USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 571 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 73 ASN : amide:sc= -2.78 K(o=-6.3,f=-11!) USER MOD Set 1.2: A 76 GLN :FLIP amide:sc= -3.48 F(o=-9.3!,f=-6.3) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.823! C(o=0.25!,f=-7.7!) USER MOD Set 2.2: A 66 GLN : amide:sc= -0.57 K(o=0.25,f=-9.3!) USER MOD Set 3.1: A 8 LYS NZ :NH3+ -126:sc= -0.357 (180deg=-2.03!) USER MOD Set 3.2: A 19 GLN : amide:sc= -0.663 K(o=-1,f=-2.5) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.279 K(o=-0.28,f=-2.3!) USER MOD Single : A 14 GLN : amide:sc= -1.96 K(o=-2,f=-5.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0368 USER MOD Single : A 25 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0.00844 USER MOD Single : A 36 SER OG : rot 180:sc= -0.146 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -103:sc= 1.16 USER MOD Single : A 64 THR OG1 : rot 155:sc= -4.3! USER MOD Single : A 71 TYR OH : rot -32:sc= 0.00486 USER MOD Single : A 75 HIS : no HD1:sc= -1.55 K(o=-1.6,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 26 N ILE A 3 -3.215 -8.591 -10.531 1.00 0.00 N ATOM 27 CA ILE A 3 -2.412 -8.048 -9.449 1.00 0.00 C ATOM 28 C ILE A 3 -2.779 -6.578 -9.236 1.00 0.00 C ATOM 29 O ILE A 3 -3.135 -6.178 -8.129 1.00 0.00 O ATOM 30 CB ILE A 3 -0.924 -8.278 -9.719 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.375 -9.405 -8.841 1.00 0.00 C ATOM 32 CG2 ILE A 3 -0.129 -6.981 -9.550 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.483 -8.846 -7.704 1.00 0.00 C ATOM 0 HA ILE A 3 -2.627 -8.569 -8.516 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.810 -8.593 -10.756 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.201 -9.984 -8.427 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.220 -10.087 -9.448 1.00 0.00 H new ATOM 0 HG21 ILE A 3 0.926 -7.172 -9.748 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -0.500 -6.233 -10.251 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.246 -6.613 -8.531 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.861 -9.668 -7.095 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.321 -8.288 -8.121 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.121 -8.183 -7.084 1.00 0.00 H new ATOM 45 N GLU A 4 -2.679 -5.814 -10.314 1.00 0.00 N ATOM 46 CA GLU A 4 -2.995 -4.397 -10.258 1.00 0.00 C ATOM 47 C GLU A 4 -4.444 -4.194 -9.812 1.00 0.00 C ATOM 48 O GLU A 4 -4.717 -3.388 -8.924 1.00 0.00 O ATOM 49 CB GLU A 4 -2.738 -3.725 -11.608 1.00 0.00 C ATOM 50 CG GLU A 4 -3.442 -2.369 -11.689 1.00 0.00 C ATOM 51 CD GLU A 4 -4.613 -2.417 -12.673 1.00 0.00 C ATOM 52 OE1 GLU A 4 -4.402 -2.333 -13.892 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.776 -2.547 -12.130 1.00 0.00 O ATOM 0 H GLU A 4 -2.384 -6.149 -11.231 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.340 -3.927 -9.524 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.666 -3.591 -11.753 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.091 -4.370 -12.412 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.804 -2.084 -10.701 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.731 -1.604 -12.001 1.00 0.00 H new ATOM 61 N GLU A 5 -5.336 -4.939 -10.449 1.00 0.00 N ATOM 62 CA GLU A 5 -6.751 -4.851 -10.128 1.00 0.00 C ATOM 63 C GLU A 5 -6.955 -4.892 -8.613 1.00 0.00 C ATOM 64 O GLU A 5 -7.952 -4.382 -8.103 1.00 0.00 O ATOM 65 CB GLU A 5 -7.540 -5.965 -10.819 1.00 0.00 C ATOM 66 CG GLU A 5 -8.901 -6.168 -10.151 1.00 0.00 C ATOM 67 CD GLU A 5 -9.952 -6.609 -11.171 1.00 0.00 C ATOM 68 OE1 GLU A 5 -9.853 -6.255 -12.355 1.00 0.00 O ATOM 69 OE2 GLU A 5 -10.898 -7.346 -10.696 1.00 0.00 O ATOM 0 H GLU A 5 -5.106 -5.606 -11.186 1.00 0.00 H new ATOM 0 HA GLU A 5 -7.130 -3.899 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.681 -5.717 -11.871 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.971 -6.894 -10.784 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -8.816 -6.918 -9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -9.218 -5.240 -9.675 1.00 0.00 H new ATOM 77 N ARG A 6 -5.995 -5.503 -7.935 1.00 0.00 N ATOM 78 CA ARG A 6 -6.057 -5.618 -6.487 1.00 0.00 C ATOM 79 C ARG A 6 -5.327 -4.444 -5.830 1.00 0.00 C ATOM 80 O ARG A 6 -5.667 -4.041 -4.719 1.00 0.00 O ATOM 81 CB ARG A 6 -5.431 -6.930 -6.011 1.00 0.00 C ATOM 82 CG ARG A 6 -6.390 -8.103 -6.223 1.00 0.00 C ATOM 83 CD ARG A 6 -5.732 -9.427 -5.827 1.00 0.00 C ATOM 84 NE ARG A 6 -6.769 -10.449 -5.563 1.00 0.00 N ATOM 85 CZ ARG A 6 -6.503 -11.724 -5.209 1.00 0.00 C ATOM 86 NH1 ARG A 6 -5.228 -12.146 -5.074 1.00 0.00 N ATOM 87 NH2 ARG A 6 -7.508 -12.553 -4.998 1.00 0.00 N ATOM 0 H ARG A 6 -5.169 -5.924 -8.361 1.00 0.00 H new ATOM 0 HA ARG A 6 -7.108 -5.605 -6.198 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.503 -7.112 -6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.174 -6.852 -4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -7.293 -7.950 -5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.696 -8.143 -7.268 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.070 -9.766 -6.624 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.116 -9.285 -4.939 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.747 -10.172 -5.654 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.457 -11.500 -5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.036 -13.111 -4.806 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.469 -12.227 -5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.324 -13.520 -4.730 1.00 0.00 H new ATOM 100 N VAL A 7 -4.338 -3.929 -6.545 1.00 0.00 N ATOM 101 CA VAL A 7 -3.558 -2.810 -6.046 1.00 0.00 C ATOM 102 C VAL A 7 -4.427 -1.551 -6.036 1.00 0.00 C ATOM 103 O VAL A 7 -4.458 -0.822 -5.046 1.00 0.00 O ATOM 104 CB VAL A 7 -2.283 -2.649 -6.876 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.485 -1.424 -6.425 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.425 -3.915 -6.815 1.00 0.00 C ATOM 0 H VAL A 7 -4.059 -4.266 -7.466 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.241 -2.994 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.577 -2.493 -7.914 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.584 -1.333 -7.032 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.095 -0.528 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.207 -1.536 -5.377 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.525 -3.774 -7.413 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.145 -4.116 -5.781 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.993 -4.759 -7.207 1.00 0.00 H new ATOM 116 N LYS A 8 -5.112 -1.335 -7.149 1.00 0.00 N ATOM 117 CA LYS A 8 -5.980 -0.177 -7.281 1.00 0.00 C ATOM 118 C LYS A 8 -7.151 -0.309 -6.306 1.00 0.00 C ATOM 119 O LYS A 8 -7.913 0.637 -6.114 1.00 0.00 O ATOM 120 CB LYS A 8 -6.410 0.007 -8.738 1.00 0.00 C ATOM 121 CG LYS A 8 -7.107 -1.248 -9.267 1.00 0.00 C ATOM 122 CD LYS A 8 -8.362 -1.563 -8.450 1.00 0.00 C ATOM 123 CE LYS A 8 -9.450 -2.178 -9.332 1.00 0.00 C ATOM 124 NZ LYS A 8 -10.791 -1.906 -8.766 1.00 0.00 N ATOM 0 H LYS A 8 -5.084 -1.942 -7.968 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.444 0.734 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.082 0.861 -8.817 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.538 0.229 -9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.376 -1.105 -10.314 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.421 -2.094 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.111 -2.251 -7.642 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.737 -0.651 -7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.384 -1.768 -10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -9.295 -3.254 -9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -11.308 -2.801 -8.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.690 -1.444 -7.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.319 -1.282 -9.409 1.00 0.00 H new ATOM 137 N LYS A 9 -7.259 -1.491 -5.717 1.00 0.00 N ATOM 138 CA LYS A 9 -8.325 -1.760 -4.767 1.00 0.00 C ATOM 139 C LYS A 9 -7.899 -1.275 -3.379 1.00 0.00 C ATOM 140 O LYS A 9 -8.520 -0.375 -2.815 1.00 0.00 O ATOM 141 CB LYS A 9 -8.720 -3.237 -4.808 1.00 0.00 C ATOM 142 CG LYS A 9 -10.241 -3.398 -4.812 1.00 0.00 C ATOM 143 CD LYS A 9 -10.816 -3.213 -3.406 1.00 0.00 C ATOM 144 CE LYS A 9 -12.345 -3.253 -3.428 1.00 0.00 C ATOM 145 NZ LYS A 9 -12.872 -3.664 -2.108 1.00 0.00 N ATOM 0 H LYS A 9 -6.625 -2.274 -5.880 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.224 -1.207 -5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.299 -3.705 -5.698 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.298 -3.754 -3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.686 -2.669 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.505 -4.386 -5.189 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -10.438 -3.996 -2.749 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.480 -2.261 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.737 -2.271 -3.693 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -12.685 -3.949 -4.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -13.911 -3.686 -2.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.513 -4.611 -1.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.563 -2.985 -1.384 1.00 0.00 H new ATOM 158 N ILE A 10 -6.844 -1.893 -2.870 1.00 0.00 N ATOM 159 CA ILE A 10 -6.328 -1.536 -1.559 1.00 0.00 C ATOM 160 C ILE A 10 -6.028 -0.036 -1.525 1.00 0.00 C ATOM 161 O ILE A 10 -6.295 0.632 -0.527 1.00 0.00 O ATOM 162 CB ILE A 10 -5.126 -2.412 -1.199 1.00 0.00 C ATOM 163 CG1 ILE A 10 -5.578 -3.797 -0.734 1.00 0.00 C ATOM 164 CG2 ILE A 10 -4.235 -1.721 -0.165 1.00 0.00 C ATOM 165 CD1 ILE A 10 -4.602 -4.375 0.294 1.00 0.00 C ATOM 0 H ILE A 10 -6.332 -2.639 -3.341 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.076 -1.730 -0.790 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.525 -2.555 -2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.575 -3.731 -0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.649 -4.467 -1.591 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.388 -2.364 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.871 -0.777 -0.571 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.811 -1.528 0.740 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.946 -5.360 0.609 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.612 -4.462 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.552 -3.715 1.160 1.00 0.00 H new ATOM 177 N ILE A 11 -5.478 0.450 -2.628 1.00 0.00 N ATOM 178 CA ILE A 11 -5.139 1.859 -2.737 1.00 0.00 C ATOM 179 C ILE A 11 -6.363 2.703 -2.378 1.00 0.00 C ATOM 180 O ILE A 11 -6.230 3.789 -1.817 1.00 0.00 O ATOM 181 CB ILE A 11 -4.564 2.166 -4.121 1.00 0.00 C ATOM 182 CG1 ILE A 11 -3.270 1.387 -4.363 1.00 0.00 C ATOM 183 CG2 ILE A 11 -4.371 3.672 -4.313 1.00 0.00 C ATOM 184 CD1 ILE A 11 -2.045 2.241 -4.031 1.00 0.00 C ATOM 0 H ILE A 11 -5.259 -0.107 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.354 2.118 -2.027 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.283 1.835 -4.870 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.265 0.485 -3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.223 1.067 -5.404 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.961 3.863 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.332 4.177 -4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.683 4.050 -3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.139 1.663 -4.212 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -2.040 3.130 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.082 2.539 -2.983 1.00 0.00 H new ATOM 196 N GLY A 12 -7.529 2.171 -2.716 1.00 0.00 N ATOM 197 CA GLY A 12 -8.776 2.862 -2.437 1.00 0.00 C ATOM 198 C GLY A 12 -9.122 2.787 -0.948 1.00 0.00 C ATOM 199 O GLY A 12 -10.073 3.424 -0.496 1.00 0.00 O ATOM 0 H GLY A 12 -7.636 1.269 -3.181 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.695 3.905 -2.743 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.581 2.419 -3.024 1.00 0.00 H new ATOM 203 N GLN A 13 -8.332 2.005 -0.228 1.00 0.00 N ATOM 204 CA GLN A 13 -8.543 1.839 1.200 1.00 0.00 C ATOM 205 C GLN A 13 -7.423 2.523 1.985 1.00 0.00 C ATOM 206 O GLN A 13 -7.666 3.110 3.038 1.00 0.00 O ATOM 207 CB GLN A 13 -8.648 0.358 1.570 1.00 0.00 C ATOM 208 CG GLN A 13 -10.030 0.032 2.140 1.00 0.00 C ATOM 209 CD GLN A 13 -9.915 -0.849 3.386 1.00 0.00 C ATOM 210 OE1 GLN A 13 -8.857 -1.355 3.725 1.00 0.00 O ATOM 211 NE2 GLN A 13 -11.059 -1.004 4.046 1.00 0.00 N ATOM 0 H GLN A 13 -7.544 1.479 -0.607 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.488 2.313 1.466 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.460 -0.255 0.688 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.880 0.107 2.302 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.551 0.956 2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.628 -0.477 1.384 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.908 -0.552 3.707 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.087 -1.575 4.891 1.00 0.00 H new ATOM 220 N GLN A 14 -6.218 2.424 1.443 1.00 0.00 N ATOM 221 CA GLN A 14 -5.059 3.026 2.079 1.00 0.00 C ATOM 222 C GLN A 14 -5.429 4.383 2.682 1.00 0.00 C ATOM 223 O GLN A 14 -5.163 4.639 3.855 1.00 0.00 O ATOM 224 CB GLN A 14 -3.899 3.163 1.091 1.00 0.00 C ATOM 225 CG GLN A 14 -3.520 1.804 0.499 1.00 0.00 C ATOM 226 CD GLN A 14 -2.223 1.900 -0.308 1.00 0.00 C ATOM 227 OE1 GLN A 14 -1.875 2.935 -0.851 1.00 0.00 O ATOM 228 NE2 GLN A 14 -1.531 0.765 -0.355 1.00 0.00 N ATOM 0 H GLN A 14 -6.019 1.935 0.570 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.730 2.370 2.885 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -4.178 3.848 0.290 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.036 3.597 1.596 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.401 1.075 1.300 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -4.325 1.445 -0.142 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -1.881 -0.066 0.123 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -0.651 0.725 -0.869 1.00 0.00 H new ATOM 237 N LEU A 15 -6.037 5.217 1.851 1.00 0.00 N ATOM 238 CA LEU A 15 -6.446 6.542 2.287 1.00 0.00 C ATOM 239 C LEU A 15 -7.973 6.638 2.246 1.00 0.00 C ATOM 240 O LEU A 15 -8.579 7.302 3.086 1.00 0.00 O ATOM 241 CB LEU A 15 -5.740 7.619 1.462 1.00 0.00 C ATOM 242 CG LEU A 15 -6.386 7.967 0.119 1.00 0.00 C ATOM 243 CD1 LEU A 15 -6.485 9.482 -0.066 1.00 0.00 C ATOM 244 CD2 LEU A 15 -5.642 7.296 -1.037 1.00 0.00 C ATOM 0 H LEU A 15 -6.256 5.001 0.879 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.142 6.714 3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -5.682 8.528 2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.716 7.294 1.277 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.403 7.576 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -6.948 9.702 -1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.091 9.907 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.487 9.918 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.121 7.559 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.606 7.636 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.668 6.214 -0.907 1.00 0.00 H new ATOM 256 N GLY A 16 -8.550 5.966 1.261 1.00 0.00 N ATOM 257 CA GLY A 16 -9.994 5.967 1.100 1.00 0.00 C ATOM 258 C GLY A 16 -10.403 6.715 -0.170 1.00 0.00 C ATOM 259 O GLY A 16 -10.829 7.867 -0.107 1.00 0.00 O ATOM 0 H GLY A 16 -8.044 5.417 0.566 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.359 4.941 1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -10.460 6.434 1.968 1.00 0.00 H new ATOM 263 N VAL A 17 -10.261 6.028 -1.294 1.00 0.00 N ATOM 264 CA VAL A 17 -10.610 6.612 -2.578 1.00 0.00 C ATOM 265 C VAL A 17 -11.055 5.504 -3.534 1.00 0.00 C ATOM 266 O VAL A 17 -11.096 4.333 -3.157 1.00 0.00 O ATOM 267 CB VAL A 17 -9.436 7.431 -3.117 1.00 0.00 C ATOM 268 CG1 VAL A 17 -9.568 8.904 -2.724 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.101 6.854 -2.642 1.00 0.00 C ATOM 0 H VAL A 17 -9.909 5.072 -1.342 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.447 7.302 -2.469 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.458 7.372 -4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -8.720 9.464 -3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -10.493 9.309 -3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -9.584 8.991 -1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.283 7.455 -3.039 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.066 6.868 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.002 5.828 -2.995 1.00 0.00 H new ATOM 279 N LYS A 18 -11.378 5.911 -4.753 1.00 0.00 N ATOM 280 CA LYS A 18 -11.818 4.967 -5.766 1.00 0.00 C ATOM 281 C LYS A 18 -10.619 4.544 -6.617 1.00 0.00 C ATOM 282 O LYS A 18 -9.504 4.431 -6.113 1.00 0.00 O ATOM 283 CB LYS A 18 -12.974 5.554 -6.579 1.00 0.00 C ATOM 284 CG LYS A 18 -14.001 4.475 -6.928 1.00 0.00 C ATOM 285 CD LYS A 18 -15.308 5.101 -7.420 1.00 0.00 C ATOM 286 CE LYS A 18 -16.519 4.359 -6.851 1.00 0.00 C ATOM 287 NZ LYS A 18 -17.657 4.425 -7.796 1.00 0.00 N ATOM 0 H LYS A 18 -11.344 6.882 -5.062 1.00 0.00 H new ATOM 0 HA LYS A 18 -12.213 4.064 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -13.456 6.350 -6.011 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -12.588 6.004 -7.494 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -13.596 3.818 -7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -14.197 3.857 -6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -15.347 6.149 -7.124 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.340 5.076 -8.509 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.258 3.318 -6.658 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -16.806 4.798 -5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -18.471 3.917 -7.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -17.916 5.419 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -17.385 3.986 -8.698 1.00 0.00 H new ATOM 300 N GLN A 19 -10.891 4.322 -7.895 1.00 0.00 N ATOM 301 CA GLN A 19 -9.849 3.914 -8.822 1.00 0.00 C ATOM 302 C GLN A 19 -9.546 5.042 -9.810 1.00 0.00 C ATOM 303 O GLN A 19 -8.383 5.342 -10.077 1.00 0.00 O ATOM 304 CB GLN A 19 -10.242 2.631 -9.558 1.00 0.00 C ATOM 305 CG GLN A 19 -10.344 1.452 -8.589 1.00 0.00 C ATOM 306 CD GLN A 19 -11.716 1.416 -7.912 1.00 0.00 C ATOM 307 OE1 GLN A 19 -11.893 1.853 -6.787 1.00 0.00 O ATOM 308 NE2 GLN A 19 -12.673 0.872 -8.658 1.00 0.00 N ATOM 0 H GLN A 19 -11.818 4.417 -8.310 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.944 3.704 -8.252 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -11.197 2.775 -10.063 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.504 2.410 -10.329 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.175 0.519 -9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.563 1.530 -7.833 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.456 0.526 -9.593 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -13.624 0.801 -8.296 1.00 0.00 H new ATOM 317 N GLU A 20 -10.612 5.637 -10.326 1.00 0.00 N ATOM 318 CA GLU A 20 -10.474 6.725 -11.278 1.00 0.00 C ATOM 319 C GLU A 20 -9.867 7.953 -10.596 1.00 0.00 C ATOM 320 O GLU A 20 -9.254 8.793 -11.254 1.00 0.00 O ATOM 321 CB GLU A 20 -11.820 7.064 -11.922 1.00 0.00 C ATOM 322 CG GLU A 20 -11.810 6.738 -13.417 1.00 0.00 C ATOM 323 CD GLU A 20 -12.996 7.394 -14.128 1.00 0.00 C ATOM 324 OE1 GLU A 20 -13.090 8.630 -14.166 1.00 0.00 O ATOM 325 OE2 GLU A 20 -13.838 6.571 -14.655 1.00 0.00 O ATOM 0 H GLU A 20 -11.575 5.386 -10.102 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.800 6.404 -12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.614 6.503 -11.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.040 8.122 -11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.877 7.084 -13.862 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -11.849 5.658 -13.558 1.00 0.00 H new ATOM 333 N GLU A 21 -10.060 8.019 -9.287 1.00 0.00 N ATOM 334 CA GLU A 21 -9.539 9.131 -8.509 1.00 0.00 C ATOM 335 C GLU A 21 -8.061 8.905 -8.184 1.00 0.00 C ATOM 336 O GLU A 21 -7.366 9.829 -7.765 1.00 0.00 O ATOM 337 CB GLU A 21 -10.356 9.337 -7.233 1.00 0.00 C ATOM 338 CG GLU A 21 -11.377 10.463 -7.410 1.00 0.00 C ATOM 339 CD GLU A 21 -12.802 9.951 -7.189 1.00 0.00 C ATOM 340 OE1 GLU A 21 -13.450 9.491 -8.140 1.00 0.00 O ATOM 341 OE2 GLU A 21 -13.231 10.044 -5.976 1.00 0.00 O ATOM 0 H GLU A 21 -10.570 7.321 -8.745 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.624 10.039 -9.106 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.871 8.412 -6.974 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.689 9.574 -6.404 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.162 11.267 -6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.289 10.884 -8.412 1.00 0.00 H new ATOM 349 N VAL A 22 -7.625 7.671 -8.389 1.00 0.00 N ATOM 350 CA VAL A 22 -6.242 7.312 -8.123 1.00 0.00 C ATOM 351 C VAL A 22 -5.715 6.447 -9.270 1.00 0.00 C ATOM 352 O VAL A 22 -5.001 5.472 -9.039 1.00 0.00 O ATOM 353 CB VAL A 22 -6.133 6.627 -6.759 1.00 0.00 C ATOM 354 CG1 VAL A 22 -4.669 6.423 -6.364 1.00 0.00 C ATOM 355 CG2 VAL A 22 -6.885 7.418 -5.687 1.00 0.00 C ATOM 0 H VAL A 22 -8.205 6.907 -8.736 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.618 8.204 -8.075 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.599 5.645 -6.839 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.619 5.934 -5.391 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.175 5.799 -7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.168 7.390 -6.311 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.792 6.910 -4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.462 8.420 -5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.938 7.489 -5.959 1.00 0.00 H new ATOM 365 N THR A 23 -6.086 6.836 -10.481 1.00 0.00 N ATOM 366 CA THR A 23 -5.659 6.109 -11.664 1.00 0.00 C ATOM 367 C THR A 23 -4.193 5.689 -11.532 1.00 0.00 C ATOM 368 O THR A 23 -3.461 6.230 -10.705 1.00 0.00 O ATOM 369 CB THR A 23 -5.930 6.990 -12.885 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.619 8.307 -12.438 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.417 7.058 -13.238 1.00 0.00 C ATOM 0 H THR A 23 -6.678 7.645 -10.668 1.00 0.00 H new ATOM 0 HA THR A 23 -6.221 5.183 -11.782 1.00 0.00 H new ATOM 0 HB THR A 23 -5.371 6.609 -13.740 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.765 8.944 -13.169 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.555 7.696 -14.111 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.785 6.056 -13.459 1.00 0.00 H new ATOM 0 HG23 THR A 23 -7.972 7.471 -12.396 1.00 0.00 H new ATOM 379 N ASN A 24 -3.810 4.727 -12.359 1.00 0.00 N ATOM 380 CA ASN A 24 -2.445 4.228 -12.345 1.00 0.00 C ATOM 381 C ASN A 24 -1.497 5.337 -12.807 1.00 0.00 C ATOM 382 O ASN A 24 -1.002 5.306 -13.933 1.00 0.00 O ATOM 383 CB ASN A 24 -2.283 3.041 -13.295 1.00 0.00 C ATOM 384 CG ASN A 24 -2.971 3.312 -14.634 1.00 0.00 C ATOM 385 OD1 ASN A 24 -4.065 3.848 -14.702 1.00 0.00 O ATOM 386 ND2 ASN A 24 -2.272 2.912 -15.693 1.00 0.00 N ATOM 0 H ASN A 24 -4.421 4.280 -13.043 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.212 3.910 -11.329 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.224 2.845 -13.460 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.706 2.146 -12.839 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.646 3.048 -16.632 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -1.362 2.470 -15.566 1.00 0.00 H new ATOM 393 N ASN A 25 -1.271 6.289 -11.914 1.00 0.00 N ATOM 394 CA ASN A 25 -0.391 7.405 -12.216 1.00 0.00 C ATOM 395 C ASN A 25 -0.459 8.425 -11.078 1.00 0.00 C ATOM 396 O ASN A 25 0.533 9.084 -10.770 1.00 0.00 O ATOM 397 CB ASN A 25 -0.816 8.107 -13.507 1.00 0.00 C ATOM 398 CG ASN A 25 0.395 8.404 -14.394 1.00 0.00 C ATOM 399 OD1 ASN A 25 1.483 7.888 -14.196 1.00 0.00 O ATOM 400 ND2 ASN A 25 0.147 9.260 -15.381 1.00 0.00 N ATOM 0 H ASN A 25 -1.682 6.311 -10.981 1.00 0.00 H new ATOM 0 HA ASN A 25 0.620 7.015 -12.334 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.524 7.481 -14.050 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.332 9.037 -13.267 1.00 0.00 H new ATOM 0 HD21 ASN A 25 0.891 9.521 -16.029 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -0.787 9.655 -15.491 1.00 0.00 H new ATOM 407 N ALA A 26 -1.640 8.524 -10.485 1.00 0.00 N ATOM 408 CA ALA A 26 -1.850 9.453 -9.387 1.00 0.00 C ATOM 409 C ALA A 26 -0.613 9.461 -8.487 1.00 0.00 C ATOM 410 O ALA A 26 -0.114 8.405 -8.102 1.00 0.00 O ATOM 411 CB ALA A 26 -3.121 9.067 -8.628 1.00 0.00 C ATOM 0 H ALA A 26 -2.461 7.977 -10.744 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.990 10.466 -9.763 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.279 9.763 -7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.975 9.106 -9.305 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.016 8.056 -8.233 1.00 0.00 H new ATOM 417 N SER A 27 -0.154 10.665 -8.178 1.00 0.00 N ATOM 418 CA SER A 27 1.016 10.825 -7.330 1.00 0.00 C ATOM 419 C SER A 27 0.620 10.677 -5.860 1.00 0.00 C ATOM 420 O SER A 27 -0.535 10.390 -5.550 1.00 0.00 O ATOM 421 CB SER A 27 1.686 12.180 -7.566 1.00 0.00 C ATOM 422 OG SER A 27 1.336 12.736 -8.830 1.00 0.00 O ATOM 0 H SER A 27 -0.571 11.539 -8.499 1.00 0.00 H new ATOM 0 HA SER A 27 1.734 10.046 -7.586 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.397 12.870 -6.774 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.768 12.064 -7.508 1.00 0.00 H new ATOM 0 HG SER A 27 1.782 13.601 -8.942 1.00 0.00 H new ATOM 428 N PHE A 28 1.601 10.880 -4.993 1.00 0.00 N ATOM 429 CA PHE A 28 1.370 10.774 -3.562 1.00 0.00 C ATOM 430 C PHE A 28 1.713 12.085 -2.852 1.00 0.00 C ATOM 431 O PHE A 28 0.834 12.745 -2.300 1.00 0.00 O ATOM 432 CB PHE A 28 2.292 9.669 -3.041 1.00 0.00 C ATOM 433 CG PHE A 28 1.589 8.329 -2.811 1.00 0.00 C ATOM 434 CD1 PHE A 28 1.241 7.554 -3.873 1.00 0.00 C ATOM 435 CD2 PHE A 28 1.313 7.915 -1.546 1.00 0.00 C ATOM 436 CE1 PHE A 28 0.589 6.310 -3.659 1.00 0.00 C ATOM 437 CE2 PHE A 28 0.661 6.671 -1.333 1.00 0.00 C ATOM 438 CZ PHE A 28 0.313 5.895 -2.394 1.00 0.00 C ATOM 0 H PHE A 28 2.558 11.117 -5.254 1.00 0.00 H new ATOM 0 HA PHE A 28 0.320 10.553 -3.370 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.106 9.524 -3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.742 9.997 -2.104 1.00 0.00 H new ATOM 0 HD1 PHE A 28 1.460 7.884 -4.878 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.589 8.531 -0.703 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.312 5.694 -4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.442 6.342 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.183 4.949 -2.232 1.00 0.00 H new ATOM 448 N VAL A 29 2.994 12.423 -2.889 1.00 0.00 N ATOM 449 CA VAL A 29 3.464 13.644 -2.256 1.00 0.00 C ATOM 450 C VAL A 29 3.050 14.846 -3.107 1.00 0.00 C ATOM 451 O VAL A 29 3.009 15.974 -2.616 1.00 0.00 O ATOM 452 CB VAL A 29 4.974 13.565 -2.026 1.00 0.00 C ATOM 453 CG1 VAL A 29 5.459 14.735 -1.167 1.00 0.00 C ATOM 454 CG2 VAL A 29 5.364 12.226 -1.398 1.00 0.00 C ATOM 0 H VAL A 29 3.721 11.873 -3.347 1.00 0.00 H new ATOM 0 HA VAL A 29 3.005 13.768 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 29 5.465 13.635 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.536 14.655 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 29 5.231 15.675 -1.670 1.00 0.00 H new ATOM 0 HG13 VAL A 29 4.956 14.709 -0.200 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.443 12.196 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.858 12.113 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.069 11.413 -2.062 1.00 0.00 H new ATOM 464 N GLU A 30 2.755 14.566 -4.367 1.00 0.00 N ATOM 465 CA GLU A 30 2.347 15.610 -5.291 1.00 0.00 C ATOM 466 C GLU A 30 0.833 15.567 -5.505 1.00 0.00 C ATOM 467 O GLU A 30 0.252 16.505 -6.050 1.00 0.00 O ATOM 468 CB GLU A 30 3.093 15.489 -6.621 1.00 0.00 C ATOM 469 CG GLU A 30 3.940 16.733 -6.891 1.00 0.00 C ATOM 470 CD GLU A 30 3.667 17.290 -8.290 1.00 0.00 C ATOM 471 OE1 GLU A 30 3.695 16.536 -9.273 1.00 0.00 O ATOM 472 OE2 GLU A 30 3.419 18.555 -8.334 1.00 0.00 O ATOM 0 H GLU A 30 2.790 13.630 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 30 2.605 16.575 -4.855 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.732 14.606 -6.604 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.378 15.349 -7.432 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.721 17.495 -6.143 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.997 16.485 -6.794 1.00 0.00 H new ATOM 480 N ASP A 31 0.236 14.468 -5.066 1.00 0.00 N ATOM 481 CA ASP A 31 -1.199 14.290 -5.203 1.00 0.00 C ATOM 482 C ASP A 31 -1.851 14.350 -3.820 1.00 0.00 C ATOM 483 O ASP A 31 -2.590 15.285 -3.517 1.00 0.00 O ATOM 484 CB ASP A 31 -1.529 12.931 -5.823 1.00 0.00 C ATOM 485 CG ASP A 31 -2.777 12.910 -6.708 1.00 0.00 C ATOM 486 OD1 ASP A 31 -2.999 13.818 -7.522 1.00 0.00 O ATOM 487 OD2 ASP A 31 -3.552 11.893 -6.533 1.00 0.00 O ATOM 0 H ASP A 31 0.721 13.692 -4.615 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.576 15.082 -5.849 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -0.676 12.602 -6.416 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.658 12.204 -5.021 1.00 0.00 H new ATOM 493 N LEU A 32 -1.553 13.338 -3.017 1.00 0.00 N ATOM 494 CA LEU A 32 -2.100 13.264 -1.673 1.00 0.00 C ATOM 495 C LEU A 32 -1.067 13.795 -0.676 1.00 0.00 C ATOM 496 O LEU A 32 -1.059 13.395 0.487 1.00 0.00 O ATOM 497 CB LEU A 32 -2.576 11.842 -1.367 1.00 0.00 C ATOM 498 CG LEU A 32 -4.003 11.505 -1.801 1.00 0.00 C ATOM 499 CD1 LEU A 32 -4.172 9.998 -2.006 1.00 0.00 C ATOM 500 CD2 LEU A 32 -5.025 12.067 -0.811 1.00 0.00 C ATOM 0 H LEU A 32 -0.940 12.563 -3.272 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.983 13.897 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.895 11.141 -1.850 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.495 11.676 -0.293 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.190 11.984 -2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.196 9.785 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.482 9.656 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -3.959 9.478 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.031 11.813 -1.144 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.850 11.638 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.923 13.151 -0.759 1.00 0.00 H new ATOM 512 N GLY A 33 -0.221 14.688 -1.169 1.00 0.00 N ATOM 513 CA GLY A 33 0.813 15.277 -0.336 1.00 0.00 C ATOM 514 C GLY A 33 1.421 14.235 0.604 1.00 0.00 C ATOM 515 O GLY A 33 1.901 14.573 1.685 1.00 0.00 O ATOM 0 H GLY A 33 -0.231 15.018 -2.134 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.594 15.703 -0.966 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.392 16.096 0.247 1.00 0.00 H new ATOM 519 N ALA A 34 1.380 12.987 0.158 1.00 0.00 N ATOM 520 CA ALA A 34 1.921 11.893 0.946 1.00 0.00 C ATOM 521 C ALA A 34 1.321 11.938 2.353 1.00 0.00 C ATOM 522 O ALA A 34 1.756 12.724 3.193 1.00 0.00 O ATOM 523 CB ALA A 34 3.449 11.981 0.961 1.00 0.00 C ATOM 0 H ALA A 34 0.981 12.710 -0.739 1.00 0.00 H new ATOM 0 HA ALA A 34 1.654 10.933 0.504 1.00 0.00 H new ATOM 0 HB1 ALA A 34 3.855 11.160 1.552 1.00 0.00 H new ATOM 0 HB2 ALA A 34 3.827 11.915 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.754 12.930 1.401 1.00 0.00 H new ATOM 529 N ASP A 35 0.331 11.084 2.567 1.00 0.00 N ATOM 530 CA ASP A 35 -0.334 11.016 3.857 1.00 0.00 C ATOM 531 C ASP A 35 0.245 9.852 4.663 1.00 0.00 C ATOM 532 O ASP A 35 0.393 8.746 4.145 1.00 0.00 O ATOM 533 CB ASP A 35 -1.836 10.775 3.691 1.00 0.00 C ATOM 534 CG ASP A 35 -2.492 11.548 2.545 1.00 0.00 C ATOM 535 OD1 ASP A 35 -2.328 12.771 2.423 1.00 0.00 O ATOM 536 OD2 ASP A 35 -3.207 10.832 1.745 1.00 0.00 O ATOM 0 H ASP A 35 -0.027 10.433 1.868 1.00 0.00 H new ATOM 0 HA ASP A 35 -0.176 11.966 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.002 9.709 3.533 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.337 11.041 4.622 1.00 0.00 H new ATOM 542 N SER A 36 0.558 10.140 5.918 1.00 0.00 N ATOM 543 CA SER A 36 1.118 9.131 6.801 1.00 0.00 C ATOM 544 C SER A 36 0.325 7.828 6.675 1.00 0.00 C ATOM 545 O SER A 36 0.908 6.756 6.521 1.00 0.00 O ATOM 546 CB SER A 36 1.122 9.612 8.254 1.00 0.00 C ATOM 547 OG SER A 36 -0.196 9.710 8.788 1.00 0.00 O ATOM 0 H SER A 36 0.434 11.058 6.344 1.00 0.00 H new ATOM 0 HA SER A 36 2.151 8.951 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.709 8.924 8.862 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.610 10.585 8.312 1.00 0.00 H new ATOM 0 HG SER A 36 -0.150 10.018 9.717 1.00 0.00 H new ATOM 553 N LEU A 37 -0.991 7.964 6.747 1.00 0.00 N ATOM 554 CA LEU A 37 -1.869 6.811 6.643 1.00 0.00 C ATOM 555 C LEU A 37 -1.609 6.095 5.316 1.00 0.00 C ATOM 556 O LEU A 37 -1.647 4.868 5.250 1.00 0.00 O ATOM 557 CB LEU A 37 -3.327 7.228 6.841 1.00 0.00 C ATOM 558 CG LEU A 37 -3.634 8.006 8.123 1.00 0.00 C ATOM 559 CD1 LEU A 37 -4.986 8.716 8.023 1.00 0.00 C ATOM 560 CD2 LEU A 37 -3.555 7.095 9.349 1.00 0.00 C ATOM 0 H LEU A 37 -1.470 8.855 6.876 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.655 6.097 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.629 7.837 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.946 6.331 6.827 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.873 8.777 8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.180 9.261 8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.969 9.414 7.186 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.773 7.979 7.865 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.777 7.672 10.246 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.279 6.287 9.249 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.552 6.676 9.427 1.00 0.00 H new ATOM 572 N ASP A 38 -1.350 6.894 4.290 1.00 0.00 N ATOM 573 CA ASP A 38 -1.084 6.352 2.969 1.00 0.00 C ATOM 574 C ASP A 38 0.286 5.670 2.968 1.00 0.00 C ATOM 575 O ASP A 38 0.410 4.521 2.549 1.00 0.00 O ATOM 576 CB ASP A 38 -1.061 7.460 1.914 1.00 0.00 C ATOM 577 CG ASP A 38 -2.285 7.506 0.998 1.00 0.00 C ATOM 578 OD1 ASP A 38 -2.905 8.565 0.813 1.00 0.00 O ATOM 579 OD2 ASP A 38 -2.602 6.380 0.454 1.00 0.00 O ATOM 0 H ASP A 38 -1.319 7.912 4.348 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.876 5.642 2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.968 8.421 2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.170 7.337 1.299 1.00 0.00 H new ATOM 585 N THR A 39 1.279 6.408 3.443 1.00 0.00 N ATOM 586 CA THR A 39 2.634 5.888 3.502 1.00 0.00 C ATOM 587 C THR A 39 2.709 4.700 4.464 1.00 0.00 C ATOM 588 O THR A 39 3.560 3.825 4.311 1.00 0.00 O ATOM 589 CB THR A 39 3.566 7.040 3.886 1.00 0.00 C ATOM 590 OG1 THR A 39 3.587 7.870 2.728 1.00 0.00 O ATOM 591 CG2 THR A 39 5.019 6.589 4.048 1.00 0.00 C ATOM 0 H THR A 39 1.172 7.361 3.790 1.00 0.00 H new ATOM 0 HA THR A 39 2.952 5.502 2.533 1.00 0.00 H new ATOM 0 HB THR A 39 3.221 7.491 4.816 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.167 8.643 2.890 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.637 7.444 4.320 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.080 5.833 4.831 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.376 6.168 3.108 1.00 0.00 H new ATOM 599 N VAL A 40 1.806 4.708 5.434 1.00 0.00 N ATOM 600 CA VAL A 40 1.759 3.642 6.420 1.00 0.00 C ATOM 601 C VAL A 40 0.959 2.466 5.856 1.00 0.00 C ATOM 602 O VAL A 40 1.362 1.312 5.997 1.00 0.00 O ATOM 603 CB VAL A 40 1.191 4.174 7.738 1.00 0.00 C ATOM 604 CG1 VAL A 40 0.684 3.029 8.618 1.00 0.00 C ATOM 605 CG2 VAL A 40 2.229 5.018 8.481 1.00 0.00 C ATOM 0 H VAL A 40 1.102 5.435 5.558 1.00 0.00 H new ATOM 0 HA VAL A 40 2.763 3.278 6.637 1.00 0.00 H new ATOM 0 HB VAL A 40 0.343 4.817 7.502 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.286 3.434 9.548 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.102 2.487 8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.507 2.350 8.841 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.800 5.384 9.414 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.105 4.408 8.699 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.522 5.864 7.860 1.00 0.00 H new ATOM 615 N GLU A 41 -0.160 2.799 5.230 1.00 0.00 N ATOM 616 CA GLU A 41 -1.019 1.785 4.643 1.00 0.00 C ATOM 617 C GLU A 41 -0.286 1.053 3.518 1.00 0.00 C ATOM 618 O GLU A 41 -0.670 -0.052 3.137 1.00 0.00 O ATOM 619 CB GLU A 41 -2.326 2.399 4.138 1.00 0.00 C ATOM 620 CG GLU A 41 -3.335 2.558 5.277 1.00 0.00 C ATOM 621 CD GLU A 41 -4.499 1.577 5.120 1.00 0.00 C ATOM 622 OE1 GLU A 41 -5.655 1.941 5.381 1.00 0.00 O ATOM 623 OE2 GLU A 41 -4.168 0.400 4.709 1.00 0.00 O ATOM 0 H GLU A 41 -0.492 3.757 5.116 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.272 1.060 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.125 3.371 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.750 1.768 3.357 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.839 2.389 6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.715 3.579 5.291 1.00 0.00 H new ATOM 631 N LEU A 42 0.757 1.699 3.017 1.00 0.00 N ATOM 632 CA LEU A 42 1.548 1.123 1.942 1.00 0.00 C ATOM 633 C LEU A 42 2.498 0.072 2.521 1.00 0.00 C ATOM 634 O LEU A 42 2.852 -0.891 1.842 1.00 0.00 O ATOM 635 CB LEU A 42 2.257 2.223 1.150 1.00 0.00 C ATOM 636 CG LEU A 42 2.368 1.997 -0.359 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.571 3.050 -1.131 1.00 0.00 C ATOM 638 CD2 LEU A 42 3.832 1.950 -0.800 1.00 0.00 C ATOM 0 H LEU A 42 1.073 2.615 3.335 1.00 0.00 H new ATOM 0 HA LEU A 42 0.904 0.612 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.730 3.162 1.319 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.262 2.344 1.554 1.00 0.00 H new ATOM 0 HG LEU A 42 1.930 1.026 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.667 2.866 -2.201 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.521 2.993 -0.846 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.957 4.042 -0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.883 1.788 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.317 2.894 -0.552 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.341 1.134 -0.286 1.00 0.00 H new ATOM 650 N VAL A 43 2.884 0.293 3.769 1.00 0.00 N ATOM 651 CA VAL A 43 3.786 -0.623 4.446 1.00 0.00 C ATOM 652 C VAL A 43 2.992 -1.820 4.970 1.00 0.00 C ATOM 653 O VAL A 43 3.532 -2.917 5.104 1.00 0.00 O ATOM 654 CB VAL A 43 4.552 0.115 5.547 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.845 -0.621 5.903 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.839 1.562 5.140 1.00 0.00 C ATOM 0 H VAL A 43 2.589 1.093 4.329 1.00 0.00 H new ATOM 0 HA VAL A 43 4.532 -1.008 3.751 1.00 0.00 H new ATOM 0 HB VAL A 43 3.923 0.136 6.437 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.370 -0.076 6.687 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.607 -1.625 6.256 1.00 0.00 H new ATOM 0 HG13 VAL A 43 6.481 -0.688 5.020 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.384 2.064 5.940 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.439 1.572 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.898 2.083 4.960 1.00 0.00 H new ATOM 666 N MET A 44 1.722 -1.570 5.251 1.00 0.00 N ATOM 667 CA MET A 44 0.847 -2.614 5.758 1.00 0.00 C ATOM 668 C MET A 44 0.192 -3.385 4.610 1.00 0.00 C ATOM 669 O MET A 44 0.028 -4.601 4.688 1.00 0.00 O ATOM 670 CB MET A 44 -0.237 -1.990 6.638 1.00 0.00 C ATOM 671 CG MET A 44 0.367 -1.391 7.910 1.00 0.00 C ATOM 672 SD MET A 44 0.270 -2.572 9.246 1.00 0.00 S ATOM 673 CE MET A 44 1.665 -2.045 10.227 1.00 0.00 C ATOM 0 H MET A 44 1.277 -0.659 5.137 1.00 0.00 H new ATOM 0 HA MET A 44 1.446 -3.311 6.344 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.762 -1.214 6.080 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.975 -2.747 6.903 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.406 -1.114 7.733 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.165 -0.479 8.180 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.751 -2.681 11.108 1.00 0.00 H new ATOM 0 HE2 MET A 44 2.576 -2.121 9.634 1.00 0.00 H new ATOM 0 HE3 MET A 44 1.520 -1.011 10.539 1.00 0.00 H new ATOM 683 N ALA A 45 -0.165 -2.645 3.571 1.00 0.00 N ATOM 684 CA ALA A 45 -0.799 -3.243 2.408 1.00 0.00 C ATOM 685 C ALA A 45 0.157 -4.257 1.776 1.00 0.00 C ATOM 686 O ALA A 45 -0.245 -5.370 1.441 1.00 0.00 O ATOM 687 CB ALA A 45 -1.213 -2.143 1.429 1.00 0.00 C ATOM 0 H ALA A 45 -0.027 -1.636 3.510 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.703 -3.778 2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.688 -2.592 0.557 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.915 -1.467 1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.331 -1.585 1.114 1.00 0.00 H new ATOM 693 N LEU A 46 1.405 -3.835 1.633 1.00 0.00 N ATOM 694 CA LEU A 46 2.422 -4.692 1.048 1.00 0.00 C ATOM 695 C LEU A 46 2.743 -5.831 2.017 1.00 0.00 C ATOM 696 O LEU A 46 3.128 -6.920 1.595 1.00 0.00 O ATOM 697 CB LEU A 46 3.646 -3.869 0.639 1.00 0.00 C ATOM 698 CG LEU A 46 3.473 -2.975 -0.591 1.00 0.00 C ATOM 699 CD1 LEU A 46 4.598 -1.942 -0.679 1.00 0.00 C ATOM 700 CD2 LEU A 46 3.363 -3.813 -1.866 1.00 0.00 C ATOM 0 H LEU A 46 1.735 -2.911 1.912 1.00 0.00 H new ATOM 0 HA LEU A 46 2.052 -5.149 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.935 -3.241 1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.474 -4.553 0.453 1.00 0.00 H new ATOM 0 HG LEU A 46 2.538 -2.425 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.452 -1.319 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.587 -1.316 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.557 -2.454 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.241 -3.154 -2.725 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.268 -4.407 -1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.501 -4.476 -1.792 1.00 0.00 H new ATOM 712 N GLU A 47 2.572 -5.541 3.298 1.00 0.00 N ATOM 713 CA GLU A 47 2.838 -6.528 4.331 1.00 0.00 C ATOM 714 C GLU A 47 1.755 -7.608 4.325 1.00 0.00 C ATOM 715 O GLU A 47 2.062 -8.799 4.304 1.00 0.00 O ATOM 716 CB GLU A 47 2.945 -5.867 5.707 1.00 0.00 C ATOM 717 CG GLU A 47 4.382 -5.919 6.230 1.00 0.00 C ATOM 718 CD GLU A 47 4.479 -6.800 7.478 1.00 0.00 C ATOM 719 OE1 GLU A 47 4.625 -6.280 8.594 1.00 0.00 O ATOM 720 OE2 GLU A 47 4.396 -8.069 7.257 1.00 0.00 O ATOM 0 H GLU A 47 2.252 -4.636 3.645 1.00 0.00 H new ATOM 0 HA GLU A 47 3.796 -7.001 4.116 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.615 -4.830 5.643 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.280 -6.370 6.409 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.042 -6.307 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.724 -4.911 6.464 1.00 0.00 H new ATOM 728 N GLU A 48 0.511 -7.154 4.343 1.00 0.00 N ATOM 729 CA GLU A 48 -0.620 -8.067 4.340 1.00 0.00 C ATOM 730 C GLU A 48 -0.682 -8.830 3.015 1.00 0.00 C ATOM 731 O GLU A 48 -1.416 -9.809 2.893 1.00 0.00 O ATOM 732 CB GLU A 48 -1.929 -7.320 4.605 1.00 0.00 C ATOM 733 CG GLU A 48 -2.874 -8.159 5.467 1.00 0.00 C ATOM 734 CD GLU A 48 -4.110 -8.583 4.672 1.00 0.00 C ATOM 735 OE1 GLU A 48 -4.528 -7.870 3.748 1.00 0.00 O ATOM 736 OE2 GLU A 48 -4.641 -9.698 5.044 1.00 0.00 O ATOM 0 H GLU A 48 0.261 -6.165 4.360 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.483 -8.788 5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.718 -6.375 5.105 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.412 -7.079 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.351 -9.043 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.179 -7.586 6.342 1.00 0.00 H new ATOM 744 N GLU A 49 0.098 -8.352 2.057 1.00 0.00 N ATOM 745 CA GLU A 49 0.141 -8.977 0.745 1.00 0.00 C ATOM 746 C GLU A 49 1.185 -10.095 0.724 1.00 0.00 C ATOM 747 O GLU A 49 0.838 -11.272 0.634 1.00 0.00 O ATOM 748 CB GLU A 49 0.423 -7.942 -0.346 1.00 0.00 C ATOM 749 CG GLU A 49 -0.324 -8.289 -1.636 1.00 0.00 C ATOM 750 CD GLU A 49 0.637 -8.834 -2.695 1.00 0.00 C ATOM 751 OE1 GLU A 49 0.453 -9.962 -3.177 1.00 0.00 O ATOM 752 OE2 GLU A 49 1.601 -8.040 -3.017 1.00 0.00 O ATOM 0 H GLU A 49 0.705 -7.539 2.162 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.836 -9.415 0.540 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.121 -6.953 -0.001 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.494 -7.898 -0.542 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.097 -9.028 -1.426 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.828 -7.402 -2.019 1.00 0.00 H new ATOM 760 N PHE A 50 2.443 -9.688 0.808 1.00 0.00 N ATOM 761 CA PHE A 50 3.540 -10.641 0.799 1.00 0.00 C ATOM 762 C PHE A 50 4.479 -10.406 1.985 1.00 0.00 C ATOM 763 O PHE A 50 5.658 -10.750 1.924 1.00 0.00 O ATOM 764 CB PHE A 50 4.315 -10.419 -0.501 1.00 0.00 C ATOM 765 CG PHE A 50 4.023 -11.460 -1.584 1.00 0.00 C ATOM 766 CD1 PHE A 50 4.688 -12.646 -1.583 1.00 0.00 C ATOM 767 CD2 PHE A 50 3.100 -11.198 -2.548 1.00 0.00 C ATOM 768 CE1 PHE A 50 4.417 -13.612 -2.588 1.00 0.00 C ATOM 769 CE2 PHE A 50 2.829 -12.164 -3.553 1.00 0.00 C ATOM 770 CZ PHE A 50 3.494 -13.351 -3.552 1.00 0.00 C ATOM 0 H PHE A 50 2.727 -8.711 0.883 1.00 0.00 H new ATOM 0 HA PHE A 50 3.151 -11.657 0.872 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.077 -9.429 -0.889 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.383 -10.427 -0.282 1.00 0.00 H new ATOM 0 HD1 PHE A 50 5.422 -12.853 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.573 -10.255 -2.549 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.944 -14.555 -2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 50 2.095 -11.957 -4.318 1.00 0.00 H new ATOM 0 HZ PHE A 50 3.289 -14.086 -4.317 1.00 0.00 H new ATOM 780 N ASP A 51 3.920 -9.824 3.035 1.00 0.00 N ATOM 781 CA ASP A 51 4.692 -9.540 4.232 1.00 0.00 C ATOM 782 C ASP A 51 6.103 -9.104 3.832 1.00 0.00 C ATOM 783 O ASP A 51 7.086 -9.729 4.229 1.00 0.00 O ATOM 784 CB ASP A 51 4.814 -10.782 5.117 1.00 0.00 C ATOM 785 CG ASP A 51 5.727 -10.622 6.335 1.00 0.00 C ATOM 786 OD1 ASP A 51 6.235 -9.525 6.612 1.00 0.00 O ATOM 787 OD2 ASP A 51 5.912 -11.698 7.022 1.00 0.00 O ATOM 0 H ASP A 51 2.941 -9.541 3.082 1.00 0.00 H new ATOM 0 HA ASP A 51 4.179 -8.753 4.785 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.819 -11.063 5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.185 -11.607 4.510 1.00 0.00 H new ATOM 793 N THR A 52 6.159 -8.035 3.052 1.00 0.00 N ATOM 794 CA THR A 52 7.434 -7.508 2.594 1.00 0.00 C ATOM 795 C THR A 52 7.892 -6.361 3.497 1.00 0.00 C ATOM 796 O THR A 52 9.051 -6.316 3.908 1.00 0.00 O ATOM 797 CB THR A 52 7.278 -7.102 1.127 1.00 0.00 C ATOM 798 OG1 THR A 52 5.920 -6.680 1.026 1.00 0.00 O ATOM 799 CG2 THR A 52 7.368 -8.296 0.175 1.00 0.00 C ATOM 0 H THR A 52 5.342 -7.519 2.725 1.00 0.00 H new ATOM 0 HA THR A 52 8.219 -8.262 2.656 1.00 0.00 H new ATOM 0 HB THR A 52 8.047 -6.374 0.869 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.733 -6.398 0.106 1.00 0.00 H new ATOM 0 HG21 THR A 52 7.251 -7.952 -0.853 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.339 -8.779 0.288 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.579 -9.010 0.411 1.00 0.00 H new ATOM 807 N GLU A 53 6.960 -5.464 3.779 1.00 0.00 N ATOM 808 CA GLU A 53 7.254 -4.320 4.625 1.00 0.00 C ATOM 809 C GLU A 53 8.026 -3.260 3.837 1.00 0.00 C ATOM 810 O GLU A 53 9.249 -3.334 3.723 1.00 0.00 O ATOM 811 CB GLU A 53 8.028 -4.747 5.874 1.00 0.00 C ATOM 812 CG GLU A 53 7.410 -5.998 6.502 1.00 0.00 C ATOM 813 CD GLU A 53 8.452 -6.781 7.304 1.00 0.00 C ATOM 814 OE1 GLU A 53 8.947 -6.285 8.327 1.00 0.00 O ATOM 815 OE2 GLU A 53 8.742 -7.945 6.830 1.00 0.00 O ATOM 0 H GLU A 53 6.000 -5.506 3.437 1.00 0.00 H new ATOM 0 HA GLU A 53 6.311 -3.884 4.953 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.068 -4.943 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.030 -3.934 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.584 -5.712 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.994 -6.634 5.721 1.00 0.00 H new ATOM 823 N ILE A 54 7.280 -2.299 3.313 1.00 0.00 N ATOM 824 CA ILE A 54 7.880 -1.225 2.538 1.00 0.00 C ATOM 825 C ILE A 54 8.423 -0.157 3.489 1.00 0.00 C ATOM 826 O ILE A 54 7.701 0.329 4.359 1.00 0.00 O ATOM 827 CB ILE A 54 6.883 -0.684 1.511 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.554 -0.473 0.153 1.00 0.00 C ATOM 829 CG2 ILE A 54 6.207 0.590 2.021 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.125 0.941 0.038 1.00 0.00 C ATOM 0 H ILE A 54 6.266 -2.241 3.409 1.00 0.00 H new ATOM 0 HA ILE A 54 8.726 -1.599 1.961 1.00 0.00 H new ATOM 0 HB ILE A 54 6.100 -1.429 1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 54 8.352 -1.203 0.020 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.831 -0.643 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.503 0.953 1.272 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.672 0.373 2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.963 1.353 2.209 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.597 1.065 -0.937 1.00 0.00 H new ATOM 0 HD12 ILE A 54 7.320 1.668 0.147 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.866 1.099 0.822 1.00 0.00 H new ATOM 842 N PRO A 55 9.723 0.185 3.287 1.00 0.00 N ATOM 843 CA PRO A 55 10.371 1.186 4.117 1.00 0.00 C ATOM 844 C PRO A 55 9.906 2.595 3.741 1.00 0.00 C ATOM 845 O PRO A 55 8.914 2.756 3.032 1.00 0.00 O ATOM 846 CB PRO A 55 11.860 0.974 3.899 1.00 0.00 C ATOM 847 CG PRO A 55 11.984 0.178 2.610 1.00 0.00 C ATOM 848 CD PRO A 55 10.608 -0.371 2.267 1.00 0.00 C ATOM 0 HA PRO A 55 10.118 1.085 5.172 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.383 1.927 3.821 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.304 0.434 4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.354 0.812 1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.700 -0.635 2.731 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.299 -0.068 1.267 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.600 -1.461 2.287 1.00 0.00 H new ATOM 856 N ASP A 56 10.646 3.578 4.232 1.00 0.00 N ATOM 857 CA ASP A 56 10.322 4.967 3.956 1.00 0.00 C ATOM 858 C ASP A 56 11.139 5.448 2.755 1.00 0.00 C ATOM 859 O ASP A 56 10.823 6.475 2.156 1.00 0.00 O ATOM 860 CB ASP A 56 10.665 5.861 5.150 1.00 0.00 C ATOM 861 CG ASP A 56 9.523 6.754 5.638 1.00 0.00 C ATOM 862 OD1 ASP A 56 8.740 6.365 6.517 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.454 7.910 5.070 1.00 0.00 O ATOM 0 H ASP A 56 11.469 3.440 4.819 1.00 0.00 H new ATOM 0 HA ASP A 56 9.253 5.030 3.754 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.990 5.229 5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.511 6.493 4.880 1.00 0.00 H new ATOM 869 N GLU A 57 12.174 4.684 2.440 1.00 0.00 N ATOM 870 CA GLU A 57 13.039 5.019 1.321 1.00 0.00 C ATOM 871 C GLU A 57 12.423 4.531 0.009 1.00 0.00 C ATOM 872 O GLU A 57 12.147 5.328 -0.886 1.00 0.00 O ATOM 873 CB GLU A 57 14.441 4.438 1.519 1.00 0.00 C ATOM 874 CG GLU A 57 15.280 5.331 2.435 1.00 0.00 C ATOM 875 CD GLU A 57 16.606 4.656 2.794 1.00 0.00 C ATOM 876 OE1 GLU A 57 16.714 4.030 3.859 1.00 0.00 O ATOM 877 OE2 GLU A 57 17.544 4.799 1.921 1.00 0.00 O ATOM 0 H GLU A 57 12.434 3.834 2.940 1.00 0.00 H new ATOM 0 HA GLU A 57 13.135 6.104 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.367 3.439 1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.936 4.335 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.474 6.283 1.942 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.722 5.551 3.345 1.00 0.00 H new ATOM 885 N GLU A 58 12.226 3.222 -0.064 1.00 0.00 N ATOM 886 CA GLU A 58 11.648 2.618 -1.253 1.00 0.00 C ATOM 887 C GLU A 58 10.244 3.174 -1.501 1.00 0.00 C ATOM 888 O GLU A 58 9.700 3.029 -2.595 1.00 0.00 O ATOM 889 CB GLU A 58 11.620 1.093 -1.134 1.00 0.00 C ATOM 890 CG GLU A 58 12.710 0.456 -1.998 1.00 0.00 C ATOM 891 CD GLU A 58 13.064 -0.943 -1.492 1.00 0.00 C ATOM 892 OE1 GLU A 58 12.190 -1.821 -1.433 1.00 0.00 O ATOM 893 OE2 GLU A 58 14.298 -1.105 -1.152 1.00 0.00 O ATOM 0 H GLU A 58 12.456 2.564 0.680 1.00 0.00 H new ATOM 0 HA GLU A 58 12.275 2.872 -2.108 1.00 0.00 H new ATOM 0 HB2 GLU A 58 11.761 0.803 -0.093 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.643 0.719 -1.440 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.371 0.397 -3.032 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.600 1.085 -1.989 1.00 0.00 H new ATOM 901 N ALA A 59 9.698 3.799 -0.469 1.00 0.00 N ATOM 902 CA ALA A 59 8.369 4.378 -0.562 1.00 0.00 C ATOM 903 C ALA A 59 8.387 5.529 -1.569 1.00 0.00 C ATOM 904 O ALA A 59 7.538 5.595 -2.457 1.00 0.00 O ATOM 905 CB ALA A 59 7.908 4.826 0.827 1.00 0.00 C ATOM 0 H ALA A 59 10.152 3.917 0.437 1.00 0.00 H new ATOM 0 HA ALA A 59 7.653 3.638 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.911 5.260 0.757 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.883 3.966 1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.601 5.571 1.218 1.00 0.00 H new ATOM 911 N GLU A 60 9.364 6.407 -1.398 1.00 0.00 N ATOM 912 CA GLU A 60 9.505 7.552 -2.281 1.00 0.00 C ATOM 913 C GLU A 60 9.550 7.095 -3.740 1.00 0.00 C ATOM 914 O GLU A 60 9.019 7.767 -4.623 1.00 0.00 O ATOM 915 CB GLU A 60 10.747 8.371 -1.924 1.00 0.00 C ATOM 916 CG GLU A 60 10.486 9.868 -2.100 1.00 0.00 C ATOM 917 CD GLU A 60 11.795 10.660 -2.076 1.00 0.00 C ATOM 918 OE1 GLU A 60 12.374 10.934 -3.138 1.00 0.00 O ATOM 919 OE2 GLU A 60 12.209 10.993 -0.900 1.00 0.00 O ATOM 0 H GLU A 60 10.066 6.348 -0.660 1.00 0.00 H new ATOM 0 HA GLU A 60 8.636 8.196 -2.149 1.00 0.00 H new ATOM 0 HB2 GLU A 60 11.037 8.168 -0.893 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.581 8.067 -2.556 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.969 10.042 -3.044 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.828 10.222 -1.306 1.00 0.00 H new ATOM 927 N LYS A 61 10.190 5.953 -3.950 1.00 0.00 N ATOM 928 CA LYS A 61 10.311 5.398 -5.287 1.00 0.00 C ATOM 929 C LYS A 61 9.014 4.675 -5.654 1.00 0.00 C ATOM 930 O LYS A 61 8.918 4.067 -6.719 1.00 0.00 O ATOM 931 CB LYS A 61 11.557 4.516 -5.389 1.00 0.00 C ATOM 932 CG LYS A 61 12.397 4.893 -6.611 1.00 0.00 C ATOM 933 CD LYS A 61 12.658 3.672 -7.496 1.00 0.00 C ATOM 934 CE LYS A 61 13.997 3.800 -8.225 1.00 0.00 C ATOM 935 NZ LYS A 61 14.744 2.524 -8.165 1.00 0.00 N ATOM 0 H LYS A 61 10.630 5.398 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 61 10.450 6.194 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.156 4.621 -4.485 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.261 3.469 -5.455 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.882 5.661 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.346 5.321 -6.287 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.657 2.769 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.853 3.566 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.826 4.080 -9.265 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.589 4.596 -7.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.650 2.628 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.923 2.273 -7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.184 1.773 -8.617 1.00 0.00 H new ATOM 948 N ILE A 62 8.048 4.765 -4.752 1.00 0.00 N ATOM 949 CA ILE A 62 6.761 4.127 -4.967 1.00 0.00 C ATOM 950 C ILE A 62 5.644 5.087 -4.552 1.00 0.00 C ATOM 951 O ILE A 62 4.606 4.658 -4.050 1.00 0.00 O ATOM 952 CB ILE A 62 6.706 2.775 -4.253 1.00 0.00 C ATOM 953 CG1 ILE A 62 7.844 1.863 -4.716 1.00 0.00 C ATOM 954 CG2 ILE A 62 5.337 2.116 -4.429 1.00 0.00 C ATOM 955 CD1 ILE A 62 7.861 0.558 -3.918 1.00 0.00 C ATOM 0 H ILE A 62 8.131 5.271 -3.870 1.00 0.00 H new ATOM 0 HA ILE A 62 6.617 3.908 -6.025 1.00 0.00 H new ATOM 0 HB ILE A 62 6.845 2.948 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.729 1.643 -5.777 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.798 2.378 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.326 1.157 -3.912 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.565 2.763 -4.011 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.143 1.958 -5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.679 -0.072 -4.267 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.000 0.780 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.915 0.034 -4.057 1.00 0.00 H new ATOM 967 N THR A 63 5.896 6.368 -4.776 1.00 0.00 N ATOM 968 CA THR A 63 4.925 7.393 -4.432 1.00 0.00 C ATOM 969 C THR A 63 3.907 7.564 -5.561 1.00 0.00 C ATOM 970 O THR A 63 3.355 8.648 -5.745 1.00 0.00 O ATOM 971 CB THR A 63 5.689 8.677 -4.103 1.00 0.00 C ATOM 972 OG1 THR A 63 6.789 8.668 -5.010 1.00 0.00 O ATOM 973 CG2 THR A 63 6.345 8.631 -2.722 1.00 0.00 C ATOM 0 H THR A 63 6.759 6.720 -5.192 1.00 0.00 H new ATOM 0 HA THR A 63 4.345 7.109 -3.554 1.00 0.00 H new ATOM 0 HB THR A 63 5.009 9.527 -4.153 1.00 0.00 H new ATOM 0 HG1 THR A 63 7.604 8.405 -4.533 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.874 9.566 -2.539 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.579 8.492 -1.960 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.051 7.801 -2.682 1.00 0.00 H new ATOM 981 N THR A 64 3.689 6.478 -6.288 1.00 0.00 N ATOM 982 CA THR A 64 2.747 6.494 -7.394 1.00 0.00 C ATOM 983 C THR A 64 1.709 5.383 -7.227 1.00 0.00 C ATOM 984 O THR A 64 1.516 4.869 -6.126 1.00 0.00 O ATOM 985 CB THR A 64 3.544 6.391 -8.696 1.00 0.00 C ATOM 986 OG1 THR A 64 3.895 5.012 -8.779 1.00 0.00 O ATOM 987 CG2 THR A 64 4.890 7.114 -8.617 1.00 0.00 C ATOM 0 H THR A 64 4.149 5.581 -6.133 1.00 0.00 H new ATOM 0 HA THR A 64 2.180 7.424 -7.417 1.00 0.00 H new ATOM 0 HB THR A 64 2.957 6.806 -9.515 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.042 4.768 -9.717 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.415 7.010 -9.566 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.724 8.171 -8.408 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.492 6.677 -7.820 1.00 0.00 H new ATOM 995 N VAL A 65 1.068 5.044 -8.336 1.00 0.00 N ATOM 996 CA VAL A 65 0.055 4.002 -8.326 1.00 0.00 C ATOM 997 C VAL A 65 0.587 2.772 -9.065 1.00 0.00 C ATOM 998 O VAL A 65 0.520 1.657 -8.549 1.00 0.00 O ATOM 999 CB VAL A 65 -1.250 4.537 -8.919 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.343 3.466 -8.892 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -1.705 5.802 -8.190 1.00 0.00 C ATOM 0 H VAL A 65 1.230 5.472 -9.247 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.168 3.696 -7.304 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.063 4.799 -9.960 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.260 3.871 -9.319 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.022 2.603 -9.476 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.527 3.159 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -2.635 6.162 -8.631 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.867 5.576 -7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.938 6.571 -8.283 1.00 0.00 H new ATOM 1011 N GLN A 66 1.104 3.017 -10.260 1.00 0.00 N ATOM 1012 CA GLN A 66 1.648 1.943 -11.074 1.00 0.00 C ATOM 1013 C GLN A 66 2.944 1.414 -10.458 1.00 0.00 C ATOM 1014 O GLN A 66 3.505 0.428 -10.934 1.00 0.00 O ATOM 1015 CB GLN A 66 1.874 2.408 -12.514 1.00 0.00 C ATOM 1016 CG GLN A 66 2.153 1.219 -13.436 1.00 0.00 C ATOM 1017 CD GLN A 66 0.939 0.910 -14.315 1.00 0.00 C ATOM 1018 OE1 GLN A 66 0.225 1.792 -14.763 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.747 -0.387 -14.535 1.00 0.00 N ATOM 0 H GLN A 66 1.158 3.943 -10.684 1.00 0.00 H new ATOM 0 HA GLN A 66 0.923 1.129 -11.099 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.996 2.949 -12.867 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.712 3.104 -12.548 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.016 1.437 -14.065 1.00 0.00 H new ATOM 0 HG3 GLN A 66 2.407 0.343 -12.839 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.384 -1.073 -14.129 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.037 -0.696 -15.110 1.00 0.00 H new ATOM 1028 N ALA A 67 3.384 2.092 -9.408 1.00 0.00 N ATOM 1029 CA ALA A 67 4.604 1.703 -8.722 1.00 0.00 C ATOM 1030 C ALA A 67 4.328 0.468 -7.863 1.00 0.00 C ATOM 1031 O ALA A 67 5.168 -0.426 -7.767 1.00 0.00 O ATOM 1032 CB ALA A 67 5.125 2.882 -7.899 1.00 0.00 C ATOM 0 H ALA A 67 2.917 2.909 -9.015 1.00 0.00 H new ATOM 0 HA ALA A 67 5.381 1.439 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.040 2.590 -7.384 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.333 3.723 -8.560 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.374 3.174 -7.165 1.00 0.00 H new ATOM 1038 N ALA A 68 3.150 0.458 -7.258 1.00 0.00 N ATOM 1039 CA ALA A 68 2.753 -0.653 -6.409 1.00 0.00 C ATOM 1040 C ALA A 68 2.193 -1.780 -7.280 1.00 0.00 C ATOM 1041 O ALA A 68 1.694 -2.778 -6.763 1.00 0.00 O ATOM 1042 CB ALA A 68 1.744 -0.165 -5.368 1.00 0.00 C ATOM 0 H ALA A 68 2.457 1.202 -7.339 1.00 0.00 H new ATOM 0 HA ALA A 68 3.613 -1.050 -5.869 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.446 -0.998 -4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.200 0.614 -4.757 1.00 0.00 H new ATOM 0 HB3 ALA A 68 0.866 0.237 -5.873 1.00 0.00 H new ATOM 1048 N ILE A 69 2.296 -1.582 -8.586 1.00 0.00 N ATOM 1049 CA ILE A 69 1.807 -2.570 -9.533 1.00 0.00 C ATOM 1050 C ILE A 69 2.985 -3.134 -10.330 1.00 0.00 C ATOM 1051 O ILE A 69 2.884 -4.211 -10.914 1.00 0.00 O ATOM 1052 CB ILE A 69 0.703 -1.972 -10.407 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.620 -1.892 -9.642 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.561 -2.748 -11.718 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.945 -0.446 -9.260 1.00 0.00 C ATOM 0 H ILE A 69 2.711 -0.752 -9.011 1.00 0.00 H new ATOM 0 HA ILE A 69 1.348 -3.407 -9.007 1.00 0.00 H new ATOM 0 HB ILE A 69 0.987 -0.952 -10.666 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.424 -2.300 -10.255 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.562 -2.505 -8.743 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.230 -2.302 -12.321 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.501 -2.709 -12.268 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.311 -3.786 -11.501 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.890 -0.417 -8.717 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.151 -0.050 -8.627 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.026 0.159 -10.163 1.00 0.00 H new ATOM 1067 N ASP A 70 4.075 -2.380 -10.327 1.00 0.00 N ATOM 1068 CA ASP A 70 5.270 -2.792 -11.042 1.00 0.00 C ATOM 1069 C ASP A 70 6.210 -3.520 -10.079 1.00 0.00 C ATOM 1070 O ASP A 70 6.847 -4.504 -10.453 1.00 0.00 O ATOM 1071 CB ASP A 70 6.018 -1.582 -11.608 1.00 0.00 C ATOM 1072 CG ASP A 70 5.871 -1.379 -13.117 1.00 0.00 C ATOM 1073 OD1 ASP A 70 6.857 -1.133 -13.827 1.00 0.00 O ATOM 1074 OD2 ASP A 70 4.666 -1.483 -13.566 1.00 0.00 O ATOM 0 H ASP A 70 4.155 -1.487 -9.841 1.00 0.00 H new ATOM 0 HA ASP A 70 4.965 -3.443 -11.861 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.664 -0.685 -11.100 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.077 -1.686 -11.372 1.00 0.00 H new ATOM 1080 N TYR A 71 6.267 -3.009 -8.858 1.00 0.00 N ATOM 1081 CA TYR A 71 7.118 -3.599 -7.839 1.00 0.00 C ATOM 1082 C TYR A 71 6.487 -4.870 -7.266 1.00 0.00 C ATOM 1083 O TYR A 71 7.163 -5.886 -7.108 1.00 0.00 O ATOM 1084 CB TYR A 71 7.230 -2.554 -6.727 1.00 0.00 C ATOM 1085 CG TYR A 71 8.643 -2.399 -6.160 1.00 0.00 C ATOM 1086 CD1 TYR A 71 9.136 -3.334 -5.273 1.00 0.00 C ATOM 1087 CD2 TYR A 71 9.423 -1.324 -6.535 1.00 0.00 C ATOM 1088 CE1 TYR A 71 10.466 -3.187 -4.738 1.00 0.00 C ATOM 1089 CE2 TYR A 71 10.752 -1.178 -6.001 1.00 0.00 C ATOM 1090 CZ TYR A 71 11.208 -2.117 -5.129 1.00 0.00 C ATOM 1091 OH TYR A 71 12.463 -1.979 -4.624 1.00 0.00 O ATOM 0 H TYR A 71 5.738 -2.193 -8.551 1.00 0.00 H new ATOM 0 HA TYR A 71 8.087 -3.870 -8.258 1.00 0.00 H new ATOM 0 HB2 TYR A 71 6.896 -1.591 -7.113 1.00 0.00 H new ATOM 0 HB3 TYR A 71 6.552 -2.825 -5.918 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.526 -4.175 -4.980 1.00 0.00 H new ATOM 0 HD2 TYR A 71 9.036 -0.592 -7.229 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.864 -3.911 -4.042 1.00 0.00 H new ATOM 0 HE2 TYR A 71 11.373 -0.342 -6.286 1.00 0.00 H new ATOM 0 HH TYR A 71 12.491 -2.343 -3.714 1.00 0.00 H new ATOM 1101 N ILE A 72 5.200 -4.772 -6.971 1.00 0.00 N ATOM 1102 CA ILE A 72 4.470 -5.901 -6.419 1.00 0.00 C ATOM 1103 C ILE A 72 4.374 -7.006 -7.474 1.00 0.00 C ATOM 1104 O ILE A 72 4.394 -8.190 -7.141 1.00 0.00 O ATOM 1105 CB ILE A 72 3.113 -5.449 -5.877 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.271 -4.717 -4.543 1.00 0.00 C ATOM 1107 CG2 ILE A 72 2.144 -6.629 -5.772 1.00 0.00 C ATOM 1108 CD1 ILE A 72 3.816 -3.303 -4.755 1.00 0.00 C ATOM 0 H ILE A 72 4.643 -3.928 -7.104 1.00 0.00 H new ATOM 0 HA ILE A 72 5.004 -6.319 -5.566 1.00 0.00 H new ATOM 0 HB ILE A 72 2.682 -4.740 -6.584 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.308 -4.667 -4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.945 -5.277 -3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.187 -6.280 -5.384 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.997 -7.068 -6.759 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.557 -7.380 -5.098 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.919 -2.804 -3.791 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.790 -3.358 -5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 72 3.128 -2.738 -5.384 1.00 0.00 H new ATOM 1120 N ASN A 73 4.273 -6.579 -8.724 1.00 0.00 N ATOM 1121 CA ASN A 73 4.174 -7.516 -9.829 1.00 0.00 C ATOM 1122 C ASN A 73 5.199 -8.636 -9.636 1.00 0.00 C ATOM 1123 O ASN A 73 4.952 -9.780 -10.013 1.00 0.00 O ATOM 1124 CB ASN A 73 4.471 -6.829 -11.163 1.00 0.00 C ATOM 1125 CG ASN A 73 3.500 -7.295 -12.249 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.860 -7.995 -13.182 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.252 -6.870 -12.078 1.00 0.00 N ATOM 0 H ASN A 73 4.258 -5.596 -8.996 1.00 0.00 H new ATOM 0 HA ASN A 73 3.158 -7.911 -9.845 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.397 -5.748 -11.044 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.495 -7.047 -11.468 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.529 -7.128 -12.750 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.017 -6.286 -11.275 1.00 0.00 H new ATOM 1134 N GLY A 74 6.327 -8.267 -9.048 1.00 0.00 N ATOM 1135 CA GLY A 74 7.390 -9.226 -8.800 1.00 0.00 C ATOM 1136 C GLY A 74 6.819 -10.574 -8.355 1.00 0.00 C ATOM 1137 O GLY A 74 7.431 -11.617 -8.584 1.00 0.00 O ATOM 0 H GLY A 74 6.528 -7.317 -8.736 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.983 -9.359 -9.705 1.00 0.00 H new ATOM 0 HA3 GLY A 74 8.061 -8.840 -8.033 1.00 0.00 H new ATOM 1141 N HIS A 75 5.654 -10.510 -7.727 1.00 0.00 N ATOM 1142 CA HIS A 75 4.994 -11.712 -7.249 1.00 0.00 C ATOM 1143 C HIS A 75 4.987 -12.769 -8.355 1.00 0.00 C ATOM 1144 O HIS A 75 5.616 -13.817 -8.221 1.00 0.00 O ATOM 1145 CB HIS A 75 3.592 -11.391 -6.726 1.00 0.00 C ATOM 1146 CG HIS A 75 2.562 -12.449 -7.042 1.00 0.00 C ATOM 1147 ND1 HIS A 75 2.757 -13.791 -6.767 1.00 0.00 N ATOM 1148 CD2 HIS A 75 1.327 -12.348 -7.611 1.00 0.00 C ATOM 1149 CE1 HIS A 75 1.682 -14.459 -7.158 1.00 0.00 C ATOM 1150 NE2 HIS A 75 0.796 -13.563 -7.682 1.00 0.00 N ATOM 0 H HIS A 75 5.150 -9.643 -7.538 1.00 0.00 H new ATOM 0 HA HIS A 75 5.548 -12.124 -6.405 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.640 -11.257 -5.645 1.00 0.00 H new ATOM 0 HB3 HIS A 75 3.265 -10.442 -7.151 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.860 -11.434 -7.947 1.00 0.00 H new ATOM 0 HE1 HIS A 75 1.533 -15.526 -7.076 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -0.122 -13.789 -8.065 1.00 0.00 H new ATOM 1158 N GLN A 76 4.269 -12.456 -9.424 1.00 0.00 N ATOM 1159 CA GLN A 76 4.171 -13.365 -10.553 1.00 0.00 C ATOM 1160 C GLN A 76 5.561 -13.648 -11.128 1.00 0.00 C ATOM 1161 O GLN A 76 6.351 -12.728 -11.332 1.00 0.00 O ATOM 1162 CB GLN A 76 3.236 -12.806 -11.627 1.00 0.00 C ATOM 1163 CG GLN A 76 3.849 -11.578 -12.302 1.00 0.00 C ATOM 1164 CD GLN A 76 2.836 -10.434 -12.382 1.00 0.00 C ATOM 1165 OE1 GLN A 76 2.686 -9.763 -11.244 1.00 0.00 O flip ATOM 1166 NE2 GLN A 76 2.230 -10.177 -13.410 1.00 0.00 N flip ATOM 0 H GLN A 76 3.749 -11.585 -9.532 1.00 0.00 H new ATOM 0 HA GLN A 76 3.746 -14.305 -10.202 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.035 -13.574 -12.374 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.279 -12.539 -11.178 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.727 -11.253 -11.745 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.187 -11.840 -13.305 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.392 -10.732 -14.250 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.561 -9.407 -13.429 1.00 0.00 H new