -16.198 -5.535 1.00 0.00 H new ATOM 0 HB3 PRO A 62 1.221 -17.349 -6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 62 0.086 -17.370 -3.549 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.017 -18.625 -4.343 1.00 0.00 H new ATOM 0 HD2 PRO A 62 1.946 -16.965 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 62 2.948 -18.016 -3.200 1.00 0.00 H new ATOM 982 N GLN A 63 1.655 -13.521 -4.293 1.00 0.00 N ATOM 983 CA GLN A 63 1.082 -12.146 -4.389 1.00 0.00 C ATOM 984 C GLN A 63 1.437 -11.528 -5.738 1.00 0.00 C ATOM 985 O GLN A 63 0.747 -10.662 -6.232 1.00 0.00 O ATOM 986 CB GLN A 63 1.669 -11.256 -3.298 1.00 0.00 C ATOM 987 CG GLN A 63 3.195 -11.247 -3.446 1.00 0.00 C ATOM 988 CD GLN A 63 3.791 -9.836 -3.243 1.00 0.00 C ATOM 989 OE1 GLN A 63 3.019 -8.789 -3.098 1.00 0.00 O flip ATOM 990 NE2 GLN A 63 4.996 -9.687 -3.222 1.00 0.00 N flip ATOM 0 H GLN A 63 2.050 -13.769 -3.386 1.00 0.00 H new ATOM 0 HA GLN A 63 0.000 -12.219 -4.276 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.274 -10.243 -3.382 1.00 0.00 H new ATOM 0 HB3 GLN A 63 1.386 -11.628 -2.313 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.633 -11.933 -2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.465 -11.615 -4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 63 5.612 -10.493 -3.334 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.393 -8.756 -3.093 1.00 0.00 H new ATOM 999 N HIS A 64 2.524 -11.945 -6.330 1.00 0.00 N ATOM 1000 CA HIS A 64 2.917 -11.339 -7.619 1.00 0.00 C ATOM 1001 C HIS A 64 3.054 -9.841 -7.374 1.00 0.00 C ATOM 1002 O HIS A 64 3.017 -9.399 -6.243 1.00 0.00 O ATOM 1003 CB HIS A 64 1.840 -11.623 -8.666 1.00 0.00 C ATOM 1004 CG HIS A 64 2.325 -12.708 -9.586 1.00 0.00 C ATOM 1005 ND1 HIS A 64 2.645 -12.466 -10.911 1.00 0.00 N ATOM 1006 CD2 HIS A 64 2.556 -14.044 -9.380 1.00 0.00 C ATOM 1007 CE1 HIS A 64 3.048 -13.632 -11.448 1.00 0.00 C ATOM 1008 NE2 HIS A 64 3.014 -14.627 -10.557 1.00 0.00 N ATOM 0 H HIS A 64 3.146 -12.672 -5.976 1.00 0.00 H new ATOM 0 HA HIS A 64 3.855 -11.751 -7.990 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.914 -11.928 -8.180 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.619 -10.719 -9.234 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.405 -14.564 -8.446 1.00 0.00 H new ATOM 0 HE1 HIS A 64 3.361 -13.749 -12.475 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.269 -15.603 -10.707 1.00 0.00 H new ATOM 1016 N PHE A 65 3.204 -9.046 -8.387 1.00 0.00 N ATOM 1017 CA PHE A 65 3.333 -7.585 -8.126 1.00 0.00 C ATOM 1018 C PHE A 65 3.486 -6.791 -9.423 1.00 0.00 C ATOM 1019 O PHE A 65 3.869 -7.299 -10.457 1.00 0.00 O ATOM 1020 CB PHE A 65 4.534 -7.314 -7.203 1.00 0.00 C ATOM 1021 CG PHE A 65 5.839 -7.795 -7.818 1.00 0.00 C ATOM 1022 CD1 PHE A 65 5.858 -8.528 -9.016 1.00 0.00 C ATOM 1023 CD2 PHE A 65 7.046 -7.500 -7.170 1.00 0.00 C ATOM 1024 CE1 PHE A 65 7.075 -8.960 -9.555 1.00 0.00 C ATOM 1025 CE2 PHE A 65 8.262 -7.933 -7.711 1.00 0.00 C ATOM 1026 CZ PHE A 65 8.277 -8.664 -8.903 1.00 0.00 C ATOM 0 H PHE A 65 3.243 -9.331 -9.366 1.00 0.00 H new ATOM 0 HA PHE A 65 2.416 -7.256 -7.637 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.601 -6.246 -6.998 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.377 -7.813 -6.247 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.932 -8.759 -9.522 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.038 -6.936 -6.249 1.00 0.00 H new ATOM 0 HE1 PHE A 65 7.086 -9.523 -10.476 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.189 -7.702 -7.208 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.215 -9.000 -9.320 1.00 0.00 H new ATOM 1036 N SER A 66 3.180 -5.527 -9.350 1.00 0.00 N ATOM 1037 CA SER A 66 3.289 -4.639 -10.536 1.00 0.00 C ATOM 1038 C SER A 66 3.437 -3.205 -10.031 1.00 0.00 C ATOM 1039 O SER A 66 2.917 -2.859 -8.995 1.00 0.00 O ATOM 1040 CB SER A 66 2.025 -4.759 -11.383 1.00 0.00 C ATOM 1041 OG SER A 66 2.386 -4.969 -12.741 1.00 0.00 O ATOM 0 H SER A 66 2.853 -5.065 -8.502 1.00 0.00 H new ATOM 0 HA SER A 66 4.147 -4.919 -11.148 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.412 -5.586 -11.026 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.424 -3.854 -11.290 1.00 0.00 H new ATOM 0 HG SER A 66 1.576 -5.048 -13.286 1.00 0.00 H new ATOM 1047 N LEU A 67 4.147 -2.371 -10.733 1.00 0.00 N ATOM 1048 CA LEU A 67 4.324 -0.968 -10.255 1.00 0.00 C ATOM 1049 C LEU A 67 2.998 -0.211 -10.377 1.00 0.00 C ATOM 1050 O LEU A 67 2.402 0.157 -9.394 1.00 0.00 O ATOM 1051 CB LEU A 67 5.405 -0.274 -11.098 1.00 0.00 C ATOM 1052 CG LEU A 67 6.194 0.739 -10.253 1.00 0.00 C ATOM 1053 CD1 LEU A 67 5.374 2.017 -10.094 1.00 0.00 C ATOM 1054 CD2 LEU A 67 6.498 0.162 -8.870 1.00 0.00 C ATOM 0 H LEU A 67 4.612 -2.595 -11.613 1.00 0.00 H new ATOM 0 HA LEU A 67 4.633 -0.975 -9.210 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.086 -1.020 -11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.942 0.234 -11.944 1.00 0.00 H new ATOM 0 HG LEU A 67 7.134 0.959 -10.759 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.933 2.736 -9.495 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.171 2.444 -11.076 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.432 1.785 -9.597 1.00 0.00 H new ATOM 0 HD21 LEU A 67 7.057 0.893 -8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.564 -0.072 -8.360 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.090 -0.747 -8.977 1.00 0.00 H new ATOM 1066 N PHE A 68 2.553 0.023 -11.577 1.00 0.00 N ATOM 1067 CA PHE A 68 1.274 0.756 -11.809 1.00 0.00 C ATOM 1068 C PHE A 68 1.536 2.267 -11.719 1.00 0.00 C ATOM 1069 O PHE A 68 1.204 3.005 -12.624 1.00 0.00 O ATOM 1070 CB PHE A 68 0.197 0.285 -10.797 1.00 0.00 C ATOM 1071 CG PHE A 68 -0.439 1.457 -10.081 1.00 0.00 C ATOM 1072 CD1 PHE A 68 -1.439 2.200 -10.717 1.00 0.00 C ATOM 1073 CD2 PHE A 68 -0.030 1.799 -8.786 1.00 0.00 C ATOM 1074 CE1 PHE A 68 -2.032 3.282 -10.061 1.00 0.00 C ATOM 1075 CE2 PHE A 68 -0.624 2.883 -8.129 1.00 0.00 C ATOM 1076 CZ PHE A 68 -1.625 3.625 -8.767 1.00 0.00 C ATOM 0 H PHE A 68 3.032 -0.269 -12.429 1.00 0.00 H new ATOM 0 HA PHE A 68 0.891 0.539 -12.806 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.572 -0.284 -11.320 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.650 -0.386 -10.068 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.753 1.937 -11.716 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.743 1.227 -8.295 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.805 3.854 -10.553 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.310 3.147 -7.130 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.083 4.462 -8.261 1.00 0.00 H new ATOM 1086 N GLU A 69 2.148 2.717 -10.649 1.00 0.00 N ATOM 1087 CA GLU A 69 2.461 4.177 -10.490 1.00 0.00 C ATOM 1088 C GLU A 69 2.469 4.547 -9.006 1.00 0.00 C ATOM 1089 O GLU A 69 1.574 4.199 -8.266 1.00 0.00 O ATOM 1090 CB GLU A 69 1.407 5.039 -11.195 1.00 0.00 C ATOM 1091 CG GLU A 69 1.930 5.465 -12.569 1.00 0.00 C ATOM 1092 CD GLU A 69 2.801 6.715 -12.420 1.00 0.00 C ATOM 1093 OE1 GLU A 69 3.183 7.018 -11.301 1.00 0.00 O ATOM 1094 OE2 GLU A 69 3.072 7.345 -13.428 1.00 0.00 O ATOM 0 H GLU A 69 2.448 2.130 -9.870 1.00 0.00 H new ATOM 0 HA GLU A 69 3.439 4.362 -10.934 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.479 4.479 -11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.179 5.918 -10.593 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.509 4.657 -13.016 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.096 5.668 -13.240 1.00 0.00 H new ATOM 1101 N LYS A 70 3.468 5.265 -8.567 1.00 0.00 N ATOM 1102 CA LYS A 70 3.520 5.668 -7.129 1.00 0.00 C ATOM 1103 C LYS A 70 3.594 7.188 -7.033 1.00 0.00 C ATOM 1104 O LYS A 70 3.301 7.898 -7.975 1.00 0.00 O ATOM 1105 CB LYS A 70 4.753 5.072 -6.436 1.00 0.00 C ATOM 1106 CG LYS A 70 5.622 4.319 -7.445 1.00 0.00 C ATOM 1107 CD LYS A 70 6.475 5.321 -8.226 1.00 0.00 C ATOM 1108 CE LYS A 70 7.754 5.621 -7.444 1.00 0.00 C ATOM 1109 NZ LYS A 70 8.688 6.405 -8.301 1.00 0.00 N ATOM 0 H LYS A 70 4.248 5.590 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 70 2.622 5.295 -6.637 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.334 5.867 -5.968 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.439 4.396 -5.641 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.262 3.604 -6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.994 3.748 -8.129 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.723 4.917 -9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.914 6.240 -8.392 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.517 6.181 -6.539 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.227 4.691 -7.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.558 6.609 -7.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.923 5.855 -9.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.235 7.299 -8.581 1.00 0.00 H new ATOM 1123 N LEU A 71 3.989 7.695 -5.897 1.00 0.00 N ATOM 1124 CA LEU A 71 4.088 9.169 -5.740 1.00 0.00 C ATOM 1125 C LEU A 71 5.260 9.516 -4.824 1.00 0.00 C ATOM 1126 O LEU A 71 5.903 8.656 -4.253 1.00 0.00 O ATOM 1127 CB LEU A 71 2.794 9.713 -5.124 1.00 0.00 C ATOM 1128 CG LEU A 71 2.350 8.827 -3.951 1.00 0.00 C ATOM 1129 CD1 LEU A 71 3.443 8.787 -2.875 1.00 0.00 C ATOM 1130 CD2 LEU A 71 1.068 9.401 -3.341 1.00 0.00 C ATOM 0 H LEU A 71 4.247 7.151 -5.073 1.00 0.00 H new ATOM 0 HA LEU A 71 4.245 9.618 -6.721 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.949 10.735 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.010 9.748 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 71 2.171 7.816 -4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.117 8.156 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.360 8.380 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.630 9.796 -2.509 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.749 8.775 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.257 10.413 -2.983 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.284 9.424 -4.098 1.00 0.00 H new ATOM 1142 N GLU A 72 5.516 10.779 -4.666 1.00 0.00 N ATOM 1143 CA GLU A 72 6.616 11.227 -3.775 1.00 0.00 C ATOM 1144 C GLU A 72 6.198 12.569 -3.183 1.00 0.00 C ATOM 1145 O GLU A 72 6.558 13.618 -3.677 1.00 0.00 O ATOM 1146 CB GLU A 72 7.909 11.387 -4.577 1.00 0.00 C ATOM 1147 CG GLU A 72 9.109 11.361 -3.625 1.00 0.00 C ATOM 1148 CD GLU A 72 10.398 11.567 -4.423 1.00 0.00 C ATOM 1149 OE1 GLU A 72 10.305 11.751 -5.626 1.00 0.00 O ATOM 1150 OE2 GLU A 72 11.457 11.539 -3.818 1.00 0.00 O ATOM 0 H GLU A 72 5.002 11.532 -5.123 1.00 0.00 H new ATOM 0 HA GLU A 72 6.798 10.496 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.996 10.585 -5.310 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.892 12.325 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.006 12.142 -2.872 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.145 10.410 -3.094 1.00 0.00 H new ATOM 1157 N TYR A 73 5.422 12.542 -2.135 1.00 0.00 N ATOM 1158 CA TYR A 73 4.964 13.813 -1.522 1.00 0.00 C ATOM 1159 C TYR A 73 6.013 14.283 -0.530 1.00 0.00 C ATOM 1160 O TYR A 73 6.411 13.554 0.358 1.00 0.00 O ATOM 1161 CB TYR A 73 3.628 13.589 -0.802 1.00 0.00 C ATOM 1162 CG TYR A 73 2.603 14.568 -1.326 1.00 0.00 C ATOM 1163 CD1 TYR A 73 2.477 15.833 -0.741 1.00 0.00 C ATOM 1164 CD2 TYR A 73 1.779 14.207 -2.398 1.00 0.00 C ATOM 1165 CE1 TYR A 73 1.525 16.739 -1.229 1.00 0.00 C ATOM 1166 CE2 TYR A 73 0.827 15.112 -2.886 1.00 0.00 C ATOM 1167 CZ TYR A 73 0.700 16.378 -2.302 1.00 0.00 C ATOM 1168 OH TYR A 73 -0.239 17.269 -2.783 1.00 0.00 O ATOM 0 H TYR A 73 5.087 11.693 -1.679 1.00 0.00 H new ATOM 0 HA TYR A 73 4.824 14.568 -2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 73 3.284 12.567 -0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.755 13.720 0.273 1.00 0.00 H new ATOM 0 HD1 TYR A 73 3.113 16.111 0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.877 13.231 -2.849 1.00 0.00 H new ATOM 0 HE1 TYR A 73 1.428 17.715 -0.778 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.191 14.833 -3.713 1.00 0.00 H new ATOM 0 HH TYR A 73 -0.726 16.860 -3.529 1.00 0.00 H new ATOM 1178 N GLU A 74 6.469 15.489 -0.666 1.00 0.00 N ATOM 1179 CA GLU A 74 7.490 15.987 0.277 1.00 0.00 C ATOM 1180 C GLU A 74 6.783 16.721 1.409 1.00 0.00 C ATOM 1181 O GLU A 74 5.641 17.120 1.281 1.00 0.00 O ATOM 1182 CB GLU A 74 8.442 16.941 -0.448 1.00 0.00 C ATOM 1183 CG GLU A 74 9.884 16.645 -0.025 1.00 0.00 C ATOM 1184 CD GLU A 74 10.562 17.941 0.421 1.00 0.00 C ATOM 1185 OE1 GLU A 74 10.983 18.693 -0.442 1.00 0.00 O ATOM 1186 OE2 GLU A 74 10.647 18.162 1.618 1.00 0.00 O ATOM 0 H GLU A 74 6.179 16.149 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 74 8.069 15.154 0.677 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.337 16.825 -1.527 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.188 17.974 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.894 15.919 0.788 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.434 16.202 -0.855 1.00 0.00 H new ATOM 1193 N PHE A 75 7.436 16.899 2.514 1.00 0.00 N ATOM 1194 CA PHE A 75 6.779 17.601 3.643 1.00 0.00 C ATOM 1195 C PHE A 75 7.691 18.727 4.138 1.00 0.00 C ATOM 1196 O PHE A 75 8.839 18.805 3.748 1.00 0.00 O ATOM 1197 CB PHE A 75 6.530 16.597 4.772 1.00 0.00 C ATOM 1198 CG PHE A 75 5.105 16.100 4.698 1.00 0.00 C ATOM 1199 CD1 PHE A 75 4.707 15.279 3.635 1.00 0.00 C ATOM 1200 CD2 PHE A 75 4.183 16.456 5.690 1.00 0.00 C ATOM 1201 CE1 PHE A 75 3.388 14.816 3.565 1.00 0.00 C ATOM 1202 CE2 PHE A 75 2.864 15.994 5.619 1.00 0.00 C ATOM 1203 CZ PHE A 75 2.465 15.173 4.556 1.00 0.00 C ATOM 0 H PHE A 75 8.393 16.591 2.686 1.00 0.00 H new ATOM 0 HA PHE A 75 5.830 18.028 3.319 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.223 15.760 4.688 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.713 17.067 5.738 1.00 0.00 H new ATOM 0 HD1 PHE A 75 5.418 15.003 2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.490 17.088 6.510 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.082 14.183 2.746 1.00 0.00 H new ATOM 0 HE2 PHE A 75 2.153 16.270 6.384 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.447 14.816 4.501 1.00 0.00 H new ATOM 1213 N PRO A 76 7.159 19.561 4.996 1.00 0.00 N ATOM 1214 CA PRO A 76 7.920 20.683 5.571 1.00 0.00 C ATOM 1215 C PRO A 76 9.268 20.180 6.088 1.00 0.00 C ATOM 1216 O PRO A 76 10.222 20.921 6.214 1.00 0.00 O ATOM 1217 CB PRO A 76 7.041 21.191 6.721 1.00 0.00 C ATOM 1218 CG PRO A 76 5.684 20.442 6.642 1.00 0.00 C ATOM 1219 CD PRO A 76 5.767 19.453 5.470 1.00 0.00 C ATOM 0 HA PRO A 76 8.136 21.470 4.848 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.524 21.008 7.681 1.00 0.00 H new ATOM 0 HB3 PRO A 76 6.889 22.267 6.640 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.483 19.915 7.574 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.866 21.146 6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 76 5.534 18.437 5.790 1.00 0.00 H new ATOM 0 HD3 PRO A 76 5.058 19.710 4.683 1.00 0.00 H new ATOM 1227 N ASP A 77 9.339 18.914 6.380 1.00 0.00 N ATOM 1228 CA ASP A 77 10.602 18.313 6.884 1.00 0.00 C ATOM 1229 C ASP A 77 10.418 16.800 6.884 1.00 0.00 C ATOM 1230 O ASP A 77 10.778 16.114 7.819 1.00 0.00 O ATOM 1231 CB ASP A 77 10.872 18.802 8.307 1.00 0.00 C ATOM 1232 CG ASP A 77 12.222 19.519 8.354 1.00 0.00 C ATOM 1233 OD1 ASP A 77 12.726 19.863 7.298 1.00 0.00 O ATOM 1234 OD2 ASP A 77 12.730 19.712 9.447 1.00 0.00 O ATOM 0 H ASP A 77 8.562 18.259 6.289 1.00 0.00 H new ATOM 0 HA ASP A 77 11.445 18.598 6.255 1.00 0.00 H new ATOM 0 HB2 ASP A 77 10.079 19.477 8.627 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.872 17.959 8.998 1.00 0.00 H new ATOM 1239 N ARG A 78 9.824 16.286 5.844 1.00 0.00 N ATOM 1240 CA ARG A 78 9.569 14.826 5.773 1.00 0.00 C ATOM 1241 C ARG A 78 9.503 14.387 4.305 1.00 0.00 C ATOM 1242 O ARG A 78 8.448 14.370 3.702 1.00 0.00 O ATOM 1243 CB ARG A 78 8.223 14.544 6.449 1.00 0.00 C ATOM 1244 CG ARG A 78 8.408 13.512 7.564 1.00 0.00 C ATOM 1245 CD ARG A 78 7.358 12.408 7.417 1.00 0.00 C ATOM 1246 NE ARG A 78 7.239 11.650 8.697 1.00 0.00 N ATOM 1247 CZ ARG A 78 8.300 11.416 9.423 1.00 0.00 C ATOM 1248 NH1 ARG A 78 9.454 11.216 8.848 1.00 0.00 N ATOM 1249 NH2 ARG A 78 8.204 11.379 10.725 1.00 0.00 N ATOM 0 H ARG A 78 9.503 16.820 5.036 1.00 0.00 H new ATOM 0 HA ARG A 78 10.368 14.278 6.272 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.812 15.466 6.859 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.507 14.175 5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.410 13.085 7.516 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.313 13.992 8.538 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.395 12.843 7.150 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.638 11.733 6.608 1.00 0.00 H new ATOM 0 HE ARG A 78 6.327 11.314 9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.528 11.242 7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.282 11.033 9.415 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.301 11.533 11.174 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.032 11.196 11.292 1.00 0.00 H new ATOM 1263 N HIS A 79 10.615 14.013 3.729 1.00 0.00 N ATOM 1264 CA HIS A 79 10.600 13.559 2.313 1.00 0.00 C ATOM 1265 C HIS A 79 10.127 12.109 2.285 1.00 0.00 C ATOM 1266 O HIS A 79 10.878 11.202 2.581 1.00 0.00 O ATOM 1267 CB HIS A 79 12.013 13.648 1.739 1.00 0.00 C ATOM 1268 CG HIS A 79 11.951 13.586 0.241 1.00 0.00 C ATOM 1269 ND1 HIS A 79 13.022 13.955 -0.555 1.00 0.00 N ATOM 1270 CD2 HIS A 79 10.956 13.201 -0.620 1.00 0.00 C ATOM 1271 CE1 HIS A 79 12.650 13.787 -1.836 1.00 0.00 C ATOM 1272 NE2 HIS A 79 11.400 13.329 -1.934 1.00 0.00 N ATOM 0 H HIS A 79 11.530 14.003 4.179 1.00 0.00 H new ATOM 0 HA HIS A 79 9.934 14.184 1.718 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.487 14.577 2.056 1.00 0.00 H new ATOM 0 HB3 HIS A 79 12.624 12.831 2.122 1.00 0.00 H new ATOM 0 HD1 HIS A 79 13.928 14.293 -0.229 1.00 0.00 H new ATOM 0 HD2 HIS A 79 9.978 12.852 -0.325 1.00 0.00 H new ATOM 0 HE1 HIS A 79 13.286 13.997 -2.683 1.00 0.00 H new ATOM 1280 N ILE A 80 8.884 11.873 1.968 1.00 0.00 N ATOM 1281 CA ILE A 80 8.398 10.469 1.973 1.00 0.00 C ATOM 1282 C ILE A 80 7.984 9.999 0.582 1.00 0.00 C ATOM 1283 O ILE A 80 7.424 10.733 -0.209 1.00 0.00 O ATOM 1284 CB ILE A 80 7.188 10.332 2.899 1.00 0.00 C ATOM 1285 CG1 ILE A 80 7.442 10.961 4.289 1.00 0.00 C ATOM 1286 CG2 ILE A 80 6.881 8.848 3.061 1.00 0.00 C ATOM 1287 CD1 ILE A 80 8.940 11.069 4.615 1.00 0.00 C ATOM 0 H ILE A 80 8.195 12.580 1.710 1.00 0.00 H new ATOM 0 HA ILE A 80 9.226 9.852 2.322 1.00 0.00 H new ATOM 0 HB ILE A 80 6.348 10.864 2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 80 6.992 11.953 4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 80 6.948 10.360 5.053 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.020 8.724 3.718 1.00 0.00 H new ATOM 0 HG22 ILE A 80 6.659 8.414 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.744 8.343 3.495 1.00 0.00 H new ATOM 0 HD11 ILE A 80 9.066 11.517 5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 80 9.387 10.075 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.431 11.692 3.868 1.00 0.00 H new ATOM 1299 N THR A 81 8.235 8.750 0.309 1.00 0.00 N ATOM 1300 CA THR A 81 7.848 8.150 -0.994 1.00 0.00 C ATOM 1301 C THR A 81 6.874 7.002 -0.712 1.00 0.00 C ATOM 1302 O THR A 81 6.741 6.563 0.414 1.00 0.00 O ATOM 1303 CB THR A 81 9.093 7.595 -1.686 1.00 0.00 C ATOM 1304 OG1 THR A 81 10.200 8.443 -1.415 1.00 0.00 O ATOM 1305 CG2 THR A 81 8.856 7.524 -3.195 1.00 0.00 C ATOM 0 H THR A 81 8.702 8.108 0.949 1.00 0.00 H new ATOM 0 HA THR A 81 7.384 8.899 -1.637 1.00 0.00 H new ATOM 0 HB THR A 81 9.301 6.594 -1.310 1.00 0.00 H new ATOM 0 HG1 THR A 81 10.900 8.291 -2.084 1.00 0.00 H new ATOM 0 HG21 THR A 81 9.746 7.128 -3.685 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.008 6.871 -3.400 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.645 8.523 -3.578 1.00 0.00 H new ATOM 1313 N LEU A 82 6.193 6.506 -1.705 1.00 0.00 N ATOM 1314 CA LEU A 82 5.244 5.385 -1.446 1.00 0.00 C ATOM 1315 C LEU A 82 5.099 4.520 -2.699 1.00 0.00 C ATOM 1316 O LEU A 82 4.109 4.587 -3.401 1.00 0.00 O ATOM 1317 CB LEU A 82 3.878 5.952 -1.050 1.00 0.00 C ATOM 1318 CG LEU A 82 3.274 5.093 0.062 1.00 0.00 C ATOM 1319 CD1 LEU A 82 3.282 5.873 1.378 1.00 0.00 C ATOM 1320 CD2 LEU A 82 1.833 4.730 -0.303 1.00 0.00 C ATOM 0 H LEU A 82 6.249 6.822 -2.673 1.00 0.00 H new ATOM 0 HA LEU A 82 5.632 4.770 -0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.984 6.983 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.214 5.967 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 82 3.864 4.184 0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.851 5.258 2.168 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.307 6.134 1.640 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.693 6.783 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.400 4.118 0.488 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.246 5.641 -0.418 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.824 4.172 -1.239 1.00 0.00 H new ATOM 1332 N TRP A 83 6.075 3.696 -2.983 1.00 0.00 N ATOM 1333 CA TRP A 83 5.974 2.822 -4.192 1.00 0.00 C ATOM 1334 C TRP A 83 4.637 2.074 -4.161 1.00 0.00 C ATOM 1335 O TRP A 83 4.294 1.450 -3.181 1.00 0.00 O ATOM 1336 CB TRP A 83 7.120 1.808 -4.190 1.00 0.00 C ATOM 1337 CG TRP A 83 8.430 2.527 -4.228 1.00 0.00 C ATOM 1338 CD1 TRP A 83 9.056 3.054 -3.153 1.00 0.00 C ATOM 1339 CD2 TRP A 83 9.283 2.806 -5.376 1.00 0.00 C ATOM 1340 NE1 TRP A 83 10.242 3.633 -3.565 1.00 0.00 N ATOM 1341 CE2 TRP A 83 10.426 3.508 -4.926 1.00 0.00 C ATOM 1342 CE3 TRP A 83 9.181 2.520 -6.750 1.00 0.00 C ATOM 1343 CZ2 TRP A 83 11.431 3.913 -5.804 1.00 0.00 C ATOM 1344 CZ3 TRP A 83 10.191 2.927 -7.639 1.00 0.00 C ATOM 1345 CH2 TRP A 83 11.314 3.623 -7.165 1.00 0.00 C ATOM 0 H TRP A 83 6.930 3.590 -2.437 1.00 0.00 H new ATOM 0 HA TRP A 83 6.035 3.435 -5.091 1.00 0.00 H new ATOM 0 HB2 TRP A 83 7.063 1.183 -3.299 1.00 0.00 H new ATOM 0 HB3 TRP A 83 7.033 1.145 -5.051 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.690 3.027 -2.137 1.00 0.00 H new ATOM 0 HE1 TRP A 83 10.901 4.096 -2.939 1.00 0.00 H new ATOM 0 HE3 TRP A 83 8.321 1.984 -7.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 12.294 4.447 -5.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 10.102 2.703 -8.692 1.00 0.00 H new ATOM 0 HH2 TRP A 83 12.087 3.934 -7.852 1.00 0.00 H new ATOM 1356 N PHE A 84 3.879 2.130 -5.223 1.00 0.00 N ATOM 1357 CA PHE A 84 2.564 1.423 -5.236 1.00 0.00 C ATOM 1358 C PHE A 84 2.674 0.144 -6.058 1.00 0.00 C ATOM 1359 O PHE A 84 2.204 0.077 -7.168 1.00 0.00 O ATOM 1360 CB PHE A 84 1.507 2.321 -5.876 1.00 0.00 C ATOM 1361 CG PHE A 84 0.931 3.250 -4.835 1.00 0.00 C ATOM 1362 CD1 PHE A 84 1.622 4.413 -4.473 1.00 0.00 C ATOM 1363 CD2 PHE A 84 -0.299 2.951 -4.238 1.00 0.00 C ATOM 1364 CE1 PHE A 84 1.082 5.279 -3.515 1.00 0.00 C ATOM 1365 CE2 PHE A 84 -0.839 3.819 -3.281 1.00 0.00 C ATOM 1366 CZ PHE A 84 -0.149 4.982 -2.920 1.00 0.00 C ATOM 0 H PHE A 84 4.112 2.633 -6.080 1.00 0.00 H new ATOM 0 HA PHE A 84 2.282 1.183 -4.211 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.950 2.898 -6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 84 0.715 1.713 -6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.572 4.642 -4.933 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.831 2.053 -4.515 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.615 6.176 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.789 3.591 -2.821 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.567 5.650 -2.182 1.00 0.00 H new ATOM 1376 N TRP A 85 3.272 -0.877 -5.522 1.00 0.00 N ATOM 1377 CA TRP A 85 3.386 -2.145 -6.291 1.00 0.00 C ATOM 1378 C TRP A 85 2.051 -2.890 -6.234 1.00 0.00 C ATOM 1379 O TRP A 85 1.800 -3.660 -5.326 1.00 0.00 O ATOM 1380 CB TRP A 85 4.495 -3.013 -5.689 1.00 0.00 C ATOM 1381 CG TRP A 85 5.817 -2.548 -6.210 1.00 0.00 C ATOM 1382 CD1 TRP A 85 6.526 -1.509 -5.711 1.00 0.00 C ATOM 1383 CD2 TRP A 85 6.592 -3.078 -7.323 1.00 0.00 C ATOM 1384 NE1 TRP A 85 7.688 -1.369 -6.447 1.00 0.00 N ATOM 1385 CE2 TRP A 85 7.775 -2.313 -7.452 1.00 0.00 C ATOM 1386 CE3 TRP A 85 6.387 -4.138 -8.225 1.00 0.00 C ATOM 1387 CZ2 TRP A 85 8.720 -2.589 -8.441 1.00 0.00 C ATOM 1388 CZ3 TRP A 85 7.337 -4.419 -9.221 1.00 0.00 C ATOM 1389 CH2 TRP A 85 8.501 -3.645 -9.327 1.00 0.00 C ATOM 0 H TRP A 85 3.686 -0.891 -4.590 1.00 0.00 H new ATOM 0 HA TRP A 85 3.633 -1.924 -7.330 1.00 0.00 H new ATOM 0 HB2 TRP A 85 4.475 -2.947 -4.601 1.00 0.00 H new ATOM 0 HB3 TRP A 85 4.336 -4.060 -5.948 1.00 0.00 H new ATOM 0 HD1 TRP A 85 6.232 -0.891 -4.875 1.00 0.00 H new ATOM 0 HE1 TRP A 85 8.395 -0.656 -6.270 1.00 0.00 H new ATOM 0 HE3 TRP A 85 5.493 -4.740 -8.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 9.615 -1.990 -8.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 7.170 -5.235 -9.908 1.00 0.00 H new ATOM 0 HH2 TRP A 85 9.228 -3.866 -10.094 1.00 0.00 H new ATOM 1400 N LEU A 86 1.181 -2.665 -7.186 1.00 0.00 N ATOM 1401 CA LEU A 86 -0.135 -3.366 -7.158 1.00 0.00 C ATOM 1402 C LEU A 86 0.056 -4.843 -7.496 1.00 0.00 C ATOM 1403 O LEU A 86 0.706 -5.196 -8.459 1.00 0.00 O ATOM 1404 CB LEU A 86 -1.091 -2.740 -8.180 1.00 0.00 C ATOM 1405 CG LEU A 86 -1.945 -1.656 -7.515 1.00 0.00 C ATOM 1406 CD1 LEU A 86 -2.522 -2.178 -6.197 1.00 0.00 C ATOM 1407 CD2 LEU A 86 -1.077 -0.425 -7.244 1.00 0.00 C ATOM 0 H LEU A 86 1.324 -2.032 -7.973 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.558 -3.268 -6.158 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.522 -2.310 -9.004 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.735 -3.510 -8.605 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.767 -1.387 -8.179 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -3.128 -1.400 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -3.142 -3.053 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.708 -2.453 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.681 0.349 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.254 -0.698 -6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -0.676 -0.048 -8.185 1.00 0.00 H new ATOM 1419 N VAL A 87 -0.519 -5.707 -6.708 1.00 0.00 N ATOM 1420 CA VAL A 87 -0.392 -7.170 -6.973 1.00 0.00 C ATOM 1421 C VAL A 87 -1.801 -7.727 -7.245 1.00 0.00 C ATOM 1422 O VAL A 87 -2.757 -6.979 -7.267 1.00 0.00 O ATOM 1423 CB VAL A 87 0.280 -7.857 -5.762 1.00 0.00 C ATOM 1424 CG1 VAL A 87 1.080 -6.825 -4.953 1.00 0.00 C ATOM 1425 CG2 VAL A 87 -0.769 -8.502 -4.848 1.00 0.00 C ATOM 0 H VAL A 87 -1.074 -5.464 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 87 0.236 -7.363 -7.843 1.00 0.00 H new ATOM 0 HB VAL A 87 0.946 -8.632 -6.140 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.551 -7.316 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.848 -6.382 -5.587 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.409 -6.043 -4.596 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -0.272 -8.979 -4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -1.453 -7.736 -4.481 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -1.329 -9.250 -5.409 1.00 0.00 H new ATOM 1435 N GLU A 88 -1.962 -9.010 -7.476 1.00 0.00 N ATOM 1436 CA GLU A 88 -3.347 -9.498 -7.765 1.00 0.00 C ATOM 1437 C GLU A 88 -3.534 -11.002 -7.495 1.00 0.00 C ATOM 1438 O GLU A 88 -4.601 -11.528 -7.740 1.00 0.00 O ATOM 1439 CB GLU A 88 -3.663 -9.231 -9.239 1.00 0.00 C ATOM 1440 CG GLU A 88 -3.884 -7.733 -9.467 1.00 0.00 C ATOM 1441 CD GLU A 88 -4.380 -7.509 -10.897 1.00 0.00 C ATOM 1442 OE1 GLU A 88 -3.554 -7.506 -11.795 1.00 0.00 O ATOM 1443 OE2 GLU A 88 -5.577 -7.345 -11.069 1.00 0.00 O ATOM 0 H GLU A 88 -1.225 -9.715 -7.478 1.00 0.00 H new ATOM 0 HA GLU A 88 -4.020 -8.962 -7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.843 -9.585 -9.865 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -4.553 -9.787 -9.535 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -4.612 -7.348 -8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.955 -7.187 -9.302 1.00 0.00 H new ATOM 1450 N ARG A 89 -2.555 -11.721 -7.011 1.00 0.00 N ATOM 1451 CA ARG A 89 -2.807 -13.180 -6.782 1.00 0.00 C ATOM 1452 C ARG A 89 -1.946 -13.732 -5.641 1.00 0.00 C ATOM 1453 O ARG A 89 -1.066 -14.541 -5.844 1.00 0.00 O ATOM 1454 CB ARG A 89 -2.522 -13.958 -8.074 1.00 0.00 C ATOM 1455 CG ARG A 89 -1.013 -14.068 -8.295 1.00 0.00 C ATOM 1456 CD ARG A 89 -0.587 -15.533 -8.189 1.00 0.00 C ATOM 1457 NE ARG A 89 -0.809 -16.208 -9.498 1.00 0.00 N ATOM 1458 CZ ARG A 89 -0.251 -17.363 -9.740 1.00 0.00 C ATOM 1459 NH1 ARG A 89 1.048 -17.480 -9.701 1.00 0.00 N ATOM 1460 NH2 ARG A 89 -0.993 -18.401 -10.022 1.00 0.00 N ATOM 0 H ARG A 89 -1.624 -11.381 -6.771 1.00 0.00 H new ATOM 0 HA ARG A 89 -3.852 -13.302 -6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.963 -14.953 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.986 -13.454 -8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.749 -13.671 -9.275 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.482 -13.469 -7.555 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.464 -15.598 -7.907 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.158 -16.034 -7.407 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.397 -15.768 -10.205 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.627 -16.669 -9.481 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.485 -18.382 -9.890 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.008 -18.309 -10.053 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.557 -19.303 -10.211 1.00 0.00 H new ATOM 1474 N TRP A 90 -2.205 -13.330 -4.434 1.00 0.00 N ATOM 1475 CA TRP A 90 -1.406 -13.870 -3.301 1.00 0.00 C ATOM 1476 C TRP A 90 -1.944 -15.250 -2.912 1.00 0.00 C ATOM 1477 O TRP A 90 -3.008 -15.651 -3.339 1.00 0.00 O ATOM 1478 CB TRP A 90 -1.522 -12.942 -2.102 1.00 0.00 C ATOM 1479 CG TRP A 90 -2.935 -12.935 -1.616 1.00 0.00 C ATOM 1480 CD1 TRP A 90 -3.525 -13.946 -0.940 1.00 0.00 C ATOM 1481 CD2 TRP A 90 -3.945 -11.893 -1.757 1.00 0.00 C ATOM 1482 NE1 TRP A 90 -4.831 -13.592 -0.656 1.00 0.00 N ATOM 1483 CE2 TRP A 90 -5.137 -12.337 -1.139 1.00 0.00 C ATOM 1484 CE3 TRP A 90 -3.944 -10.618 -2.354 1.00 0.00 C ATOM 1485 CZ2 TRP A 90 -6.286 -11.548 -1.114 1.00 0.00 C ATOM 1486 CZ3 TRP A 90 -5.101 -9.822 -2.330 1.00 0.00 C ATOM 1487 CH2 TRP A 90 -6.267 -10.286 -1.711 1.00 0.00 C ATOM 0 H TRP A 90 -2.928 -12.657 -4.181 1.00 0.00 H new ATOM 0 HA TRP A 90 -0.362 -13.948 -3.605 1.00 0.00 H new ATOM 0 HB2 TRP A 90 -0.854 -13.272 -1.307 1.00 0.00 H new ATOM 0 HB3 TRP A 90 -1.215 -11.933 -2.378 1.00 0.00 H new ATOM 0 HD1 TRP A 90 -3.053 -14.878 -0.666 1.00 0.00 H new ATOM 0 HE1 TRP A 90 -5.488 -14.187 -0.151 1.00 0.00 H new ATOM 0 HE3 TRP A 90 -3.049 -10.250 -2.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 -7.184 -11.910 -0.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 -5.091 -8.846 -2.792 1.00 0.00 H new ATOM 0 HH2 TRP A 90 -7.152 -9.668 -1.695 1.00 0.00 H new ATOM 1498 N GLU A 91 -1.222 -15.980 -2.102 1.00 0.00 N ATOM 1499 CA GLU A 91 -1.709 -17.329 -1.690 1.00 0.00 C ATOM 1500 C GLU A 91 -2.502 -17.208 -0.380 1.00 0.00 C ATOM 1501 O GLU A 91 -2.170 -16.427 0.488 1.00 0.00 O ATOM 1502 CB GLU A 91 -0.503 -18.281 -1.523 1.00 0.00 C ATOM 1503 CG GLU A 91 -0.333 -18.734 -0.065 1.00 0.00 C ATOM 1504 CD GLU A 91 0.688 -19.873 -0.003 1.00 0.00 C ATOM 1505 OE1 GLU A 91 0.621 -20.748 -0.851 1.00 0.00 O ATOM 1506 OE2 GLU A 91 1.518 -19.849 0.890 1.00 0.00 O ATOM 0 H GLU A 91 -0.322 -15.702 -1.710 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.369 -17.739 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -0.638 -19.154 -2.162 1.00 0.00 H new ATOM 0 HB3 GLU A 91 0.405 -17.779 -1.856 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -0.000 -17.898 0.551 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.290 -19.066 0.338 1.00 0.00 H new ATOM 1513 N GLY A 92 -3.537 -17.993 -0.235 1.00 0.00 N ATOM 1514 CA GLY A 92 -4.353 -17.952 1.013 1.00 0.00 C ATOM 1515 C GLY A 92 -4.538 -16.510 1.493 1.00 0.00 C ATOM 1516 O GLY A 92 -5.476 -15.834 1.115 1.00 0.00 O ATOM 0 H GLY A 92 -3.854 -18.666 -0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -5.326 -18.408 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.866 -18.540 1.791 1.00 0.00 H new ATOM 1520 N GLU A 93 -3.657 -16.036 2.332 1.00 0.00 N ATOM 1521 CA GLU A 93 -3.782 -14.645 2.850 1.00 0.00 C ATOM 1522 C GLU A 93 -2.717 -13.754 2.204 1.00 0.00 C ATOM 1523 O GLU A 93 -1.746 -14.244 1.671 1.00 0.00 O ATOM 1524 CB GLU A 93 -3.582 -14.654 4.368 1.00 0.00 C ATOM 1525 CG GLU A 93 -2.127 -15.006 4.687 1.00 0.00 C ATOM 1526 CD GLU A 93 -1.863 -14.801 6.179 1.00 0.00 C ATOM 1527 OE1 GLU A 93 -2.403 -13.857 6.733 1.00 0.00 O ATOM 1528 OE2 GLU A 93 -1.125 -15.591 6.745 1.00 0.00 O ATOM 0 H GLU A 93 -2.852 -16.556 2.682 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.771 -14.256 2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.831 -13.678 4.785 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.253 -15.378 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.924 -16.041 4.411 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.454 -14.381 4.099 1.00 0.00 H new ATOM 1535 N PRO A 94 -2.936 -12.468 2.272 1.00 0.00 N ATOM 1536 CA PRO A 94 -2.005 -11.474 1.709 1.00 0.00 C ATOM 1537 C PRO A 94 -0.779 -11.331 2.620 1.00 0.00 C ATOM 1538 O PRO A 94 -0.440 -12.225 3.369 1.00 0.00 O ATOM 1539 CB PRO A 94 -2.805 -10.166 1.703 1.00 0.00 C ATOM 1540 CG PRO A 94 -4.063 -10.395 2.572 1.00 0.00 C ATOM 1541 CD PRO A 94 -4.137 -11.895 2.899 1.00 0.00 C ATOM 0 HA PRO A 94 -1.644 -11.751 0.719 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -2.206 -9.347 2.101 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -3.085 -9.891 0.686 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -4.008 -9.806 3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -4.959 -10.075 2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -4.143 -12.067 3.975 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.046 -12.344 2.499 1.00 0.00 H new ATOM 1549 N TRP A 95 -0.126 -10.203 2.568 1.00 0.00 N ATOM 1550 CA TRP A 95 1.061 -9.976 3.427 1.00 0.00 C ATOM 1551 C TRP A 95 1.646 -8.591 3.148 1.00 0.00 C ATOM 1552 O TRP A 95 2.838 -8.433 2.984 1.00 0.00 O ATOM 1553 CB TRP A 95 2.106 -11.055 3.145 1.00 0.00 C ATOM 1554 CG TRP A 95 2.626 -10.953 1.752 1.00 0.00 C ATOM 1555 CD1 TRP A 95 2.015 -10.322 0.725 1.00 0.00 C ATOM 1556 CD2 TRP A 95 3.855 -11.514 1.221 1.00 0.00 C ATOM 1557 NE1 TRP A 95 2.801 -10.460 -0.407 1.00 0.00 N ATOM 1558 CE2 TRP A 95 3.949 -11.191 -0.149 1.00 0.00 C ATOM 1559 CE3 TRP A 95 4.890 -12.270 1.797 1.00 0.00 C ATOM 1560 CZ2 TRP A 95 5.039 -11.606 -0.924 1.00 0.00 C ATOM 1561 CZ3 TRP A 95 5.982 -12.687 1.027 1.00 0.00 C ATOM 1562 CH2 TRP A 95 6.059 -12.356 -0.330 1.00 0.00 C ATOM 0 H TRP A 95 -0.370 -9.422 1.959 1.00 0.00 H new ATOM 0 HA TRP A 95 0.767 -10.028 4.475 1.00 0.00 H new ATOM 0 HB2 TRP A 95 2.931 -10.959 3.851 1.00 0.00 H new ATOM 0 HB3 TRP A 95 1.666 -12.040 3.300 1.00 0.00 H new ATOM 0 HD1 TRP A 95 1.072 -9.798 0.778 1.00 0.00 H new ATOM 0 HE1 TRP A 95 2.563 -10.071 -1.319 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.842 -12.532 2.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 5.091 -11.349 -1.972 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 6.770 -13.268 1.483 1.00 0.00 H new ATOM 0 HH2 TRP A 95 6.905 -12.679 -0.918 1.00 0.00 H new ATOM 1573 N GLY A 96 0.815 -7.582 3.091 1.00 0.00 N ATOM 1574 CA GLY A 96 1.334 -6.212 2.816 1.00 0.00 C ATOM 1575 C GLY A 96 0.833 -5.219 3.872 1.00 0.00 C ATOM 1576 O GLY A 96 1.407 -4.163 4.053 1.00 0.00 O ATOM 0 H GLY A 96 -0.194 -7.648 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 96 2.424 -6.225 2.811 1.00 0.00 H new ATOM 0 HA3 GLY A 96 1.014 -5.889 1.825 1.00 0.00 H new ATOM 1580 N LYS A 97 -0.232 -5.530 4.562 1.00 0.00 N ATOM 1581 CA LYS A 97 -0.745 -4.571 5.584 1.00 0.00 C ATOM 1582 C LYS A 97 0.406 -4.128 6.499 1.00 0.00 C ATOM 1583 O LYS A 97 0.862 -4.851 7.361 1.00 0.00 O ATOM 1584 CB LYS A 97 -1.895 -5.211 6.386 1.00 0.00 C ATOM 1585 CG LYS A 97 -1.370 -6.079 7.535 1.00 0.00 C ATOM 1586 CD LYS A 97 -0.472 -7.187 6.982 1.00 0.00 C ATOM 1587 CE LYS A 97 -0.660 -8.450 7.822 1.00 0.00 C ATOM 1588 NZ LYS A 97 0.061 -8.296 9.117 1.00 0.00 N ATOM 0 H LYS A 97 -0.763 -6.395 4.465 1.00 0.00 H new ATOM 0 HA LYS A 97 -1.144 -3.686 5.088 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -2.539 -4.428 6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -2.508 -5.819 5.721 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.811 -5.464 8.241 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.205 -6.515 8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.721 -7.388 5.940 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.571 -6.872 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.721 -8.625 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.281 -9.318 7.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -0.066 -9.155 9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.074 -8.148 8.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.321 -7.477 9.632 1.00 0.00 H new ATOM 1602 N GLU A 98 0.892 -2.934 6.300 1.00 0.00 N ATOM 1603 CA GLU A 98 2.013 -2.431 7.141 1.00 0.00 C ATOM 1604 C GLU A 98 1.452 -1.878 8.449 1.00 0.00 C ATOM 1605 O GLU A 98 1.044 -0.736 8.525 1.00 0.00 O ATOM 1606 CB GLU A 98 2.760 -1.332 6.391 1.00 0.00 C ATOM 1607 CG GLU A 98 3.919 -0.822 7.249 1.00 0.00 C ATOM 1608 CD GLU A 98 4.835 -1.991 7.618 1.00 0.00 C ATOM 1609 OE1 GLU A 98 4.512 -2.695 8.562 1.00 0.00 O ATOM 1610 OE2 GLU A 98 5.843 -2.164 6.952 1.00 0.00 O ATOM 0 H GLU A 98 0.559 -2.283 5.588 1.00 0.00 H new ATOM 0 HA GLU A 98 2.703 -3.246 7.360 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.137 -1.716 5.443 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.081 -0.513 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.482 -0.063 6.705 1.00 0.00 H new ATOM 0 HG3 GLU A 98 3.535 -0.348 8.152 1.00 0.00 H new ATOM 1617 N GLY A 99 1.413 -2.678 9.477 1.00 0.00 N ATOM 1618 CA GLY A 99 0.861 -2.189 10.768 1.00 0.00 C ATOM 1619 C GLY A 99 -0.601 -1.786 10.567 1.00 0.00 C ATOM 1620 O GLY A 99 -1.200 -1.139 11.403 1.00 0.00 O ATOM 0 H GLY A 99 1.738 -3.645 9.479 1.00 0.00 H new ATOM 0 HA2 GLY A 99 0.935 -2.967 11.528 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.440 -1.338 11.126 1.00 0.00 H new ATOM 1624 N GLN A 100 -1.181 -2.171 9.462 1.00 0.00 N ATOM 1625 CA GLN A 100 -2.601 -1.818 9.199 1.00 0.00 C ATOM 1626 C GLN A 100 -3.428 -3.105 9.166 1.00 0.00 C ATOM 1627 O GLN A 100 -2.883 -4.182 9.027 1.00 0.00 O ATOM 1628 CB GLN A 100 -2.702 -1.078 7.854 1.00 0.00 C ATOM 1629 CG GLN A 100 -2.759 -2.074 6.689 1.00 0.00 C ATOM 1630 CD GLN A 100 -3.036 -1.318 5.388 1.00 0.00 C ATOM 1631 OE1 GLN A 100 -2.655 -0.074 5.275 1.00 0.00 O flip ATOM 1632 NE2 GLN A 100 -3.604 -1.865 4.463 1.00 0.00 N flip ATOM 0 H GLN A 100 -0.728 -2.717 8.729 1.00 0.00 H new ATOM 0 HA GLN A 100 -2.982 -1.165 9.984 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -3.593 -0.449 7.845 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.844 -0.417 7.732 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -1.817 -2.617 6.614 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -3.540 -2.814 6.866 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.902 -2.837 4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -3.783 -1.352 3.599 1.00 0.00 H new ATOM 1641 N PRO A 101 -4.719 -2.958 9.295 1.00 0.00 N ATOM 1642 CA PRO A 101 -5.634 -4.106 9.280 1.00 0.00 C ATOM 1643 C PRO A 101 -5.514 -4.844 7.947 1.00 0.00 C ATOM 1644 O PRO A 101 -5.455 -6.056 7.902 1.00 0.00 O ATOM 1645 CB PRO A 101 -7.034 -3.498 9.441 1.00 0.00 C ATOM 1646 CG PRO A 101 -6.861 -1.968 9.624 1.00 0.00 C ATOM 1647 CD PRO A 101 -5.366 -1.646 9.465 1.00 0.00 C ATOM 0 HA PRO A 101 -5.415 -4.828 10.067 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -7.648 -3.712 8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -7.543 -3.932 10.302 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -7.450 -1.425 8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -7.217 -1.657 10.606 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -5.189 -1.002 8.604 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -4.978 -1.123 10.339 1.00 0.00 H new ATOM 1655 N GLY A 102 -5.473 -4.117 6.863 1.00 0.00 N ATOM 1656 CA GLY A 102 -5.356 -4.769 5.529 1.00 0.00 C ATOM 1657 C GLY A 102 -6.507 -5.761 5.352 1.00 0.00 C ATOM 1658 O GLY A 102 -6.586 -6.762 6.032 1.00 0.00 O ATOM 0 H GLY A 102 -5.516 -3.098 6.845 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.383 -4.018 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.399 -5.285 5.445 1.00 0.00 H new ATOM 1662 N GLU A 103 -7.407 -5.495 4.451 1.00 0.00 N ATOM 1663 CA GLU A 103 -8.549 -6.448 4.266 1.00 0.00 C ATOM 1664 C GLU A 103 -9.002 -6.487 2.804 1.00 0.00 C ATOM 1665 O GLU A 103 -9.216 -5.466 2.183 1.00 0.00 O ATOM 1666 CB GLU A 103 -9.731 -6.018 5.144 1.00 0.00 C ATOM 1667 CG GLU A 103 -9.906 -4.497 5.084 1.00 0.00 C ATOM 1668 CD GLU A 103 -10.712 -4.033 6.299 1.00 0.00 C ATOM 1669 OE1 GLU A 103 -11.929 -4.093 6.236 1.00 0.00 O ATOM 1670 OE2 GLU A 103 -10.099 -3.626 7.273 1.00 0.00 O ATOM 0 H GLU A 103 -7.409 -4.677 3.842 1.00 0.00 H new ATOM 0 HA GLU A 103 -8.209 -7.442 4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -10.643 -6.510 4.806 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -9.562 -6.332 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.932 -4.008 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -10.418 -4.214 4.164 1.00 0.00 H new ATOM 1677 N TRP A 104 -9.175 -7.667 2.253 1.00 0.00 N ATOM 1678 CA TRP A 104 -9.641 -7.754 0.841 1.00 0.00 C ATOM 1679 C TRP A 104 -10.828 -6.819 0.686 1.00 0.00 C ATOM 1680 O TRP A 104 -11.789 -6.892 1.427 1.00 0.00 O ATOM 1681 CB TRP A 104 -10.077 -9.182 0.498 1.00 0.00 C ATOM 1682 CG TRP A 104 -9.071 -10.145 1.029 1.00 0.00 C ATOM 1683 CD1 TRP A 104 -7.745 -10.085 0.780 1.00 0.00 C ATOM 1684 CD2 TRP A 104 -9.275 -11.302 1.893 1.00 0.00 C ATOM 1685 NE1 TRP A 104 -7.121 -11.133 1.426 1.00 0.00 N ATOM 1686 CE2 TRP A 104 -8.021 -11.911 2.129 1.00 0.00 C ATOM 1687 CE3 TRP A 104 -10.414 -11.877 2.487 1.00 0.00 C ATOM 1688 CZ2 TRP A 104 -7.899 -13.049 2.924 1.00 0.00 C ATOM 1689 CZ3 TRP A 104 -10.294 -13.024 3.291 1.00 0.00 C ATOM 1690 CH2 TRP A 104 -9.039 -13.609 3.509 1.00 0.00 C ATOM 0 H TRP A 104 -9.014 -8.561 2.718 1.00 0.00 H new ATOM 0 HA TRP A 104 -8.828 -7.475 0.170 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -11.057 -9.388 0.928 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -10.172 -9.296 -0.582 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -7.253 -9.339 0.174 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -6.117 -11.312 1.389 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -11.386 -11.435 2.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -6.929 -13.496 3.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -11.174 -13.457 3.743 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -8.953 -14.490 4.127 1.00 0.00 H new ATOM 1701 N MET A 105 -10.768 -5.937 -0.258 1.00 0.00 N ATOM 1702 CA MET A 105 -11.891 -4.991 -0.443 1.00 0.00 C ATOM 1703 C MET A 105 -12.418 -5.107 -1.863 1.00 0.00 C ATOM 1704 O MET A 105 -11.805 -4.631 -2.792 1.00 0.00 O ATOM 1705 CB MET A 105 -11.394 -3.562 -0.199 1.00 0.00 C ATOM 1706 CG MET A 105 -12.586 -2.618 -0.005 1.00 0.00 C ATOM 1707 SD MET A 105 -13.655 -3.215 1.333 1.00 0.00 S ATOM 1708 CE MET A 105 -12.369 -3.932 2.387 1.00 0.00 C ATOM 0 H MET A 105 -9.991 -5.828 -0.910 1.00 0.00 H new ATOM 0 HA MET A 105 -12.689 -5.226 0.262 1.00 0.00 H new ATOM 0 HB2 MET A 105 -10.753 -3.537 0.682 1.00 0.00 H new ATOM 0 HB3 MET A 105 -10.790 -3.229 -1.043 1.00 0.00 H new ATOM 0 HG2 MET A 105 -12.229 -1.614 0.227 1.00 0.00 H new ATOM 0 HG3 MET A 105 -13.157 -2.548 -0.931 1.00 0.00 H new ATOM 0 HE1 MET A 105 -12.722 -3.969 3.418 1.00 0.00 H new ATOM 0 HE2 MET A 105 -12.139 -4.941 2.045 1.00 0.00 H new ATOM 0 HE3 MET A 105 -11.470 -3.318 2.333 1.00 0.00 H new ATOM 1718 N SER A 106 -13.557 -5.721 -2.039 1.00 0.00 N ATOM 1719 CA SER A 106 -14.129 -5.838 -3.406 1.00 0.00 C ATOM 1720 C SER A 106 -14.606 -4.449 -3.815 1.00 0.00 C ATOM 1721 O SER A 106 -15.766 -4.113 -3.686 1.00 0.00 O ATOM 1722 CB SER A 106 -15.307 -6.814 -3.396 1.00 0.00 C ATOM 1723 OG SER A 106 -15.575 -7.224 -2.061 1.00 0.00 O ATOM 0 H SER A 106 -14.113 -6.145 -1.296 1.00 0.00 H new ATOM 0 HA SER A 106 -13.384 -6.213 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 106 -16.189 -6.339 -3.825 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.079 -7.682 -4.015 1.00 0.00 H new ATOM 0 HG SER A 106 -16.331 -7.848 -2.056 1.00 0.00 H new ATOM 1729 N LEU A 107 -13.707 -3.626 -4.271 1.00 0.00 N ATOM 1730 CA LEU A 107 -14.092 -2.242 -4.647 1.00 0.00 C ATOM 1731 C LEU A 107 -14.716 -2.217 -6.045 1.00 0.00 C ATOM 1732 O LEU A 107 -15.919 -2.167 -6.164 1.00 0.00 O ATOM 1733 CB LEU A 107 -12.854 -1.340 -4.585 1.00 0.00 C ATOM 1734 CG LEU A 107 -13.292 0.120 -4.551 1.00 0.00 C ATOM 1735 CD1 LEU A 107 -12.268 0.941 -3.763 1.00 0.00 C ATOM 1736 CD2 LEU A 107 -13.380 0.646 -5.981 1.00 0.00 C ATOM 0 H LEU A 107 -12.721 -3.853 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 107 -14.839 -1.871 -3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -12.264 -1.575 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -12.216 -1.520 -5.450 1.00 0.00 H new ATOM 0 HG LEU A 107 -14.266 0.203 -4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -12.580 1.985 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -12.201 0.558 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -11.293 0.865 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -13.693 1.690 -5.966 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -12.403 0.567 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -14.107 0.058 -6.541 1.00 0.00 H new ATOM 1748 N VAL A 108 -13.895 -2.243 -7.080 1.00 0.00 N ATOM 1749 CA VAL A 108 -14.380 -2.208 -8.507 1.00 0.00 C ATOM 1750 C VAL A 108 -13.890 -0.915 -9.156 1.00 0.00 C ATOM 1751 O VAL A 108 -14.421 0.149 -8.901 1.00 0.00 O ATOM 1752 CB VAL A 108 -15.909 -2.248 -8.606 1.00 0.00 C ATOM 1753 CG1 VAL A 108 -16.322 -1.960 -10.044 1.00 0.00 C ATOM 1754 CG2 VAL A 108 -16.417 -3.633 -8.196 1.00 0.00 C ATOM 0 H VAL A 108 -12.880 -2.288 -6.990 1.00 0.00 H new ATOM 0 HA VAL A 108 -13.987 -3.090 -9.013 1.00 0.00 H new ATOM 0 HB VAL A 108 -16.338 -1.498 -7.941 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -17.409 -1.987 -10.123 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -15.961 -0.974 -10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -15.892 -2.713 -10.704 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -17.504 -3.658 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -15.993 -4.387 -8.859 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -16.116 -3.842 -7.169 1.00 0.00 H new ATOM 1764 N GLY A 109 -12.881 -0.991 -9.986 1.00 0.00 N ATOM 1765 CA GLY A 109 -12.361 0.246 -10.637 1.00 0.00 C ATOM 1766 C GLY A 109 -12.318 1.363 -9.596 1.00 0.00 C ATOM 1767 O GLY A 109 -13.193 2.202 -9.536 1.00 0.00 O ATOM 0 H GLY A 109 -12.398 -1.853 -10.239 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -11.365 0.069 -11.044 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.001 0.532 -11.472 1.00 0.00 H new ATOM 1771 N LEU A 110 -11.320 1.355 -8.757 1.00 0.00 N ATOM 1772 CA LEU A 110 -11.220 2.390 -7.693 1.00 0.00 C ATOM 1773 C LEU A 110 -11.641 3.762 -8.222 1.00 0.00 C ATOM 1774 O LEU A 110 -11.744 3.984 -9.412 1.00 0.00 O ATOM 1775 CB LEU A 110 -9.794 2.454 -7.184 1.00 0.00 C ATOM 1776 CG LEU A 110 -9.791 2.127 -5.698 1.00 0.00 C ATOM 1777 CD1 LEU A 110 -9.265 0.708 -5.488 1.00 0.00 C ATOM 1778 CD2 LEU A 110 -8.894 3.122 -4.968 1.00 0.00 C ATOM 0 H LEU A 110 -10.564 0.670 -8.764 1.00 0.00 H new ATOM 0 HA LEU A 110 -11.892 2.117 -6.879 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.167 1.747 -7.728 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.377 3.447 -7.353 1.00 0.00 H new ATOM 0 HG LEU A 110 -10.805 2.194 -5.305 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -9.263 0.475 -4.423 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -9.907 0.001 -6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.249 0.635 -5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -8.888 2.893 -3.902 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.879 3.053 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -9.273 4.133 -5.119 1.00 0.00 H new ATOM 1790 N ASN A 111 -11.915 4.680 -7.331 1.00 0.00 N ATOM 1791 CA ASN A 111 -12.372 6.032 -7.764 1.00 0.00 C ATOM 1792 C ASN A 111 -11.735 7.139 -6.911 1.00 0.00 C ATOM 1793 O ASN A 111 -11.909 8.308 -7.190 1.00 0.00 O ATOM 1794 CB ASN A 111 -13.887 6.091 -7.580 1.00 0.00 C ATOM 1795 CG ASN A 111 -14.512 6.905 -8.712 1.00 0.00 C ATOM 1796 OD1 ASN A 111 -15.391 6.340 -9.496 1.00 0.00 O flip ATOM 1797 ND2 ASN A 111 -14.200 8.066 -8.887 1.00 0.00 N flip ATOM 0 H ASN A 111 -11.842 4.550 -6.322 1.00 0.00 H new ATOM 0 HA ASN A 111 -12.081 6.190 -8.802 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -14.302 5.083 -7.572 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -14.129 6.543 -6.618 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -13.514 8.507 -8.275 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -14.624 8.599 -9.646 1.00 0.00 H new ATOM 1804 N ALA A 112 -11.044 6.787 -5.856 1.00 0.00 N ATOM 1805 CA ALA A 112 -10.438 7.819 -4.951 1.00 0.00 C ATOM 1806 C ALA A 112 -11.503 8.285 -3.955 1.00 0.00 C ATOM 1807 O ALA A 112 -11.200 8.723 -2.863 1.00 0.00 O ATOM 1808 CB ALA A 112 -9.925 9.020 -5.749 1.00 0.00 C ATOM 0 H ALA A 112 -10.871 5.821 -5.578 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.592 7.375 -4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.491 9.751 -5.067 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -9.165 8.689 -6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -10.753 9.476 -6.292 1.00 0.00 H new ATOM 1814 N ASP A 113 -12.750 8.171 -4.321 1.00 0.00 N ATOM 1815 CA ASP A 113 -13.848 8.573 -3.412 1.00 0.00 C ATOM 1816 C ASP A 113 -13.694 7.804 -2.105 1.00 0.00 C ATOM 1817 O ASP A 113 -14.069 8.259 -1.043 1.00 0.00 O ATOM 1818 CB ASP A 113 -15.171 8.193 -4.071 1.00 0.00 C ATOM 1819 CG ASP A 113 -16.160 9.355 -3.962 1.00 0.00 C ATOM 1820 OD1 ASP A 113 -16.554 9.671 -2.852 1.00 0.00 O ATOM 1821 OD2 ASP A 113 -16.510 9.908 -4.993 1.00 0.00 O ATOM 0 H ASP A 113 -13.054 7.811 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 113 -13.822 9.645 -3.215 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -15.006 7.941 -5.119 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -15.585 7.306 -3.591 1.00 0.00 H new ATOM 1826 N ASP A 114 -13.140 6.630 -2.194 1.00 0.00 N ATOM 1827 CA ASP A 114 -12.944 5.792 -0.988 1.00 0.00 C ATOM 1828 C ASP A 114 -11.536 6.027 -0.433 1.00 0.00 C ATOM 1829 O ASP A 114 -11.251 5.736 0.713 1.00 0.00 O ATOM 1830 CB ASP A 114 -13.107 4.328 -1.388 1.00 0.00 C ATOM 1831 CG ASP A 114 -14.554 3.892 -1.157 1.00 0.00 C ATOM 1832 OD1 ASP A 114 -15.372 4.749 -0.870 1.00 0.00 O ATOM 1833 OD2 ASP A 114 -14.820 2.706 -1.276 1.00 0.00 O ATOM 0 H ASP A 114 -12.811 6.212 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 114 -13.675 6.050 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -12.839 4.195 -2.436 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -12.431 3.703 -0.804 1.00 0.00 H new ATOM 1838 N PHE A 115 -10.651 6.552 -1.242 1.00 0.00 N ATOM 1839 CA PHE A 115 -9.255 6.807 -0.775 1.00 0.00 C ATOM 1840 C PHE A 115 -9.117 8.262 -0.312 1.00 0.00 C ATOM 1841 O PHE A 115 -9.761 9.144 -0.847 1.00 0.00 O ATOM 1842 CB PHE A 115 -8.278 6.571 -1.927 1.00 0.00 C ATOM 1843 CG PHE A 115 -7.866 5.121 -1.970 1.00 0.00 C ATOM 1844 CD1 PHE A 115 -8.835 4.122 -2.096 1.00 0.00 C ATOM 1845 CD2 PHE A 115 -6.511 4.779 -1.899 1.00 0.00 C ATOM 1846 CE1 PHE A 115 -8.450 2.777 -2.148 1.00 0.00 C ATOM 1847 CE2 PHE A 115 -6.124 3.435 -1.952 1.00 0.00 C ATOM 1848 CZ PHE A 115 -7.094 2.435 -2.077 1.00 0.00 C ATOM 0 H PHE A 115 -10.836 6.816 -2.210 1.00 0.00 H new ATOM 0 HA PHE A 115 -9.033 6.132 0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -8.743 6.853 -2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -7.399 7.203 -1.803 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -9.880 4.387 -2.153 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -5.763 5.553 -1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -9.198 2.004 -2.243 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -5.078 3.171 -1.896 1.00 0.00 H new ATOM 0 HZ PHE A 115 -6.797 1.398 -2.119 1.00 0.00 H new ATOM 1858 N PRO A 116 -8.266 8.470 0.662 1.00 0.00 N ATOM 1859 CA PRO A 116 -8.005 9.814 1.210 1.00 0.00 C ATOM 1860 C PRO A 116 -7.287 10.679 0.164 1.00 0.00 C ATOM 1861 O PRO A 116 -6.448 10.191 -0.566 1.00 0.00 O ATOM 1862 CB PRO A 116 -7.088 9.572 2.415 1.00 0.00 C ATOM 1863 CG PRO A 116 -6.785 8.054 2.482 1.00 0.00 C ATOM 1864 CD PRO A 116 -7.507 7.382 1.305 1.00 0.00 C ATOM 0 HA PRO A 116 -8.922 10.336 1.485 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.164 10.142 2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.569 9.907 3.334 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -5.711 7.875 2.424 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.127 7.637 3.429 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -6.798 6.930 0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -8.169 6.587 1.648 1.00 0.00 H new ATOM 1872 N PRO A 117 -7.634 11.943 0.124 1.00 0.00 N ATOM 1873 CA PRO A 117 -7.027 12.894 -0.826 1.00 0.00 C ATOM 1874 C PRO A 117 -5.526 13.039 -0.554 1.00 0.00 C ATOM 1875 O PRO A 117 -4.754 13.334 -1.444 1.00 0.00 O ATOM 1876 CB PRO A 117 -7.749 14.223 -0.570 1.00 0.00 C ATOM 1877 CG PRO A 117 -8.772 13.990 0.571 1.00 0.00 C ATOM 1878 CD PRO A 117 -8.656 12.522 1.013 1.00 0.00 C ATOM 0 HA PRO A 117 -7.129 12.563 -1.860 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -7.036 14.999 -0.292 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -8.255 14.564 -1.473 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -8.570 14.658 1.408 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -9.783 14.207 0.227 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -8.360 12.446 2.059 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -9.609 12.002 0.913 1.00 0.00 H new ATOM 1886 N ALA A 118 -5.110 12.836 0.671 1.00 0.00 N ATOM 1887 CA ALA A 118 -3.660 12.962 1.001 1.00 0.00 C ATOM 1888 C ALA A 118 -2.830 12.327 -0.112 1.00 0.00 C ATOM 1889 O ALA A 118 -1.893 12.913 -0.616 1.00 0.00 O ATOM 1890 CB ALA A 118 -3.368 12.242 2.317 1.00 0.00 C ATOM 0 H ALA A 118 -5.713 12.589 1.456 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.403 14.017 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.309 12.336 2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -3.961 12.689 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -3.626 11.188 2.220 1.00 0.00 H new ATOM 1896 N ASN A 119 -3.177 11.135 -0.509 1.00 0.00 N ATOM 1897 CA ASN A 119 -2.416 10.467 -1.598 1.00 0.00 C ATOM 1898 C ASN A 119 -3.151 10.707 -2.912 1.00 0.00 C ATOM 1899 O ASN A 119 -3.504 9.791 -3.618 1.00 0.00 O ATOM 1900 CB ASN A 119 -2.320 8.966 -1.321 1.00 0.00 C ATOM 1901 CG ASN A 119 -0.890 8.625 -0.904 1.00 0.00 C ATOM 1902 OD1 ASN A 119 -0.400 7.549 -1.187 1.00 0.00 O ATOM 1903 ND2 ASN A 119 -0.193 9.505 -0.237 1.00 0.00 N ATOM 0 H ASN A 119 -3.954 10.596 -0.126 1.00 0.00 H new ATOM 0 HA ASN A 119 -1.406 10.874 -1.654 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -3.019 8.683 -0.534 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -2.597 8.401 -2.211 1.00 0.00 H new ATOM 0 HD21 ASN A 119 0.763 9.290 0.047 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -0.604 10.408 0.000 1.00 0.00 H new ATOM 1910 N GLU A 120 -3.390 11.945 -3.227 1.00 0.00 N ATOM 1911 CA GLU A 120 -4.110 12.296 -4.484 1.00 0.00 C ATOM 1912 C GLU A 120 -3.333 11.854 -5.737 1.00 0.00 C ATOM 1913 O GLU A 120 -3.930 11.375 -6.676 1.00 0.00 O ATOM 1914 CB GLU A 120 -4.286 13.809 -4.526 1.00 0.00 C ATOM 1915 CG GLU A 120 -5.774 14.153 -4.445 1.00 0.00 C ATOM 1916 CD GLU A 120 -6.279 14.549 -5.835 1.00 0.00 C ATOM 1917 OE1 GLU A 120 -6.075 13.780 -6.760 1.00 0.00 O ATOM 1918 OE2 GLU A 120 -6.862 15.614 -5.950 1.00 0.00 O ATOM 0 H GLU A 120 -3.113 12.745 -2.658 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.069 11.779 -4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -3.750 14.271 -3.697 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -3.859 14.210 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -6.337 13.298 -4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.932 14.971 -3.742 1.00 0.00 H new ATOM 1925 N PRO A 121 -2.036 12.057 -5.741 1.00 0.00 N ATOM 1926 CA PRO A 121 -1.195 11.707 -6.906 1.00 0.00 C ATOM 1927 C PRO A 121 -1.368 10.245 -7.341 1.00 0.00 C ATOM 1928 O PRO A 121 -1.536 9.963 -8.511 1.00 0.00 O ATOM 1929 CB PRO A 121 0.239 11.980 -6.440 1.00 0.00 C ATOM 1930 CG PRO A 121 0.155 12.743 -5.098 1.00 0.00 C ATOM 1931 CD PRO A 121 -1.295 12.649 -4.608 1.00 0.00 C ATOM 0 HA PRO A 121 -1.471 12.291 -7.784 1.00 0.00 H new ATOM 0 HB2 PRO A 121 0.786 11.045 -6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 121 0.778 12.569 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 121 0.836 12.309 -4.366 1.00 0.00 H new ATOM 0 HG3 PRO A 121 0.449 13.784 -5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -1.372 12.027 -3.716 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -1.689 13.631 -4.347 1.00 0.00 H new ATOM 1939 N VAL A 122 -1.318 9.313 -6.433 1.00 0.00 N ATOM 1940 CA VAL A 122 -1.466 7.883 -6.839 1.00 0.00 C ATOM 1941 C VAL A 122 -2.950 7.497 -6.833 1.00 0.00 C ATOM 1942 O VAL A 122 -3.408 6.762 -7.682 1.00 0.00 O ATOM 1943 CB VAL A 122 -0.673 7.008 -5.866 1.00 0.00 C ATOM 1944 CG1 VAL A 122 -1.386 5.675 -5.633 1.00 0.00 C ATOM 1945 CG2 VAL A 122 0.720 6.735 -6.442 1.00 0.00 C ATOM 0 H VAL A 122 -1.182 9.474 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 122 -1.078 7.735 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 122 -0.590 7.536 -4.916 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.805 5.068 -4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -2.375 5.860 -5.214 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -1.486 5.146 -6.581 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.285 6.112 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 122 0.624 6.220 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.244 7.679 -6.590 1.00 0.00 H new ATOM 1955 N ILE A 123 -3.703 7.985 -5.890 1.00 0.00 N ATOM 1956 CA ILE A 123 -5.152 7.647 -5.863 1.00 0.00 C ATOM 1957 C ILE A 123 -5.778 8.211 -7.136 1.00 0.00 C ATOM 1958 O ILE A 123 -6.819 7.775 -7.578 1.00 0.00 O ATOM 1959 CB ILE A 123 -5.813 8.265 -4.621 1.00 0.00 C ATOM 1960 CG1 ILE A 123 -5.643 7.323 -3.422 1.00 0.00 C ATOM 1961 CG2 ILE A 123 -7.311 8.476 -4.876 1.00 0.00 C ATOM 1962 CD1 ILE A 123 -4.229 6.733 -3.413 1.00 0.00 C ATOM 0 H ILE A 123 -3.382 8.599 -5.142 1.00 0.00 H new ATOM 0 HA ILE A 123 -5.296 6.568 -5.816 1.00 0.00 H new ATOM 0 HB ILE A 123 -5.338 9.223 -4.411 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -5.825 7.866 -2.494 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -6.380 6.521 -3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -7.773 8.914 -3.991 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -7.445 9.147 -5.725 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -7.782 7.517 -5.093 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -4.119 6.066 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -4.062 6.174 -4.334 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -3.499 7.539 -3.341 1.00 0.00 H new ATOM 1974 N ALA A 124 -5.125 9.172 -7.730 1.00 0.00 N ATOM 1975 CA ALA A 124 -5.637 9.777 -8.986 1.00 0.00 C ATOM 1976 C ALA A 124 -5.646 8.697 -10.062 1.00 0.00 C ATOM 1977 O ALA A 124 -6.458 8.695 -10.967 1.00 0.00 O ATOM 1978 CB ALA A 124 -4.699 10.905 -9.409 1.00 0.00 C ATOM 0 H ALA A 124 -4.247 9.567 -7.392 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.642 10.174 -8.841 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -5.066 11.357 -10.331 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.662 11.661 -8.624 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.699 10.504 -9.574 1.00 0.00 H new ATOM 1984 N LYS A 125 -4.726 7.791 -9.954 1.00 0.00 N ATOM 1985 CA LYS A 125 -4.607 6.686 -10.938 1.00 0.00 C ATOM 1986 C LYS A 125 -5.624 5.583 -10.632 1.00 0.00 C ATOM 1987 O LYS A 125 -6.227 5.030 -11.529 1.00 0.00 O ATOM 1988 CB LYS A 125 -3.190 6.123 -10.862 1.00 0.00 C ATOM 1989 CG LYS A 125 -2.189 7.251 -11.108 1.00 0.00 C ATOM 1990 CD LYS A 125 -2.436 7.876 -12.483 1.00 0.00 C ATOM 1991 CE LYS A 125 -2.699 9.373 -12.319 1.00 0.00 C ATOM 1992 NZ LYS A 125 -2.195 10.097 -13.519 1.00 0.00 N ATOM 0 H LYS A 125 -4.033 7.768 -9.206 1.00 0.00 H new ATOM 0 HA LYS A 125 -4.809 7.065 -11.940 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -3.016 5.673 -9.885 1.00 0.00 H new ATOM 0 HB3 LYS A 125 -3.058 5.335 -11.604 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -2.285 8.010 -10.331 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -1.171 6.865 -11.052 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -1.572 7.716 -13.128 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -3.288 7.396 -12.965 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.766 9.554 -12.193 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -2.204 9.744 -11.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -1.347 10.643 -13.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.955 9.411 -14.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -2.931 10.743 -13.869 1.00 0.00 H new ATOM 2006 N LEU A 126 -5.836 5.254 -9.382 1.00 0.00 N ATOM 2007 CA LEU A 126 -6.836 4.190 -9.075 1.00 0.00 C ATOM 2008 C LEU A 126 -8.207 4.705 -9.497 1.00 0.00 C ATOM 2009 O LEU A 126 -9.128 3.955 -9.745 1.00 0.00 O ATOM 2010 CB LEU A 126 -6.850 3.862 -7.576 1.00 0.00 C ATOM 2011 CG LEU A 126 -5.477 3.359 -7.076 1.00 0.00 C ATOM 2012 CD1 LEU A 126 -4.431 3.339 -8.200 1.00 0.00 C ATOM 2013 CD2 LEU A 126 -4.992 4.284 -5.961 1.00 0.00 C ATOM 0 H LEU A 126 -5.369 5.668 -8.575 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.576 3.278 -9.613 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -7.136 4.751 -7.014 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -7.607 3.103 -7.379 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.600 2.338 -6.714 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.480 2.979 -7.806 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -4.767 2.677 -8.998 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.302 4.347 -8.595 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.023 3.940 -5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -4.896 5.299 -6.346 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.710 4.274 -5.141 1.00 0.00 H new ATOM 2025 N LYS A 127 -8.335 5.992 -9.607 1.00 0.00 N ATOM 2026 CA LYS A 127 -9.625 6.571 -10.053 1.00 0.00 C ATOM 2027 C LYS A 127 -9.935 5.980 -11.415 1.00 0.00 C ATOM 2028 O LYS A 127 -11.064 5.695 -11.760 1.00 0.00 O ATOM 2029 CB LYS A 127 -9.465 8.079 -10.193 1.00 0.00 C ATOM 2030 CG LYS A 127 -8.801 8.624 -8.937 1.00 0.00 C ATOM 2031 CD LYS A 127 -9.482 9.930 -8.512 1.00 0.00 C ATOM 2032 CE LYS A 127 -9.250 11.002 -9.579 1.00 0.00 C ATOM 2033 NZ LYS A 127 -8.624 12.202 -8.952 1.00 0.00 N ATOM 0 H LYS A 127 -7.600 6.670 -9.407 1.00 0.00 H new ATOM 0 HA LYS A 127 -10.421 6.354 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 127 -8.862 8.314 -11.070 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -10.437 8.549 -10.339 1.00 0.00 H new ATOM 0 HG2 LYS A 127 -8.867 7.891 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 127 -7.741 8.800 -9.122 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -10.551 9.766 -8.373 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -9.084 10.264 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -8.605 10.612 -10.367 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -10.196 11.275 -10.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -8.886 13.052 -9.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -8.960 12.297 -7.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -7.589 12.095 -8.955 1.00 0.00 H new ATOM 2047 N ARG A 128 -8.905 5.792 -12.181 1.00 0.00 N ATOM 2048 CA ARG A 128 -9.053 5.214 -13.537 1.00 0.00 C ATOM 2049 C ARG A 128 -9.106 3.689 -13.412 1.00 0.00 C ATOM 2050 O ARG A 128 -9.579 2.997 -14.291 1.00 0.00 O ATOM 2051 CB ARG A 128 -7.841 5.616 -14.389 1.00 0.00 C ATOM 2052 CG ARG A 128 -7.203 6.902 -13.842 1.00 0.00 C ATOM 2053 CD ARG A 128 -6.728 7.775 -15.005 1.00 0.00 C ATOM 2054 NE ARG A 128 -5.597 8.633 -14.549 1.00 0.00 N ATOM 2055 CZ ARG A 128 -4.837 9.235 -15.425 1.00 0.00 C ATOM 2056 NH1 ARG A 128 -3.863 8.584 -15.999 1.00 0.00 N ATOM 2057 NH2 ARG A 128 -5.052 10.487 -15.725 1.00 0.00 N ATOM 0 H ARG A 128 -7.946 6.020 -11.918 1.00 0.00 H new ATOM 0 HA ARG A 128 -9.965 5.581 -14.008 1.00 0.00 H new ATOM 0 HB2 ARG A 128 -7.107 4.811 -14.390 1.00 0.00 H new ATOM 0 HB3 ARG A 128 -8.150 5.767 -15.423 1.00 0.00 H new ATOM 0 HG2 ARG A 128 -7.925 7.448 -13.235 1.00 0.00 H new ATOM 0 HG3 ARG A 128 -6.363 6.655 -13.193 1.00 0.00 H new ATOM 0 HD2 ARG A 128 -6.411 7.149 -15.839 1.00 0.00 H new ATOM 0 HD3 ARG A 128 -7.548 8.396 -15.367 1.00 0.00 H new ATOM 0 HE ARG A 128 -5.416 8.750 -13.552 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -3.695 7.606 -15.764 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -3.269 9.053 -16.683 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -5.813 10.996 -15.276 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -4.459 10.957 -16.409 1.00 0.00 H new ATOM 2071 N LEU A 129 -8.618 3.165 -12.318 1.00 0.00 N ATOM 2072 CA LEU A 129 -8.628 1.689 -12.116 1.00 0.00 C ATOM 2073 C LEU A 129 -9.969 1.116 -12.579 1.00 0.00 C ATOM 2074 O LEU A 129 -9.956 0.088 -13.236 1.00 0.00 O ATOM 2075 CB LEU A 129 -8.422 1.373 -10.633 1.00 0.00 C ATOM 2076 CG LEU A 129 -7.372 0.278 -10.489 1.00 0.00 C ATOM 2077 CD1 LEU A 129 -5.985 0.872 -10.741 1.00 0.00 C ATOM 2078 CD2 LEU A 129 -7.432 -0.294 -9.071 1.00 0.00 C ATOM 2079 OXT LEU A 129 -10.985 1.716 -12.270 1.00 0.00 O ATOM 0 H LEU A 129 -8.211 3.701 -11.552 1.00 0.00 H new ATOM 0 HA LEU A 129 -7.823 1.240 -12.698 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -8.104 2.269 -10.100 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -9.362 1.052 -10.184 1.00 0.00 H new ATOM 0 HG LEU A 129 -7.565 -0.515 -11.211 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -5.231 0.092 -10.639 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -5.944 1.286 -11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -5.790 1.662 -10.016 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -6.683 -1.078 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -7.234 0.499 -8.350 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -8.422 -0.711 -8.889 1.00 0.00 H new