USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 594 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 Single : A 3 THR OG1 : rot -142:sc= 1.03 USER MOD Single : A 4 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.027) USER MOD Single : A 16 ASN : amide:sc= -6.39! C(o=-6.4!,f=-9.6!) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 1.27 (180deg=0.732) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 76:sc= 0.955 USER MOD Single : A 33 THR OG1 : rot -44:sc= 0.11 USER MOD Single : A 40 SER OG : rot -55:sc= 0.197 USER MOD Single : A 42 SER OG : rot -170:sc= -0.7 USER MOD Single : A 43 MET CE :methyl 173:sc= -4.6! (180deg=-5.11!) USER MOD Single : A 57 LYS NZ :NH3+ -170:sc=-0.00649 (180deg=-0.116) USER MOD Single : A 64 LYS NZ :NH3+ 140:sc= 0.223 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.74! X(o=-1.7!,f=-1.4) USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 1.27 (180deg=1.17) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.387 USER MOD Single : A 73 THR OG1 : rot 76:sc= -0.325! USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= -0.0268 (180deg=-0.194) USER MOD Single : A 75 TYR OH : rot 180:sc= -1.94 USER MOD Single : A 79 HIS :FLIP no HE2:sc= 0.156 F(o=-0.58,f=0.16) USER MOD Single : A 80 GLN :FLIP amide:sc= -3.8 F(o=-5.9!,f=-3.8) USER MOD ----------------------------------------------------------------- ATOM 23 N THR A 3 10.753 -9.030 -0.424 1.00 0.54 N ATOM 24 CA THR A 3 10.108 -9.058 -1.704 1.00 0.48 C ATOM 25 C THR A 3 8.627 -8.661 -1.590 1.00 0.35 C ATOM 26 O THR A 3 8.085 -8.539 -0.472 1.00 0.35 O ATOM 27 CB THR A 3 10.251 -10.481 -2.356 1.00 0.59 C ATOM 28 OG1 THR A 3 9.654 -10.531 -3.666 1.00 0.66 O ATOM 29 CG2 THR A 3 9.621 -11.551 -1.467 1.00 0.66 C ATOM 0 HA THR A 3 10.600 -8.328 -2.347 1.00 0.48 H new ATOM 0 HB THR A 3 11.318 -10.679 -2.458 1.00 0.59 H new ATOM 0 HG1 THR A 3 9.223 -11.401 -3.796 1.00 0.66 H new ATOM 0 HG21 THR A 3 9.732 -12.527 -1.939 1.00 0.66 H new ATOM 0 HG22 THR A 3 10.119 -11.558 -0.497 1.00 0.66 H new ATOM 0 HG23 THR A 3 8.562 -11.333 -1.330 1.00 0.66 H new ATOM 37 N GLN A 4 7.996 -8.482 -2.756 1.00 0.32 N ATOM 38 CA GLN A 4 6.579 -8.161 -2.930 1.00 0.28 C ATOM 39 C GLN A 4 5.679 -9.108 -2.180 1.00 0.27 C ATOM 40 O GLN A 4 4.648 -8.691 -1.651 1.00 0.26 O ATOM 41 CB GLN A 4 6.236 -8.174 -4.435 1.00 0.33 C ATOM 42 CG GLN A 4 4.752 -7.987 -4.787 1.00 0.37 C ATOM 43 CD GLN A 4 3.987 -9.284 -5.063 1.00 0.39 C ATOM 44 OE1 GLN A 4 3.942 -9.742 -6.203 1.00 0.74 O ATOM 45 NE2 GLN A 4 3.353 -9.851 -4.049 1.00 0.48 N ATOM 0 H GLN A 4 8.486 -8.562 -3.647 1.00 0.32 H new ATOM 0 HA GLN A 4 6.407 -7.168 -2.515 1.00 0.28 H new ATOM 0 HB2 GLN A 4 6.808 -7.386 -4.925 1.00 0.33 H new ATOM 0 HB3 GLN A 4 6.573 -9.121 -4.856 1.00 0.33 H new ATOM 0 HG2 GLN A 4 4.263 -7.461 -3.967 1.00 0.37 H new ATOM 0 HG3 GLN A 4 4.680 -7.346 -5.665 1.00 0.37 H new ATOM 0 HE21 GLN A 4 3.414 -9.442 -3.117 1.00 0.48 H new ATOM 0 HE22 GLN A 4 2.804 -10.697 -4.200 1.00 0.48 H new ATOM 54 N GLU A 5 6.059 -10.363 -2.146 1.00 0.33 N ATOM 55 CA GLU A 5 5.290 -11.412 -1.488 1.00 0.40 C ATOM 56 C GLU A 5 5.009 -11.078 -0.021 1.00 0.39 C ATOM 57 O GLU A 5 3.933 -11.357 0.487 1.00 0.55 O ATOM 58 CB GLU A 5 5.993 -12.773 -1.614 1.00 0.57 C ATOM 59 CG GLU A 5 6.054 -13.358 -3.033 1.00 0.85 C ATOM 60 CD GLU A 5 6.894 -12.558 -4.010 1.00 1.88 C ATOM 61 OE1 GLU A 5 8.126 -12.739 -4.045 1.00 2.37 O ATOM 62 OE2 GLU A 5 6.346 -11.744 -4.755 1.00 2.66 O ATOM 0 H GLU A 5 6.921 -10.697 -2.578 1.00 0.33 H new ATOM 0 HA GLU A 5 4.329 -11.475 -1.998 1.00 0.40 H new ATOM 0 HB2 GLU A 5 7.011 -12.673 -1.237 1.00 0.57 H new ATOM 0 HB3 GLU A 5 5.483 -13.487 -0.967 1.00 0.57 H new ATOM 0 HG2 GLU A 5 6.452 -14.371 -2.977 1.00 0.85 H new ATOM 0 HG3 GLU A 5 5.040 -13.435 -3.424 1.00 0.85 H new ATOM 69 N GLU A 6 5.961 -10.429 0.623 1.00 0.36 N ATOM 70 CA GLU A 6 5.821 -10.029 2.018 1.00 0.42 C ATOM 71 C GLU A 6 5.027 -8.714 2.098 1.00 0.32 C ATOM 72 O GLU A 6 4.259 -8.485 3.033 1.00 0.37 O ATOM 73 CB GLU A 6 7.224 -9.836 2.627 1.00 0.55 C ATOM 74 CG GLU A 6 7.246 -9.516 4.128 1.00 0.82 C ATOM 75 CD GLU A 6 6.728 -10.656 4.988 1.00 1.75 C ATOM 76 OE1 GLU A 6 7.461 -11.655 5.200 1.00 2.05 O ATOM 77 OE2 GLU A 6 5.568 -10.578 5.444 1.00 2.73 O ATOM 0 H GLU A 6 6.850 -10.164 0.200 1.00 0.36 H new ATOM 0 HA GLU A 6 5.286 -10.799 2.574 1.00 0.42 H new ATOM 0 HB2 GLU A 6 7.805 -10.743 2.456 1.00 0.55 H new ATOM 0 HB3 GLU A 6 7.727 -9.030 2.092 1.00 0.55 H new ATOM 0 HG2 GLU A 6 8.267 -9.277 4.428 1.00 0.82 H new ATOM 0 HG3 GLU A 6 6.643 -8.627 4.313 1.00 0.82 H new ATOM 84 N ILE A 7 5.174 -7.887 1.069 1.00 0.21 N ATOM 85 CA ILE A 7 4.576 -6.570 1.052 1.00 0.16 C ATOM 86 C ILE A 7 3.084 -6.683 0.842 1.00 0.14 C ATOM 87 O ILE A 7 2.330 -6.396 1.716 1.00 0.18 O ATOM 88 CB ILE A 7 5.179 -5.763 -0.106 1.00 0.13 C ATOM 89 CG1 ILE A 7 6.681 -5.664 0.079 1.00 0.18 C ATOM 90 CG2 ILE A 7 4.553 -4.374 -0.172 1.00 0.17 C ATOM 91 CD1 ILE A 7 7.406 -5.115 -1.115 1.00 0.23 C ATOM 0 H ILE A 7 5.709 -8.115 0.231 1.00 0.21 H new ATOM 0 HA ILE A 7 4.771 -6.074 2.003 1.00 0.16 H new ATOM 0 HB ILE A 7 4.968 -6.271 -1.047 1.00 0.13 H new ATOM 0 HG12 ILE A 7 6.890 -5.031 0.941 1.00 0.18 H new ATOM 0 HG13 ILE A 7 7.075 -6.654 0.307 1.00 0.18 H new ATOM 0 HG21 ILE A 7 4.992 -3.816 -0.999 1.00 0.17 H new ATOM 0 HG22 ILE A 7 3.478 -4.466 -0.327 1.00 0.17 H new ATOM 0 HG23 ILE A 7 4.741 -3.846 0.763 1.00 0.17 H new ATOM 0 HD11 ILE A 7 8.475 -5.075 -0.905 1.00 0.23 H new ATOM 0 HD12 ILE A 7 7.229 -5.759 -1.976 1.00 0.23 H new ATOM 0 HD13 ILE A 7 7.041 -4.111 -1.332 1.00 0.23 H new ATOM 103 N VAL A 8 2.688 -7.135 -0.305 1.00 0.13 N ATOM 104 CA VAL A 8 1.281 -7.328 -0.640 1.00 0.15 C ATOM 105 C VAL A 8 0.533 -8.166 0.387 1.00 0.18 C ATOM 106 O VAL A 8 -0.602 -7.842 0.725 1.00 0.25 O ATOM 107 CB VAL A 8 1.132 -7.886 -2.065 1.00 0.18 C ATOM 108 CG1 VAL A 8 -0.310 -8.176 -2.422 1.00 0.27 C ATOM 109 CG2 VAL A 8 1.720 -6.904 -3.037 1.00 0.17 C ATOM 0 H VAL A 8 3.328 -7.389 -1.057 1.00 0.13 H new ATOM 0 HA VAL A 8 0.809 -6.346 -0.612 1.00 0.15 H new ATOM 0 HB VAL A 8 1.666 -8.835 -2.115 1.00 0.18 H new ATOM 0 HG11 VAL A 8 -0.362 -8.568 -3.438 1.00 0.27 H new ATOM 0 HG12 VAL A 8 -0.716 -8.912 -1.728 1.00 0.27 H new ATOM 0 HG13 VAL A 8 -0.893 -7.257 -2.358 1.00 0.27 H new ATOM 0 HG21 VAL A 8 1.619 -7.291 -4.051 1.00 0.17 H new ATOM 0 HG22 VAL A 8 1.193 -5.953 -2.957 1.00 0.17 H new ATOM 0 HG23 VAL A 8 2.775 -6.754 -2.809 1.00 0.17 H new ATOM 119 N ALA A 9 1.178 -9.186 0.924 1.00 0.18 N ATOM 120 CA ALA A 9 0.551 -9.991 1.952 1.00 0.22 C ATOM 121 C ALA A 9 0.238 -9.121 3.177 1.00 0.21 C ATOM 122 O ALA A 9 -0.862 -9.170 3.726 1.00 0.27 O ATOM 123 CB ALA A 9 1.444 -11.148 2.351 1.00 0.26 C ATOM 0 H ALA A 9 2.123 -9.473 0.669 1.00 0.18 H new ATOM 0 HA ALA A 9 -0.378 -10.398 1.553 1.00 0.22 H new ATOM 0 HB1 ALA A 9 0.952 -11.738 3.124 1.00 0.26 H new ATOM 0 HB2 ALA A 9 1.635 -11.777 1.481 1.00 0.26 H new ATOM 0 HB3 ALA A 9 2.389 -10.763 2.735 1.00 0.26 H new ATOM 129 N GLY A 10 1.186 -8.269 3.523 1.00 0.18 N ATOM 130 CA GLY A 10 1.081 -7.428 4.660 1.00 0.18 C ATOM 131 C GLY A 10 0.177 -6.280 4.428 1.00 0.15 C ATOM 132 O GLY A 10 -0.608 -5.909 5.293 1.00 0.16 O ATOM 0 H GLY A 10 2.056 -8.154 3.002 1.00 0.18 H new ATOM 0 HA2 GLY A 10 0.716 -8.009 5.507 1.00 0.18 H new ATOM 0 HA3 GLY A 10 2.071 -7.059 4.929 1.00 0.18 H new ATOM 136 N LEU A 11 0.274 -5.740 3.255 1.00 0.14 N ATOM 137 CA LEU A 11 -0.450 -4.590 2.856 1.00 0.13 C ATOM 138 C LEU A 11 -1.929 -4.926 2.783 1.00 0.14 C ATOM 139 O LEU A 11 -2.763 -4.137 3.206 1.00 0.16 O ATOM 140 CB LEU A 11 0.089 -4.110 1.514 1.00 0.13 C ATOM 141 CG LEU A 11 0.306 -2.608 1.359 1.00 0.15 C ATOM 142 CD1 LEU A 11 0.861 -2.294 -0.018 1.00 0.18 C ATOM 143 CD2 LEU A 11 -0.976 -1.857 1.595 1.00 0.20 C ATOM 0 H LEU A 11 0.885 -6.107 2.526 1.00 0.14 H new ATOM 0 HA LEU A 11 -0.328 -3.785 3.581 1.00 0.13 H new ATOM 0 HB2 LEU A 11 1.039 -4.612 1.330 1.00 0.13 H new ATOM 0 HB3 LEU A 11 -0.600 -4.436 0.735 1.00 0.13 H new ATOM 0 HG LEU A 11 1.031 -2.287 2.107 1.00 0.15 H new ATOM 0 HD11 LEU A 11 1.010 -1.219 -0.113 1.00 0.18 H new ATOM 0 HD12 LEU A 11 1.814 -2.806 -0.152 1.00 0.18 H new ATOM 0 HD13 LEU A 11 0.158 -2.632 -0.779 1.00 0.18 H new ATOM 0 HD21 LEU A 11 -0.798 -0.788 1.479 1.00 0.20 H new ATOM 0 HD22 LEU A 11 -1.725 -2.180 0.872 1.00 0.20 H new ATOM 0 HD23 LEU A 11 -1.335 -2.058 2.604 1.00 0.20 H new ATOM 155 N ALA A 12 -2.240 -6.127 2.295 1.00 0.12 N ATOM 156 CA ALA A 12 -3.609 -6.602 2.240 1.00 0.13 C ATOM 157 C ALA A 12 -4.200 -6.612 3.629 1.00 0.11 C ATOM 158 O ALA A 12 -5.310 -6.136 3.830 1.00 0.13 O ATOM 159 CB ALA A 12 -3.678 -7.991 1.625 1.00 0.14 C ATOM 0 H ALA A 12 -1.552 -6.787 1.932 1.00 0.12 H new ATOM 0 HA ALA A 12 -4.187 -5.927 1.609 1.00 0.13 H new ATOM 0 HB1 ALA A 12 -4.715 -8.325 1.595 1.00 0.14 H new ATOM 0 HB2 ALA A 12 -3.277 -7.961 0.612 1.00 0.14 H new ATOM 0 HB3 ALA A 12 -3.091 -8.685 2.227 1.00 0.14 H new ATOM 165 N GLU A 13 -3.414 -7.093 4.589 1.00 0.12 N ATOM 166 CA GLU A 13 -3.824 -7.158 5.989 1.00 0.13 C ATOM 167 C GLU A 13 -4.112 -5.794 6.540 1.00 0.15 C ATOM 168 O GLU A 13 -5.108 -5.591 7.225 1.00 0.19 O ATOM 169 CB GLU A 13 -2.786 -7.851 6.840 1.00 0.18 C ATOM 170 CG GLU A 13 -2.612 -9.301 6.505 1.00 0.23 C ATOM 171 CD GLU A 13 -1.544 -9.953 7.348 1.00 0.36 C ATOM 172 OE1 GLU A 13 -1.799 -10.287 8.531 1.00 0.68 O ATOM 173 OE2 GLU A 13 -0.429 -10.171 6.844 1.00 0.52 O ATOM 0 H GLU A 13 -2.474 -7.449 4.418 1.00 0.12 H new ATOM 0 HA GLU A 13 -4.742 -7.745 6.022 1.00 0.13 H new ATOM 0 HB2 GLU A 13 -1.830 -7.341 6.721 1.00 0.18 H new ATOM 0 HB3 GLU A 13 -3.067 -7.760 7.889 1.00 0.18 H new ATOM 0 HG2 GLU A 13 -3.558 -9.823 6.651 1.00 0.23 H new ATOM 0 HG3 GLU A 13 -2.353 -9.401 5.451 1.00 0.23 H new ATOM 180 N ILE A 14 -3.266 -4.857 6.213 1.00 0.14 N ATOM 181 CA ILE A 14 -3.453 -3.476 6.650 1.00 0.17 C ATOM 182 C ILE A 14 -4.779 -2.926 6.104 1.00 0.18 C ATOM 183 O ILE A 14 -5.543 -2.269 6.816 1.00 0.22 O ATOM 184 CB ILE A 14 -2.292 -2.604 6.159 1.00 0.21 C ATOM 185 CG1 ILE A 14 -0.989 -3.161 6.695 1.00 0.21 C ATOM 186 CG2 ILE A 14 -2.480 -1.185 6.638 1.00 0.28 C ATOM 187 CD1 ILE A 14 0.211 -2.714 5.942 1.00 0.25 C ATOM 0 H ILE A 14 -2.434 -5.012 5.644 1.00 0.14 H new ATOM 0 HA ILE A 14 -3.478 -3.455 7.740 1.00 0.17 H new ATOM 0 HB ILE A 14 -2.268 -2.608 5.069 1.00 0.21 H new ATOM 0 HG12 ILE A 14 -0.881 -2.867 7.739 1.00 0.21 H new ATOM 0 HG13 ILE A 14 -1.035 -4.250 6.674 1.00 0.21 H new ATOM 0 HG21 ILE A 14 -1.652 -0.570 6.286 1.00 0.28 H new ATOM 0 HG22 ILE A 14 -3.418 -0.790 6.247 1.00 0.28 H new ATOM 0 HG23 ILE A 14 -2.506 -1.169 7.728 1.00 0.28 H new ATOM 0 HD11 ILE A 14 1.104 -3.154 6.386 1.00 0.25 H new ATOM 0 HD12 ILE A 14 0.128 -3.032 4.903 1.00 0.25 H new ATOM 0 HD13 ILE A 14 0.283 -1.627 5.984 1.00 0.25 H new ATOM 199 N VAL A 15 -5.072 -3.254 4.866 1.00 0.15 N ATOM 200 CA VAL A 15 -6.277 -2.785 4.221 1.00 0.17 C ATOM 201 C VAL A 15 -7.507 -3.533 4.782 1.00 0.18 C ATOM 202 O VAL A 15 -8.642 -3.042 4.728 1.00 0.22 O ATOM 203 CB VAL A 15 -6.201 -2.876 2.664 1.00 0.17 C ATOM 204 CG1 VAL A 15 -7.397 -2.223 2.029 1.00 0.27 C ATOM 205 CG2 VAL A 15 -4.941 -2.217 2.140 1.00 0.23 C ATOM 0 H VAL A 15 -4.486 -3.850 4.281 1.00 0.15 H new ATOM 0 HA VAL A 15 -6.383 -1.725 4.450 1.00 0.17 H new ATOM 0 HB VAL A 15 -6.186 -3.934 2.403 1.00 0.17 H new ATOM 0 HG11 VAL A 15 -7.320 -2.300 0.944 1.00 0.27 H new ATOM 0 HG12 VAL A 15 -8.306 -2.723 2.365 1.00 0.27 H new ATOM 0 HG13 VAL A 15 -7.433 -1.172 2.317 1.00 0.27 H new ATOM 0 HG21 VAL A 15 -4.914 -2.295 1.053 1.00 0.23 H new ATOM 0 HG22 VAL A 15 -4.933 -1.166 2.428 1.00 0.23 H new ATOM 0 HG23 VAL A 15 -4.068 -2.715 2.561 1.00 0.23 H new ATOM 215 N ASN A 16 -7.263 -4.711 5.339 1.00 0.16 N ATOM 216 CA ASN A 16 -8.306 -5.509 5.993 1.00 0.20 C ATOM 217 C ASN A 16 -8.658 -4.844 7.300 1.00 0.25 C ATOM 218 O ASN A 16 -9.804 -4.528 7.570 1.00 0.34 O ATOM 219 CB ASN A 16 -7.818 -6.934 6.380 1.00 0.20 C ATOM 220 CG ASN A 16 -7.331 -7.846 5.280 1.00 0.19 C ATOM 221 OD1 ASN A 16 -6.440 -8.656 5.501 1.00 0.21 O ATOM 222 ND2 ASN A 16 -7.922 -7.788 4.146 1.00 0.27 N ATOM 0 H ASN A 16 -6.340 -5.145 5.354 1.00 0.16 H new ATOM 0 HA ASN A 16 -9.136 -5.581 5.290 1.00 0.20 H new ATOM 0 HB2 ASN A 16 -7.010 -6.824 7.103 1.00 0.20 H new ATOM 0 HB3 ASN A 16 -8.637 -7.439 6.892 1.00 0.20 H new ATOM 0 HD21 ASN A 16 -7.654 -8.427 3.398 1.00 0.27 H new ATOM 0 HD22 ASN A 16 -8.661 -7.103 3.991 1.00 0.27 H new ATOM 229 N GLU A 17 -7.631 -4.623 8.089 1.00 0.26 N ATOM 230 CA GLU A 17 -7.752 -4.132 9.440 1.00 0.35 C ATOM 231 C GLU A 17 -8.154 -2.666 9.522 1.00 0.38 C ATOM 232 O GLU A 17 -9.005 -2.311 10.330 1.00 0.47 O ATOM 233 CB GLU A 17 -6.457 -4.399 10.191 1.00 0.41 C ATOM 234 CG GLU A 17 -6.141 -5.883 10.316 1.00 0.46 C ATOM 235 CD GLU A 17 -4.810 -6.146 10.954 1.00 1.22 C ATOM 236 OE1 GLU A 17 -4.662 -5.897 12.161 1.00 1.35 O ATOM 237 OE2 GLU A 17 -3.894 -6.629 10.271 1.00 2.07 O ATOM 0 H GLU A 17 -6.666 -4.784 7.801 1.00 0.26 H new ATOM 0 HA GLU A 17 -8.569 -4.676 9.913 1.00 0.35 H new ATOM 0 HB2 GLU A 17 -5.635 -3.900 9.678 1.00 0.41 H new ATOM 0 HB3 GLU A 17 -6.523 -3.961 11.187 1.00 0.41 H new ATOM 0 HG2 GLU A 17 -6.921 -6.367 10.903 1.00 0.46 H new ATOM 0 HG3 GLU A 17 -6.159 -6.338 9.325 1.00 0.46 H new ATOM 244 N ILE A 18 -7.546 -1.811 8.722 1.00 0.32 N ATOM 245 CA ILE A 18 -7.898 -0.409 8.761 1.00 0.38 C ATOM 246 C ILE A 18 -9.230 -0.155 8.050 1.00 0.39 C ATOM 247 O ILE A 18 -10.163 0.411 8.630 1.00 0.43 O ATOM 248 CB ILE A 18 -6.777 0.475 8.157 1.00 0.45 C ATOM 249 CG1 ILE A 18 -5.483 0.205 8.923 1.00 0.47 C ATOM 250 CG2 ILE A 18 -7.155 1.951 8.231 1.00 0.65 C ATOM 251 CD1 ILE A 18 -4.370 1.166 8.634 1.00 0.58 C ATOM 0 H ILE A 18 -6.820 -2.058 8.050 1.00 0.32 H new ATOM 0 HA ILE A 18 -8.013 -0.131 9.809 1.00 0.38 H new ATOM 0 HB ILE A 18 -6.638 0.228 7.105 1.00 0.45 H new ATOM 0 HG12 ILE A 18 -5.698 0.230 9.991 1.00 0.47 H new ATOM 0 HG13 ILE A 18 -5.143 -0.804 8.690 1.00 0.47 H new ATOM 0 HG21 ILE A 18 -6.354 2.554 7.802 1.00 0.65 H new ATOM 0 HG22 ILE A 18 -8.075 2.119 7.672 1.00 0.65 H new ATOM 0 HG23 ILE A 18 -7.306 2.236 9.272 1.00 0.65 H new ATOM 0 HD11 ILE A 18 -3.493 0.895 9.223 1.00 0.58 H new ATOM 0 HD12 ILE A 18 -4.121 1.126 7.574 1.00 0.58 H new ATOM 0 HD13 ILE A 18 -4.685 2.176 8.895 1.00 0.58 H new ATOM 263 N ALA A 19 -9.343 -0.600 6.821 1.00 0.39 N ATOM 264 CA ALA A 19 -10.559 -0.362 6.073 1.00 0.44 C ATOM 265 C ALA A 19 -11.531 -1.510 6.247 1.00 0.41 C ATOM 266 O ALA A 19 -12.452 -1.437 7.054 1.00 0.54 O ATOM 267 CB ALA A 19 -10.260 -0.116 4.603 1.00 0.48 C ATOM 0 H ALA A 19 -8.622 -1.121 6.322 1.00 0.39 H new ATOM 0 HA ALA A 19 -11.027 0.539 6.470 1.00 0.44 H new ATOM 0 HB1 ALA A 19 -11.192 0.060 4.066 1.00 0.48 H new ATOM 0 HB2 ALA A 19 -9.614 0.757 4.504 1.00 0.48 H new ATOM 0 HB3 ALA A 19 -9.758 -0.988 4.183 1.00 0.48 H new ATOM 273 N GLY A 20 -11.310 -2.561 5.521 1.00 0.34 N ATOM 274 CA GLY A 20 -12.160 -3.716 5.610 1.00 0.33 C ATOM 275 C GLY A 20 -12.170 -4.488 4.348 1.00 0.32 C ATOM 276 O GLY A 20 -13.208 -4.970 3.906 1.00 0.43 O ATOM 0 H GLY A 20 -10.543 -2.647 4.854 1.00 0.34 H new ATOM 0 HA2 GLY A 20 -11.821 -4.355 6.425 1.00 0.33 H new ATOM 0 HA3 GLY A 20 -13.175 -3.403 5.853 1.00 0.33 H new ATOM 280 N ILE A 21 -11.031 -4.596 3.762 1.00 0.27 N ATOM 281 CA ILE A 21 -10.866 -5.331 2.557 1.00 0.26 C ATOM 282 C ILE A 21 -10.712 -6.806 2.881 1.00 0.25 C ATOM 283 O ILE A 21 -10.453 -7.146 4.025 1.00 0.24 O ATOM 284 CB ILE A 21 -9.625 -4.769 1.794 1.00 0.25 C ATOM 285 CG1 ILE A 21 -10.061 -4.050 0.531 1.00 0.26 C ATOM 286 CG2 ILE A 21 -8.500 -5.784 1.532 1.00 0.31 C ATOM 287 CD1 ILE A 21 -10.930 -2.846 0.794 1.00 0.29 C ATOM 0 H ILE A 21 -10.173 -4.169 4.111 1.00 0.27 H new ATOM 0 HA ILE A 21 -11.740 -5.225 1.915 1.00 0.26 H new ATOM 0 HB ILE A 21 -9.164 -4.050 2.471 1.00 0.25 H new ATOM 0 HG12 ILE A 21 -9.176 -3.736 -0.023 1.00 0.26 H new ATOM 0 HG13 ILE A 21 -10.604 -4.748 -0.106 1.00 0.26 H new ATOM 0 HG21 ILE A 21 -7.686 -5.295 0.997 1.00 0.31 H new ATOM 0 HG22 ILE A 21 -8.130 -6.170 2.482 1.00 0.31 H new ATOM 0 HG23 ILE A 21 -8.886 -6.607 0.931 1.00 0.31 H new ATOM 0 HD11 ILE A 21 -11.204 -2.381 -0.153 1.00 0.29 H new ATOM 0 HD12 ILE A 21 -11.832 -3.157 1.320 1.00 0.29 H new ATOM 0 HD13 ILE A 21 -10.382 -2.129 1.405 1.00 0.29 H new ATOM 299 N PRO A 22 -10.925 -7.693 1.916 1.00 0.29 N ATOM 300 CA PRO A 22 -10.633 -9.088 2.063 1.00 0.35 C ATOM 301 C PRO A 22 -9.184 -9.336 1.588 1.00 0.45 C ATOM 302 O PRO A 22 -8.728 -8.724 0.600 1.00 1.08 O ATOM 303 CB PRO A 22 -11.668 -9.757 1.140 1.00 0.37 C ATOM 304 CG PRO A 22 -12.331 -8.642 0.380 1.00 0.44 C ATOM 305 CD PRO A 22 -11.498 -7.425 0.610 1.00 0.34 C ATOM 0 HA PRO A 22 -10.695 -9.470 3.082 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -11.187 -10.460 0.460 1.00 0.37 H new ATOM 0 HB3 PRO A 22 -12.398 -10.322 1.719 1.00 0.37 H new ATOM 0 HG2 PRO A 22 -12.390 -8.877 -0.683 1.00 0.44 H new ATOM 0 HG3 PRO A 22 -13.352 -8.486 0.730 1.00 0.44 H new ATOM 0 HD2 PRO A 22 -10.731 -7.305 -0.155 1.00 0.34 H new ATOM 0 HD3 PRO A 22 -12.097 -6.514 0.606 1.00 0.34 H new ATOM 313 N VAL A 23 -8.465 -10.203 2.268 1.00 0.39 N ATOM 314 CA VAL A 23 -7.022 -10.406 2.053 1.00 0.32 C ATOM 315 C VAL A 23 -6.673 -11.160 0.710 1.00 0.42 C ATOM 316 O VAL A 23 -5.819 -12.036 0.653 1.00 0.81 O ATOM 317 CB VAL A 23 -6.354 -11.062 3.320 1.00 0.31 C ATOM 318 CG1 VAL A 23 -6.845 -12.481 3.576 1.00 0.41 C ATOM 319 CG2 VAL A 23 -4.825 -10.982 3.299 1.00 0.33 C ATOM 0 H VAL A 23 -8.857 -10.800 2.996 1.00 0.39 H new ATOM 0 HA VAL A 23 -6.584 -9.416 1.922 1.00 0.32 H new ATOM 0 HB VAL A 23 -6.682 -10.459 4.167 1.00 0.31 H new ATOM 0 HG11 VAL A 23 -6.351 -12.883 4.461 1.00 0.41 H new ATOM 0 HG12 VAL A 23 -7.923 -12.470 3.736 1.00 0.41 H new ATOM 0 HG13 VAL A 23 -6.613 -13.107 2.715 1.00 0.41 H new ATOM 0 HG21 VAL A 23 -4.424 -11.451 4.198 1.00 0.33 H new ATOM 0 HG22 VAL A 23 -4.446 -11.501 2.419 1.00 0.33 H new ATOM 0 HG23 VAL A 23 -4.516 -9.937 3.266 1.00 0.33 H new ATOM 329 N GLU A 24 -7.306 -10.734 -0.350 1.00 0.33 N ATOM 330 CA GLU A 24 -7.082 -11.241 -1.703 1.00 0.40 C ATOM 331 C GLU A 24 -7.265 -10.139 -2.719 1.00 0.34 C ATOM 332 O GLU A 24 -6.745 -10.218 -3.819 1.00 0.44 O ATOM 333 CB GLU A 24 -8.007 -12.417 -2.040 1.00 0.57 C ATOM 334 CG GLU A 24 -7.449 -13.783 -1.686 1.00 1.36 C ATOM 335 CD GLU A 24 -6.265 -14.155 -2.560 1.00 1.86 C ATOM 336 OE1 GLU A 24 -5.119 -13.738 -2.267 1.00 2.31 O ATOM 337 OE2 GLU A 24 -6.456 -14.845 -3.563 1.00 2.20 O ATOM 0 H GLU A 24 -8.016 -10.003 -0.309 1.00 0.33 H new ATOM 0 HA GLU A 24 -6.055 -11.604 -1.741 1.00 0.40 H new ATOM 0 HB2 GLU A 24 -8.953 -12.279 -1.517 1.00 0.57 H new ATOM 0 HB3 GLU A 24 -8.227 -12.395 -3.107 1.00 0.57 H new ATOM 0 HG2 GLU A 24 -7.144 -13.790 -0.640 1.00 1.36 H new ATOM 0 HG3 GLU A 24 -8.231 -14.534 -1.796 1.00 1.36 H new ATOM 344 N ASP A 25 -7.980 -9.097 -2.326 1.00 0.28 N ATOM 345 CA ASP A 25 -8.282 -7.981 -3.224 1.00 0.29 C ATOM 346 C ASP A 25 -7.084 -7.110 -3.465 1.00 0.25 C ATOM 347 O ASP A 25 -6.889 -6.604 -4.564 1.00 0.28 O ATOM 348 CB ASP A 25 -9.432 -7.129 -2.677 1.00 0.35 C ATOM 349 CG ASP A 25 -10.791 -7.729 -2.916 1.00 0.94 C ATOM 350 OD1 ASP A 25 -10.976 -8.923 -2.611 1.00 1.59 O ATOM 351 OD2 ASP A 25 -11.707 -7.027 -3.431 1.00 1.57 O ATOM 0 H ASP A 25 -8.366 -8.996 -1.387 1.00 0.28 H new ATOM 0 HA ASP A 25 -8.581 -8.421 -4.176 1.00 0.29 H new ATOM 0 HB2 ASP A 25 -9.290 -6.986 -1.606 1.00 0.35 H new ATOM 0 HB3 ASP A 25 -9.393 -6.142 -3.138 1.00 0.35 H new ATOM 356 N VAL A 26 -6.283 -6.938 -2.441 1.00 0.23 N ATOM 357 CA VAL A 26 -5.116 -6.073 -2.512 1.00 0.22 C ATOM 358 C VAL A 26 -4.021 -6.764 -3.285 1.00 0.25 C ATOM 359 O VAL A 26 -3.315 -7.604 -2.748 1.00 0.30 O ATOM 360 CB VAL A 26 -4.596 -5.717 -1.099 1.00 0.23 C ATOM 361 CG1 VAL A 26 -3.447 -4.724 -1.167 1.00 0.24 C ATOM 362 CG2 VAL A 26 -5.703 -5.162 -0.251 1.00 0.27 C ATOM 0 H VAL A 26 -6.415 -7.389 -1.536 1.00 0.23 H new ATOM 0 HA VAL A 26 -5.407 -5.151 -3.016 1.00 0.22 H new ATOM 0 HB VAL A 26 -4.228 -6.636 -0.643 1.00 0.23 H new ATOM 0 HG11 VAL A 26 -3.104 -4.494 -0.158 1.00 0.24 H new ATOM 0 HG12 VAL A 26 -2.626 -5.156 -1.740 1.00 0.24 H new ATOM 0 HG13 VAL A 26 -3.785 -3.809 -1.652 1.00 0.24 H new ATOM 0 HG21 VAL A 26 -5.316 -4.918 0.738 1.00 0.27 H new ATOM 0 HG22 VAL A 26 -6.101 -4.261 -0.717 1.00 0.27 H new ATOM 0 HG23 VAL A 26 -6.497 -5.903 -0.158 1.00 0.27 H new ATOM 372 N LYS A 27 -3.971 -6.498 -4.565 1.00 0.28 N ATOM 373 CA LYS A 27 -2.972 -7.045 -5.433 1.00 0.35 C ATOM 374 C LYS A 27 -2.433 -5.930 -6.270 1.00 0.37 C ATOM 375 O LYS A 27 -2.993 -4.833 -6.277 1.00 0.72 O ATOM 376 CB LYS A 27 -3.563 -8.148 -6.327 1.00 0.40 C ATOM 377 CG LYS A 27 -4.074 -9.356 -5.558 1.00 0.83 C ATOM 378 CD LYS A 27 -2.955 -10.088 -4.815 1.00 1.13 C ATOM 379 CE LYS A 27 -3.499 -11.071 -3.775 1.00 1.15 C ATOM 380 NZ LYS A 27 -4.331 -12.142 -4.357 1.00 1.58 N ATOM 0 H LYS A 27 -4.636 -5.885 -5.036 1.00 0.28 H new ATOM 0 HA LYS A 27 -2.176 -7.498 -4.842 1.00 0.35 H new ATOM 0 HB2 LYS A 27 -4.382 -7.729 -6.911 1.00 0.40 H new ATOM 0 HB3 LYS A 27 -2.801 -8.476 -7.035 1.00 0.40 H new ATOM 0 HG2 LYS A 27 -4.832 -9.035 -4.843 1.00 0.83 H new ATOM 0 HG3 LYS A 27 -4.559 -10.045 -6.249 1.00 0.83 H new ATOM 0 HD2 LYS A 27 -2.336 -10.626 -5.533 1.00 1.13 H new ATOM 0 HD3 LYS A 27 -2.311 -9.360 -4.322 1.00 1.13 H new ATOM 0 HE2 LYS A 27 -2.663 -11.521 -3.240 1.00 1.15 H new ATOM 0 HE3 LYS A 27 -4.089 -10.522 -3.041 1.00 1.15 H new ATOM 0 HZ1 LYS A 27 -4.413 -12.926 -3.678 1.00 1.58 H new ATOM 0 HZ2 LYS A 27 -5.278 -11.769 -4.571 1.00 1.58 H new ATOM 0 HZ3 LYS A 27 -3.889 -12.488 -5.233 1.00 1.58 H new ATOM 394 N LEU A 28 -1.367 -6.174 -6.955 1.00 0.24 N ATOM 395 CA LEU A 28 -0.767 -5.172 -7.791 1.00 0.22 C ATOM 396 C LEU A 28 -1.738 -4.809 -8.892 1.00 0.23 C ATOM 397 O LEU A 28 -2.536 -5.658 -9.312 1.00 0.31 O ATOM 398 CB LEU A 28 0.578 -5.633 -8.417 1.00 0.27 C ATOM 399 CG LEU A 28 1.803 -5.805 -7.492 1.00 0.43 C ATOM 400 CD1 LEU A 28 1.569 -6.844 -6.442 1.00 1.05 C ATOM 401 CD2 LEU A 28 3.033 -6.154 -8.303 1.00 1.05 C ATOM 0 H LEU A 28 -0.882 -7.071 -6.956 1.00 0.24 H new ATOM 0 HA LEU A 28 -0.545 -4.309 -7.163 1.00 0.22 H new ATOM 0 HB2 LEU A 28 0.402 -6.587 -8.914 1.00 0.27 H new ATOM 0 HB3 LEU A 28 0.846 -4.914 -9.192 1.00 0.27 H new ATOM 0 HG LEU A 28 1.963 -4.853 -6.986 1.00 0.43 H new ATOM 0 HD11 LEU A 28 2.455 -6.933 -5.814 1.00 1.05 H new ATOM 0 HD12 LEU A 28 0.716 -6.555 -5.828 1.00 1.05 H new ATOM 0 HD13 LEU A 28 1.365 -7.803 -6.918 1.00 1.05 H new ATOM 0 HD21 LEU A 28 3.887 -6.272 -7.636 1.00 1.05 H new ATOM 0 HD22 LEU A 28 2.862 -7.086 -8.841 1.00 1.05 H new ATOM 0 HD23 LEU A 28 3.237 -5.356 -9.016 1.00 1.05 H new ATOM 413 N ASP A 29 -1.696 -3.546 -9.297 1.00 0.24 N ATOM 414 CA ASP A 29 -2.559 -2.975 -10.355 1.00 0.31 C ATOM 415 C ASP A 29 -3.958 -2.687 -9.800 1.00 0.28 C ATOM 416 O ASP A 29 -4.882 -2.300 -10.518 1.00 0.38 O ATOM 417 CB ASP A 29 -2.609 -3.890 -11.602 1.00 0.42 C ATOM 418 CG ASP A 29 -3.221 -3.237 -12.825 1.00 0.60 C ATOM 419 OD1 ASP A 29 -2.671 -2.223 -13.313 1.00 0.72 O ATOM 420 OD2 ASP A 29 -4.221 -3.761 -13.362 1.00 0.70 O ATOM 0 H ASP A 29 -1.051 -2.865 -8.898 1.00 0.24 H new ATOM 0 HA ASP A 29 -2.125 -2.029 -10.680 1.00 0.31 H new ATOM 0 HB2 ASP A 29 -1.596 -4.212 -11.844 1.00 0.42 H new ATOM 0 HB3 ASP A 29 -3.179 -4.787 -11.359 1.00 0.42 H new ATOM 425 N LYS A 30 -4.095 -2.822 -8.493 1.00 0.19 N ATOM 426 CA LYS A 30 -5.345 -2.549 -7.839 1.00 0.20 C ATOM 427 C LYS A 30 -5.253 -1.275 -7.105 1.00 0.20 C ATOM 428 O LYS A 30 -4.390 -1.094 -6.261 1.00 0.24 O ATOM 429 CB LYS A 30 -5.756 -3.582 -6.840 1.00 0.28 C ATOM 430 CG LYS A 30 -6.167 -4.939 -7.362 1.00 0.36 C ATOM 431 CD LYS A 30 -7.521 -4.885 -8.036 1.00 0.45 C ATOM 432 CE LYS A 30 -7.990 -6.264 -8.452 1.00 0.79 C ATOM 433 NZ LYS A 30 -9.377 -6.233 -8.960 1.00 1.48 N ATOM 0 H LYS A 30 -3.347 -3.121 -7.868 1.00 0.19 H new ATOM 0 HA LYS A 30 -6.085 -2.531 -8.639 1.00 0.20 H new ATOM 0 HB2 LYS A 30 -4.928 -3.726 -6.146 1.00 0.28 H new ATOM 0 HB3 LYS A 30 -6.588 -3.178 -6.263 1.00 0.28 H new ATOM 0 HG2 LYS A 30 -5.421 -5.299 -8.070 1.00 0.36 H new ATOM 0 HG3 LYS A 30 -6.197 -5.653 -6.539 1.00 0.36 H new ATOM 0 HD2 LYS A 30 -8.249 -4.442 -7.357 1.00 0.45 H new ATOM 0 HD3 LYS A 30 -7.467 -4.238 -8.912 1.00 0.45 H new ATOM 0 HE2 LYS A 30 -7.328 -6.658 -9.223 1.00 0.79 H new ATOM 0 HE3 LYS A 30 -7.928 -6.943 -7.601 1.00 0.79 H new ATOM 0 HZ1 LYS A 30 -9.667 -7.193 -9.236 1.00 1.48 H new ATOM 0 HZ2 LYS A 30 -10.012 -5.880 -8.215 1.00 1.48 H new ATOM 0 HZ3 LYS A 30 -9.430 -5.604 -9.787 1.00 1.48 H new ATOM 447 N SER A 31 -6.139 -0.451 -7.398 1.00 0.20 N ATOM 448 CA SER A 31 -6.236 0.859 -6.838 1.00 0.34 C ATOM 449 C SER A 31 -6.922 0.763 -5.487 1.00 0.53 C ATOM 450 O SER A 31 -8.087 0.441 -5.407 1.00 1.25 O ATOM 451 CB SER A 31 -7.053 1.749 -7.771 1.00 0.36 C ATOM 452 OG SER A 31 -6.659 1.558 -9.121 1.00 0.86 O ATOM 0 H SER A 31 -6.876 -0.654 -8.073 1.00 0.20 H new ATOM 0 HA SER A 31 -5.242 1.289 -6.715 1.00 0.34 H new ATOM 0 HB2 SER A 31 -8.114 1.522 -7.661 1.00 0.36 H new ATOM 0 HB3 SER A 31 -6.920 2.794 -7.493 1.00 0.36 H new ATOM 0 HG SER A 31 -7.030 0.714 -9.454 1.00 0.86 H new ATOM 458 N PHE A 32 -6.168 0.962 -4.467 1.00 0.29 N ATOM 459 CA PHE A 32 -6.605 0.968 -3.083 1.00 0.28 C ATOM 460 C PHE A 32 -8.001 1.600 -2.861 1.00 0.26 C ATOM 461 O PHE A 32 -8.967 0.921 -2.555 1.00 0.40 O ATOM 462 CB PHE A 32 -5.595 1.720 -2.248 1.00 0.40 C ATOM 463 CG PHE A 32 -4.247 1.104 -2.096 1.00 0.35 C ATOM 464 CD1 PHE A 32 -4.050 0.066 -1.221 1.00 0.38 C ATOM 465 CD2 PHE A 32 -3.182 1.536 -2.860 1.00 0.35 C ATOM 466 CE1 PHE A 32 -2.823 -0.521 -1.102 1.00 0.40 C ATOM 467 CE2 PHE A 32 -1.961 0.953 -2.745 1.00 0.34 C ATOM 468 CZ PHE A 32 -1.742 0.013 -1.761 1.00 0.36 C ATOM 0 H PHE A 32 -5.168 1.137 -4.562 1.00 0.29 H new ATOM 0 HA PHE A 32 -6.684 -0.077 -2.784 1.00 0.28 H new ATOM 0 HB2 PHE A 32 -5.467 2.711 -2.683 1.00 0.40 H new ATOM 0 HB3 PHE A 32 -6.017 1.861 -1.253 1.00 0.40 H new ATOM 0 HD1 PHE A 32 -4.874 -0.290 -0.620 1.00 0.38 H new ATOM 0 HD2 PHE A 32 -3.321 2.348 -3.558 1.00 0.35 H new ATOM 0 HE1 PHE A 32 -2.702 -1.403 -0.491 1.00 0.40 H new ATOM 0 HE2 PHE A 32 -1.165 1.225 -3.422 1.00 0.34 H new ATOM 0 HZ PHE A 32 -0.738 -0.298 -1.512 1.00 0.36 H new ATOM 478 N THR A 33 -8.118 2.850 -3.081 1.00 0.28 N ATOM 479 CA THR A 33 -9.365 3.536 -2.776 1.00 0.36 C ATOM 480 C THR A 33 -10.403 3.453 -3.945 1.00 0.45 C ATOM 481 O THR A 33 -11.434 4.126 -3.939 1.00 1.06 O ATOM 482 CB THR A 33 -9.091 5.005 -2.360 1.00 0.61 C ATOM 483 OG1 THR A 33 -10.201 5.556 -1.655 1.00 1.01 O ATOM 484 CG2 THR A 33 -8.786 5.851 -3.579 1.00 0.78 C ATOM 0 H THR A 33 -7.383 3.442 -3.469 1.00 0.28 H new ATOM 0 HA THR A 33 -9.819 3.017 -1.932 1.00 0.36 H new ATOM 0 HB THR A 33 -8.226 5.007 -1.696 1.00 0.61 H new ATOM 0 HG1 THR A 33 -11.033 5.314 -2.113 1.00 1.01 H new ATOM 0 HG21 THR A 33 -8.596 6.879 -3.270 1.00 0.78 H new ATOM 0 HG22 THR A 33 -7.905 5.456 -4.085 1.00 0.78 H new ATOM 0 HG23 THR A 33 -9.637 5.828 -4.260 1.00 0.78 H new ATOM 492 N ASP A 34 -10.172 2.550 -4.878 1.00 0.32 N ATOM 493 CA ASP A 34 -11.057 2.408 -6.036 1.00 0.34 C ATOM 494 C ASP A 34 -11.382 0.971 -6.301 1.00 0.35 C ATOM 495 O ASP A 34 -12.511 0.540 -6.123 1.00 0.50 O ATOM 496 CB ASP A 34 -10.464 3.058 -7.291 1.00 0.38 C ATOM 497 CG ASP A 34 -10.676 4.553 -7.348 1.00 0.96 C ATOM 498 OD1 ASP A 34 -9.870 5.294 -6.731 1.00 1.04 O ATOM 499 OD2 ASP A 34 -11.640 5.018 -7.986 1.00 1.74 O ATOM 0 H ASP A 34 -9.384 1.902 -4.865 1.00 0.32 H new ATOM 0 HA ASP A 34 -11.981 2.932 -5.791 1.00 0.34 H new ATOM 0 HB2 ASP A 34 -9.395 2.848 -7.330 1.00 0.38 H new ATOM 0 HB3 ASP A 34 -10.911 2.601 -8.174 1.00 0.38 H new ATOM 504 N ASP A 35 -10.370 0.227 -6.668 1.00 0.30 N ATOM 505 CA ASP A 35 -10.484 -1.190 -6.963 1.00 0.32 C ATOM 506 C ASP A 35 -10.770 -1.952 -5.707 1.00 0.35 C ATOM 507 O ASP A 35 -11.577 -2.878 -5.700 1.00 0.52 O ATOM 508 CB ASP A 35 -9.177 -1.744 -7.562 1.00 0.31 C ATOM 509 CG ASP A 35 -8.950 -1.448 -9.025 1.00 0.81 C ATOM 510 OD1 ASP A 35 -9.818 -1.792 -9.847 1.00 1.29 O ATOM 511 OD2 ASP A 35 -7.956 -0.801 -9.373 1.00 1.10 O ATOM 0 H ASP A 35 -9.423 0.590 -6.774 1.00 0.30 H new ATOM 0 HA ASP A 35 -11.294 -1.308 -7.683 1.00 0.32 H new ATOM 0 HB2 ASP A 35 -8.339 -1.340 -6.994 1.00 0.31 H new ATOM 0 HB3 ASP A 35 -9.165 -2.825 -7.423 1.00 0.31 H new ATOM 516 N LEU A 36 -10.095 -1.569 -4.642 1.00 0.30 N ATOM 517 CA LEU A 36 -10.230 -2.253 -3.385 1.00 0.33 C ATOM 518 C LEU A 36 -11.487 -1.825 -2.668 1.00 0.39 C ATOM 519 O LEU A 36 -12.249 -2.687 -2.225 1.00 0.81 O ATOM 520 CB LEU A 36 -9.039 -1.984 -2.492 1.00 0.33 C ATOM 521 CG LEU A 36 -7.670 -2.282 -3.030 1.00 0.33 C ATOM 522 CD1 LEU A 36 -6.697 -2.180 -1.902 1.00 0.36 C ATOM 523 CD2 LEU A 36 -7.614 -3.632 -3.663 1.00 0.36 C ATOM 0 H LEU A 36 -9.446 -0.783 -4.629 1.00 0.30 H new ATOM 0 HA LEU A 36 -10.285 -3.320 -3.602 1.00 0.33 H new ATOM 0 HB2 LEU A 36 -9.065 -0.931 -2.210 1.00 0.33 H new ATOM 0 HB3 LEU A 36 -9.171 -2.562 -1.577 1.00 0.33 H new ATOM 0 HG LEU A 36 -7.418 -1.562 -3.809 1.00 0.33 H new ATOM 0 HD11 LEU A 36 -5.692 -2.393 -2.268 1.00 0.36 H new ATOM 0 HD12 LEU A 36 -6.726 -1.173 -1.486 1.00 0.36 H new ATOM 0 HD13 LEU A 36 -6.961 -2.900 -1.127 1.00 0.36 H new ATOM 0 HD21 LEU A 36 -6.608 -3.815 -4.042 1.00 0.36 H new ATOM 0 HD22 LEU A 36 -7.867 -4.392 -2.923 1.00 0.36 H new ATOM 0 HD23 LEU A 36 -8.326 -3.677 -4.487 1.00 0.36 H new ATOM 535 N ASP A 37 -11.671 -0.478 -2.556 1.00 0.35 N ATOM 536 CA ASP A 37 -12.813 0.168 -1.884 1.00 0.45 C ATOM 537 C ASP A 37 -12.472 0.493 -0.466 1.00 0.39 C ATOM 538 O ASP A 37 -12.865 -0.173 0.481 1.00 0.87 O ATOM 539 CB ASP A 37 -14.150 -0.579 -2.046 1.00 0.79 C ATOM 540 CG ASP A 37 -15.300 -0.077 -1.168 1.00 0.90 C ATOM 541 OD1 ASP A 37 -15.591 1.141 -1.201 1.00 1.12 O ATOM 542 OD2 ASP A 37 -15.882 -0.863 -0.387 1.00 0.99 O ATOM 0 H ASP A 37 -11.009 0.194 -2.943 1.00 0.35 H new ATOM 0 HA ASP A 37 -12.993 1.110 -2.402 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -14.458 -0.513 -3.089 1.00 0.79 H new ATOM 0 HB3 ASP A 37 -13.985 -1.634 -1.828 1.00 0.79 H new ATOM 547 N VAL A 38 -11.591 1.431 -0.355 1.00 0.38 N ATOM 548 CA VAL A 38 -11.162 1.932 0.928 1.00 0.37 C ATOM 549 C VAL A 38 -11.775 3.329 1.187 1.00 0.48 C ATOM 550 O VAL A 38 -12.206 3.992 0.257 1.00 0.79 O ATOM 551 CB VAL A 38 -9.609 1.957 1.008 1.00 0.40 C ATOM 552 CG1 VAL A 38 -9.098 2.369 2.388 1.00 0.50 C ATOM 553 CG2 VAL A 38 -9.059 0.596 0.640 1.00 0.43 C ATOM 0 H VAL A 38 -11.140 1.881 -1.151 1.00 0.38 H new ATOM 0 HA VAL A 38 -11.519 1.264 1.712 1.00 0.37 H new ATOM 0 HB VAL A 38 -9.259 2.708 0.300 1.00 0.40 H new ATOM 0 HG11 VAL A 38 -8.008 2.370 2.387 1.00 0.50 H new ATOM 0 HG12 VAL A 38 -9.461 3.369 2.627 1.00 0.50 H new ATOM 0 HG13 VAL A 38 -9.460 1.663 3.136 1.00 0.50 H new ATOM 0 HG21 VAL A 38 -7.971 0.616 0.697 1.00 0.43 H new ATOM 0 HG22 VAL A 38 -9.445 -0.152 1.333 1.00 0.43 H new ATOM 0 HG23 VAL A 38 -9.365 0.342 -0.375 1.00 0.43 H new ATOM 563 N ASP A 39 -11.771 3.769 2.450 1.00 0.39 N ATOM 564 CA ASP A 39 -12.370 5.062 2.897 1.00 0.55 C ATOM 565 C ASP A 39 -11.542 6.288 2.472 1.00 0.67 C ATOM 566 O ASP A 39 -11.863 7.409 2.850 1.00 1.53 O ATOM 567 CB ASP A 39 -12.483 5.089 4.430 1.00 0.64 C ATOM 568 CG ASP A 39 -13.249 3.933 5.015 1.00 1.28 C ATOM 569 OD1 ASP A 39 -12.657 2.886 5.299 1.00 2.00 O ATOM 570 OD2 ASP A 39 -14.497 4.047 5.188 1.00 1.51 O ATOM 0 H ASP A 39 -11.349 3.240 3.213 1.00 0.39 H new ATOM 0 HA ASP A 39 -13.348 5.120 2.420 1.00 0.55 H new ATOM 0 HB2 ASP A 39 -11.480 5.098 4.856 1.00 0.64 H new ATOM 0 HB3 ASP A 39 -12.966 6.019 4.731 1.00 0.64 H new ATOM 575 N SER A 40 -10.471 6.052 1.718 1.00 0.45 N ATOM 576 CA SER A 40 -9.509 7.061 1.221 1.00 0.37 C ATOM 577 C SER A 40 -8.670 7.711 2.353 1.00 0.34 C ATOM 578 O SER A 40 -7.450 7.815 2.248 1.00 0.46 O ATOM 579 CB SER A 40 -10.173 8.115 0.314 1.00 0.51 C ATOM 580 OG SER A 40 -10.496 9.335 1.042 1.00 0.78 O ATOM 0 H SER A 40 -10.229 5.108 1.416 1.00 0.45 H new ATOM 0 HA SER A 40 -8.803 6.511 0.598 1.00 0.37 H new ATOM 0 HB2 SER A 40 -9.506 8.353 -0.514 1.00 0.51 H new ATOM 0 HB3 SER A 40 -11.083 7.699 -0.119 1.00 0.51 H new ATOM 0 HG SER A 40 -11.053 9.115 1.818 1.00 0.78 H new ATOM 585 N LEU A 41 -9.331 8.130 3.409 1.00 0.32 N ATOM 586 CA LEU A 41 -8.702 8.743 4.576 1.00 0.36 C ATOM 587 C LEU A 41 -7.760 7.744 5.201 1.00 0.33 C ATOM 588 O LEU A 41 -6.580 8.017 5.432 1.00 0.41 O ATOM 589 CB LEU A 41 -9.786 9.097 5.595 1.00 0.51 C ATOM 590 CG LEU A 41 -10.950 9.916 5.057 1.00 0.65 C ATOM 591 CD1 LEU A 41 -12.044 10.032 6.095 1.00 1.15 C ATOM 592 CD2 LEU A 41 -10.494 11.294 4.612 1.00 1.18 C ATOM 0 H LEU A 41 -10.345 8.056 3.490 1.00 0.32 H new ATOM 0 HA LEU A 41 -8.159 9.640 4.279 1.00 0.36 H new ATOM 0 HB2 LEU A 41 -10.180 8.172 6.016 1.00 0.51 H new ATOM 0 HB3 LEU A 41 -9.324 9.649 6.414 1.00 0.51 H new ATOM 0 HG LEU A 41 -11.349 9.396 4.186 1.00 0.65 H new ATOM 0 HD11 LEU A 41 -12.867 10.621 5.691 1.00 1.15 H new ATOM 0 HD12 LEU A 41 -12.404 9.037 6.357 1.00 1.15 H new ATOM 0 HD13 LEU A 41 -11.650 10.522 6.986 1.00 1.15 H new ATOM 0 HD21 LEU A 41 -11.348 11.855 4.233 1.00 1.18 H new ATOM 0 HD22 LEU A 41 -10.059 11.824 5.459 1.00 1.18 H new ATOM 0 HD23 LEU A 41 -9.747 11.193 3.824 1.00 1.18 H new ATOM 604 N SER A 42 -8.288 6.565 5.394 1.00 0.31 N ATOM 605 CA SER A 42 -7.618 5.462 6.014 1.00 0.33 C ATOM 606 C SER A 42 -6.396 4.986 5.200 1.00 0.27 C ATOM 607 O SER A 42 -5.531 4.299 5.713 1.00 0.26 O ATOM 608 CB SER A 42 -8.626 4.352 6.093 1.00 0.45 C ATOM 609 OG SER A 42 -9.882 4.890 6.459 1.00 0.60 O ATOM 0 H SER A 42 -9.241 6.341 5.109 1.00 0.31 H new ATOM 0 HA SER A 42 -7.243 5.761 6.993 1.00 0.33 H new ATOM 0 HB2 SER A 42 -8.701 3.843 5.132 1.00 0.45 H new ATOM 0 HB3 SER A 42 -8.309 3.608 6.824 1.00 0.45 H new ATOM 0 HG SER A 42 -10.503 4.160 6.666 1.00 0.60 H new ATOM 615 N MET A 43 -6.332 5.395 3.952 1.00 0.27 N ATOM 616 CA MET A 43 -5.298 4.981 3.031 1.00 0.31 C ATOM 617 C MET A 43 -3.970 5.494 3.443 1.00 0.25 C ATOM 618 O MET A 43 -2.978 4.815 3.277 1.00 0.28 O ATOM 619 CB MET A 43 -5.620 5.438 1.621 1.00 0.46 C ATOM 620 CG MET A 43 -6.838 4.789 1.033 1.00 0.73 C ATOM 621 SD MET A 43 -6.543 3.211 0.234 1.00 0.86 S ATOM 622 CE MET A 43 -5.522 2.282 1.380 1.00 0.40 C ATOM 0 H MET A 43 -7.010 6.037 3.542 1.00 0.27 H new ATOM 0 HA MET A 43 -5.261 3.892 3.048 1.00 0.31 H new ATOM 0 HB2 MET A 43 -5.762 6.519 1.624 1.00 0.46 H new ATOM 0 HB3 MET A 43 -4.764 5.231 0.978 1.00 0.46 H new ATOM 0 HG2 MET A 43 -7.574 4.647 1.825 1.00 0.73 H new ATOM 0 HG3 MET A 43 -7.280 5.471 0.306 1.00 0.73 H new ATOM 0 HE1 MET A 43 -5.403 1.261 1.016 1.00 0.40 H new ATOM 0 HE2 MET A 43 -4.543 2.755 1.461 1.00 0.40 H new ATOM 0 HE3 MET A 43 -5.999 2.265 2.360 1.00 0.40 H new ATOM 632 N VAL A 44 -3.957 6.678 4.014 1.00 0.22 N ATOM 633 CA VAL A 44 -2.727 7.278 4.472 1.00 0.22 C ATOM 634 C VAL A 44 -2.138 6.417 5.618 1.00 0.21 C ATOM 635 O VAL A 44 -0.922 6.178 5.680 1.00 0.26 O ATOM 636 CB VAL A 44 -2.959 8.730 4.966 1.00 0.25 C ATOM 637 CG1 VAL A 44 -1.657 9.367 5.435 1.00 0.31 C ATOM 638 CG2 VAL A 44 -3.589 9.569 3.863 1.00 0.30 C ATOM 0 H VAL A 44 -4.790 7.246 4.172 1.00 0.22 H new ATOM 0 HA VAL A 44 -2.027 7.318 3.638 1.00 0.22 H new ATOM 0 HB VAL A 44 -3.641 8.692 5.815 1.00 0.25 H new ATOM 0 HG11 VAL A 44 -1.851 10.384 5.775 1.00 0.31 H new ATOM 0 HG12 VAL A 44 -1.241 8.783 6.256 1.00 0.31 H new ATOM 0 HG13 VAL A 44 -0.945 9.390 4.610 1.00 0.31 H new ATOM 0 HG21 VAL A 44 -3.746 10.585 4.224 1.00 0.30 H new ATOM 0 HG22 VAL A 44 -2.926 9.589 2.998 1.00 0.30 H new ATOM 0 HG23 VAL A 44 -4.546 9.134 3.577 1.00 0.30 H new ATOM 648 N GLU A 45 -3.034 5.897 6.476 1.00 0.19 N ATOM 649 CA GLU A 45 -2.652 5.057 7.611 1.00 0.18 C ATOM 650 C GLU A 45 -2.020 3.789 7.063 1.00 0.20 C ATOM 651 O GLU A 45 -0.971 3.353 7.506 1.00 0.25 O ATOM 652 CB GLU A 45 -3.889 4.629 8.397 1.00 0.17 C ATOM 653 CG GLU A 45 -4.898 5.712 8.705 1.00 0.29 C ATOM 654 CD GLU A 45 -4.371 6.810 9.580 1.00 0.46 C ATOM 655 OE1 GLU A 45 -4.325 6.636 10.807 1.00 0.68 O ATOM 656 OE2 GLU A 45 -3.959 7.861 9.041 1.00 0.58 O ATOM 0 H GLU A 45 -4.039 6.050 6.397 1.00 0.19 H new ATOM 0 HA GLU A 45 -1.974 5.617 8.255 1.00 0.18 H new ATOM 0 HB2 GLU A 45 -4.394 3.841 7.838 1.00 0.17 H new ATOM 0 HB3 GLU A 45 -3.560 4.190 9.339 1.00 0.17 H new ATOM 0 HG2 GLU A 45 -5.247 6.145 7.768 1.00 0.29 H new ATOM 0 HG3 GLU A 45 -5.764 5.260 9.189 1.00 0.29 H new ATOM 663 N VAL A 46 -2.683 3.240 6.043 1.00 0.19 N ATOM 664 CA VAL A 46 -2.284 2.023 5.351 1.00 0.22 C ATOM 665 C VAL A 46 -0.865 2.128 4.768 1.00 0.20 C ATOM 666 O VAL A 46 -0.165 1.141 4.642 1.00 0.23 O ATOM 667 CB VAL A 46 -3.309 1.672 4.219 1.00 0.31 C ATOM 668 CG1 VAL A 46 -2.910 0.433 3.447 1.00 0.53 C ATOM 669 CG2 VAL A 46 -4.711 1.499 4.787 1.00 0.63 C ATOM 0 H VAL A 46 -3.539 3.647 5.667 1.00 0.19 H new ATOM 0 HA VAL A 46 -2.278 1.221 6.089 1.00 0.22 H new ATOM 0 HB VAL A 46 -3.305 2.512 3.525 1.00 0.31 H new ATOM 0 HG11 VAL A 46 -3.652 0.231 2.674 1.00 0.53 H new ATOM 0 HG12 VAL A 46 -1.936 0.591 2.983 1.00 0.53 H new ATOM 0 HG13 VAL A 46 -2.854 -0.417 4.127 1.00 0.53 H new ATOM 0 HG21 VAL A 46 -5.403 1.256 3.981 1.00 0.63 H new ATOM 0 HG22 VAL A 46 -4.710 0.692 5.520 1.00 0.63 H new ATOM 0 HG23 VAL A 46 -5.026 2.425 5.268 1.00 0.63 H new ATOM 679 N VAL A 47 -0.427 3.335 4.511 1.00 0.17 N ATOM 680 CA VAL A 47 0.891 3.556 3.911 1.00 0.18 C ATOM 681 C VAL A 47 1.916 3.415 4.987 1.00 0.19 C ATOM 682 O VAL A 47 2.862 2.641 4.867 1.00 0.21 O ATOM 683 CB VAL A 47 1.044 4.966 3.321 1.00 0.22 C ATOM 684 CG1 VAL A 47 2.351 5.066 2.567 1.00 0.55 C ATOM 685 CG2 VAL A 47 -0.104 5.324 2.429 1.00 0.54 C ATOM 0 H VAL A 47 -0.954 4.187 4.703 1.00 0.17 H new ATOM 0 HA VAL A 47 1.013 2.831 3.106 1.00 0.18 H new ATOM 0 HB VAL A 47 1.046 5.678 4.146 1.00 0.22 H new ATOM 0 HG11 VAL A 47 2.455 6.068 2.150 1.00 0.55 H new ATOM 0 HG12 VAL A 47 3.179 4.868 3.247 1.00 0.55 H new ATOM 0 HG13 VAL A 47 2.362 4.334 1.759 1.00 0.55 H new ATOM 0 HG21 VAL A 47 0.043 6.329 2.032 1.00 0.54 H new ATOM 0 HG22 VAL A 47 -0.160 4.613 1.605 1.00 0.54 H new ATOM 0 HG23 VAL A 47 -1.032 5.291 3.000 1.00 0.54 H new ATOM 695 N VAL A 48 1.708 4.171 6.043 1.00 0.19 N ATOM 696 CA VAL A 48 2.580 4.170 7.194 1.00 0.23 C ATOM 697 C VAL A 48 2.608 2.773 7.808 1.00 0.23 C ATOM 698 O VAL A 48 3.620 2.325 8.319 1.00 0.35 O ATOM 699 CB VAL A 48 2.095 5.215 8.245 1.00 0.31 C ATOM 700 CG1 VAL A 48 2.987 5.237 9.480 1.00 0.42 C ATOM 701 CG2 VAL A 48 2.027 6.602 7.617 1.00 0.33 C ATOM 0 H VAL A 48 0.918 4.811 6.126 1.00 0.19 H new ATOM 0 HA VAL A 48 3.587 4.445 6.880 1.00 0.23 H new ATOM 0 HB VAL A 48 1.097 4.917 8.568 1.00 0.31 H new ATOM 0 HG11 VAL A 48 2.613 5.979 10.186 1.00 0.42 H new ATOM 0 HG12 VAL A 48 2.982 4.254 9.950 1.00 0.42 H new ATOM 0 HG13 VAL A 48 4.005 5.494 9.189 1.00 0.42 H new ATOM 0 HG21 VAL A 48 1.687 7.322 8.361 1.00 0.33 H new ATOM 0 HG22 VAL A 48 3.016 6.889 7.260 1.00 0.33 H new ATOM 0 HG23 VAL A 48 1.329 6.589 6.780 1.00 0.33 H new ATOM 711 N ALA A 49 1.498 2.068 7.702 1.00 0.18 N ATOM 712 CA ALA A 49 1.420 0.758 8.231 1.00 0.18 C ATOM 713 C ALA A 49 2.149 -0.217 7.329 1.00 0.17 C ATOM 714 O ALA A 49 2.730 -1.208 7.793 1.00 0.21 O ATOM 715 CB ALA A 49 -0.011 0.344 8.464 1.00 0.20 C ATOM 0 H ALA A 49 0.646 2.399 7.249 1.00 0.18 H new ATOM 0 HA ALA A 49 1.913 0.749 9.203 1.00 0.18 H new ATOM 0 HB1 ALA A 49 -0.036 -0.667 8.871 1.00 0.20 H new ATOM 0 HB2 ALA A 49 -0.478 1.031 9.170 1.00 0.20 H new ATOM 0 HB3 ALA A 49 -0.555 0.369 7.520 1.00 0.20 H new ATOM 721 N ALA A 50 2.128 0.077 6.035 1.00 0.16 N ATOM 722 CA ALA A 50 2.798 -0.730 5.054 1.00 0.18 C ATOM 723 C ALA A 50 4.299 -0.640 5.247 1.00 0.18 C ATOM 724 O ALA A 50 4.937 -1.624 5.613 1.00 0.21 O ATOM 725 CB ALA A 50 2.386 -0.332 3.612 1.00 0.18 C ATOM 0 H ALA A 50 1.642 0.886 5.647 1.00 0.16 H new ATOM 0 HA ALA A 50 2.493 -1.767 5.195 1.00 0.18 H new ATOM 0 HB1 ALA A 50 2.912 -0.963 2.896 1.00 0.18 H new ATOM 0 HB2 ALA A 50 1.311 -0.465 3.491 1.00 0.18 H new ATOM 0 HB3 ALA A 50 2.645 0.712 3.435 1.00 0.18 H new ATOM 731 N GLU A 51 4.848 0.542 5.088 1.00 0.18 N ATOM 732 CA GLU A 51 6.291 0.719 5.135 1.00 0.23 C ATOM 733 C GLU A 51 6.932 0.319 6.459 1.00 0.23 C ATOM 734 O GLU A 51 7.986 -0.311 6.461 1.00 0.30 O ATOM 735 CB GLU A 51 6.724 2.079 4.596 1.00 0.29 C ATOM 736 CG GLU A 51 5.993 3.268 5.141 1.00 0.31 C ATOM 737 CD GLU A 51 6.718 4.002 6.211 1.00 0.36 C ATOM 738 OE1 GLU A 51 6.910 3.473 7.309 1.00 0.51 O ATOM 739 OE2 GLU A 51 7.079 5.160 5.968 1.00 0.64 O ATOM 0 H GLU A 51 4.321 1.400 4.924 1.00 0.18 H new ATOM 0 HA GLU A 51 6.705 -0.011 4.440 1.00 0.23 H new ATOM 0 HB2 GLU A 51 7.787 2.206 4.801 1.00 0.29 H new ATOM 0 HB3 GLU A 51 6.607 2.072 3.512 1.00 0.29 H new ATOM 0 HG2 GLU A 51 5.785 3.957 4.322 1.00 0.31 H new ATOM 0 HG3 GLU A 51 5.031 2.938 5.532 1.00 0.31 H new ATOM 746 N GLU A 52 6.253 0.588 7.559 1.00 0.22 N ATOM 747 CA GLU A 52 6.709 0.162 8.876 1.00 0.26 C ATOM 748 C GLU A 52 6.868 -1.357 8.975 1.00 0.24 C ATOM 749 O GLU A 52 7.734 -1.844 9.693 1.00 0.35 O ATOM 750 CB GLU A 52 5.784 0.694 9.960 1.00 0.33 C ATOM 751 CG GLU A 52 6.029 2.152 10.303 1.00 0.46 C ATOM 752 CD GLU A 52 7.270 2.372 11.143 1.00 1.20 C ATOM 753 OE1 GLU A 52 8.368 1.977 10.694 1.00 2.07 O ATOM 754 OE2 GLU A 52 7.183 2.911 12.270 1.00 1.50 O ATOM 0 H GLU A 52 5.374 1.105 7.569 1.00 0.22 H new ATOM 0 HA GLU A 52 7.701 0.587 9.029 1.00 0.26 H new ATOM 0 HB2 GLU A 52 4.750 0.574 9.636 1.00 0.33 H new ATOM 0 HB3 GLU A 52 5.908 0.092 10.860 1.00 0.33 H new ATOM 0 HG2 GLU A 52 6.118 2.725 9.380 1.00 0.46 H new ATOM 0 HG3 GLU A 52 5.163 2.542 10.838 1.00 0.46 H new ATOM 761 N ARG A 53 6.062 -2.098 8.235 1.00 0.18 N ATOM 762 CA ARG A 53 6.175 -3.543 8.229 1.00 0.21 C ATOM 763 C ARG A 53 7.184 -4.011 7.169 1.00 0.24 C ATOM 764 O ARG A 53 7.880 -5.007 7.359 1.00 0.37 O ATOM 765 CB ARG A 53 4.809 -4.217 7.960 1.00 0.25 C ATOM 766 CG ARG A 53 4.914 -5.738 7.868 1.00 0.41 C ATOM 767 CD ARG A 53 3.614 -6.416 7.488 1.00 0.49 C ATOM 768 NE ARG A 53 3.839 -7.836 7.193 1.00 1.36 N ATOM 769 CZ ARG A 53 2.888 -8.776 7.114 1.00 1.55 C ATOM 770 NH1 ARG A 53 1.640 -8.518 7.520 1.00 1.19 N ATOM 771 NH2 ARG A 53 3.188 -9.971 6.618 1.00 2.48 N ATOM 0 H ARG A 53 5.327 -1.725 7.634 1.00 0.18 H new ATOM 0 HA ARG A 53 6.525 -3.838 9.218 1.00 0.21 H new ATOM 0 HB2 ARG A 53 4.114 -3.952 8.756 1.00 0.25 H new ATOM 0 HB3 ARG A 53 4.393 -3.828 7.031 1.00 0.25 H new ATOM 0 HG2 ARG A 53 5.677 -5.997 7.134 1.00 0.41 H new ATOM 0 HG3 ARG A 53 5.250 -6.129 8.828 1.00 0.41 H new ATOM 0 HD2 ARG A 53 2.895 -6.317 8.301 1.00 0.49 H new ATOM 0 HD3 ARG A 53 3.181 -5.922 6.618 1.00 0.49 H new ATOM 0 HE ARG A 53 4.802 -8.132 7.035 1.00 1.36 H new ATOM 0 HH11 ARG A 53 1.405 -7.599 7.894 1.00 1.19 H new ATOM 0 HH12 ARG A 53 0.923 -9.241 7.456 1.00 1.19 H new ATOM 0 HH21 ARG A 53 4.137 -10.168 6.300 1.00 2.48 H new ATOM 0 HH22 ARG A 53 2.469 -10.692 6.555 1.00 2.48 H new ATOM 785 N PHE A 54 7.273 -3.285 6.062 1.00 0.20 N ATOM 786 CA PHE A 54 8.067 -3.756 4.917 1.00 0.26 C ATOM 787 C PHE A 54 9.462 -3.197 4.898 1.00 0.37 C ATOM 788 O PHE A 54 10.232 -3.491 4.003 1.00 0.81 O ATOM 789 CB PHE A 54 7.366 -3.459 3.605 1.00 0.18 C ATOM 790 CG PHE A 54 5.954 -3.871 3.610 1.00 0.14 C ATOM 791 CD1 PHE A 54 5.584 -5.051 4.181 1.00 0.27 C ATOM 792 CD2 PHE A 54 4.999 -3.095 3.000 1.00 0.19 C ATOM 793 CE1 PHE A 54 4.288 -5.458 4.143 1.00 0.36 C ATOM 794 CE2 PHE A 54 3.715 -3.496 2.951 1.00 0.29 C ATOM 795 CZ PHE A 54 3.322 -4.581 3.717 1.00 0.33 C ATOM 0 H PHE A 54 6.817 -2.383 5.926 1.00 0.20 H new ATOM 0 HA PHE A 54 8.157 -4.836 5.037 1.00 0.26 H new ATOM 0 HB2 PHE A 54 7.428 -2.391 3.399 1.00 0.18 H new ATOM 0 HB3 PHE A 54 7.887 -3.971 2.796 1.00 0.18 H new ATOM 0 HD1 PHE A 54 6.326 -5.667 4.667 1.00 0.27 H new ATOM 0 HD2 PHE A 54 5.281 -2.152 2.555 1.00 0.19 H new ATOM 0 HE1 PHE A 54 4.021 -6.460 4.445 1.00 0.36 H new ATOM 0 HE2 PHE A 54 3.003 -2.980 2.324 1.00 0.29 H new ATOM 0 HZ PHE A 54 2.284 -4.733 3.972 1.00 0.33 H new ATOM 805 N ASP A 55 9.746 -2.364 5.856 1.00 0.23 N ATOM 806 CA ASP A 55 11.103 -1.770 6.089 1.00 0.30 C ATOM 807 C ASP A 55 11.414 -0.611 5.172 1.00 0.21 C ATOM 808 O ASP A 55 12.490 -0.009 5.277 1.00 0.44 O ATOM 809 CB ASP A 55 12.266 -2.795 6.001 1.00 0.60 C ATOM 810 CG ASP A 55 12.159 -3.924 6.991 1.00 1.22 C ATOM 811 OD1 ASP A 55 11.504 -4.942 6.685 1.00 1.99 O ATOM 812 OD2 ASP A 55 12.754 -3.846 8.070 1.00 1.56 O ATOM 0 H ASP A 55 9.050 -2.049 6.532 1.00 0.23 H new ATOM 0 HA ASP A 55 11.040 -1.408 7.115 1.00 0.30 H new ATOM 0 HB2 ASP A 55 12.297 -3.210 4.993 1.00 0.60 H new ATOM 0 HB3 ASP A 55 13.210 -2.274 6.160 1.00 0.60 H new ATOM 817 N VAL A 56 10.519 -0.295 4.258 1.00 0.17 N ATOM 818 CA VAL A 56 10.738 0.839 3.393 1.00 0.21 C ATOM 819 C VAL A 56 10.267 2.111 4.143 1.00 0.20 C ATOM 820 O VAL A 56 9.790 2.006 5.266 1.00 0.21 O ATOM 821 CB VAL A 56 9.994 0.639 2.034 1.00 0.27 C ATOM 822 CG1 VAL A 56 8.507 0.675 2.207 1.00 0.29 C ATOM 823 CG2 VAL A 56 10.432 1.603 0.962 1.00 0.37 C ATOM 0 H VAL A 56 9.647 -0.800 4.098 1.00 0.17 H new ATOM 0 HA VAL A 56 11.795 0.945 3.151 1.00 0.21 H new ATOM 0 HB VAL A 56 10.278 -0.356 1.690 1.00 0.27 H new ATOM 0 HG11 VAL A 56 8.025 0.532 1.240 1.00 0.29 H new ATOM 0 HG12 VAL A 56 8.200 -0.120 2.886 1.00 0.29 H new ATOM 0 HG13 VAL A 56 8.212 1.639 2.621 1.00 0.29 H new ATOM 0 HG21 VAL A 56 9.874 1.407 0.046 1.00 0.37 H new ATOM 0 HG22 VAL A 56 10.241 2.624 1.291 1.00 0.37 H new ATOM 0 HG23 VAL A 56 11.498 1.476 0.772 1.00 0.37 H new ATOM 833 N LYS A 57 10.396 3.271 3.562 1.00 0.25 N ATOM 834 CA LYS A 57 9.909 4.459 4.189 1.00 0.25 C ATOM 835 C LYS A 57 9.203 5.283 3.149 1.00 0.22 C ATOM 836 O LYS A 57 9.747 5.503 2.054 1.00 0.28 O ATOM 837 CB LYS A 57 11.056 5.252 4.797 1.00 0.33 C ATOM 838 CG LYS A 57 10.599 6.314 5.754 1.00 0.44 C ATOM 839 CD LYS A 57 9.890 5.669 6.922 1.00 0.89 C ATOM 840 CE LYS A 57 9.321 6.674 7.878 1.00 1.46 C ATOM 841 NZ LYS A 57 10.381 7.493 8.483 1.00 2.12 N ATOM 0 H LYS A 57 10.836 3.415 2.653 1.00 0.25 H new ATOM 0 HA LYS A 57 9.221 4.197 4.993 1.00 0.25 H new ATOM 0 HB2 LYS A 57 11.727 4.568 5.317 1.00 0.33 H new ATOM 0 HB3 LYS A 57 11.632 5.717 3.997 1.00 0.33 H new ATOM 0 HG2 LYS A 57 11.453 6.892 6.107 1.00 0.44 H new ATOM 0 HG3 LYS A 57 9.930 7.011 5.249 1.00 0.44 H new ATOM 0 HD2 LYS A 57 9.087 5.033 6.549 1.00 0.89 H new ATOM 0 HD3 LYS A 57 10.588 5.022 7.454 1.00 0.89 H new ATOM 0 HE2 LYS A 57 8.615 7.318 7.354 1.00 1.46 H new ATOM 0 HE3 LYS A 57 8.764 6.160 8.661 1.00 1.46 H new ATOM 0 HZ1 LYS A 57 9.982 8.059 9.259 1.00 2.12 H new ATOM 0 HZ2 LYS A 57 11.129 6.873 8.855 1.00 2.12 H new ATOM 0 HZ3 LYS A 57 10.783 8.127 7.763 1.00 2.12 H new ATOM 855 N ILE A 58 8.010 5.725 3.456 1.00 0.20 N ATOM 856 CA ILE A 58 7.213 6.450 2.500 1.00 0.19 C ATOM 857 C ILE A 58 6.699 7.769 3.111 1.00 0.21 C ATOM 858 O ILE A 58 5.885 7.754 4.031 1.00 0.25 O ATOM 859 CB ILE A 58 5.993 5.596 2.020 1.00 0.19 C ATOM 860 CG1 ILE A 58 6.450 4.186 1.583 1.00 0.22 C ATOM 861 CG2 ILE A 58 5.298 6.298 0.856 1.00 0.20 C ATOM 862 CD1 ILE A 58 5.330 3.244 1.193 1.00 0.24 C ATOM 0 H ILE A 58 7.567 5.594 4.366 1.00 0.20 H new ATOM 0 HA ILE A 58 7.850 6.670 1.643 1.00 0.19 H new ATOM 0 HB ILE A 58 5.295 5.491 2.851 1.00 0.19 H new ATOM 0 HG12 ILE A 58 7.131 4.287 0.738 1.00 0.22 H new ATOM 0 HG13 ILE A 58 7.017 3.735 2.398 1.00 0.22 H new ATOM 0 HG21 ILE A 58 4.449 5.700 0.525 1.00 0.20 H new ATOM 0 HG22 ILE A 58 4.947 7.278 1.179 1.00 0.20 H new ATOM 0 HG23 ILE A 58 6.001 6.418 0.032 1.00 0.20 H new ATOM 0 HD11 ILE A 58 5.749 2.281 0.902 1.00 0.24 H new ATOM 0 HD12 ILE A 58 4.659 3.106 2.041 1.00 0.24 H new ATOM 0 HD13 ILE A 58 4.775 3.666 0.355 1.00 0.24 H new ATOM 874 N PRO A 59 7.212 8.919 2.644 1.00 0.23 N ATOM 875 CA PRO A 59 6.717 10.243 3.073 1.00 0.28 C ATOM 876 C PRO A 59 5.367 10.527 2.420 1.00 0.24 C ATOM 877 O PRO A 59 5.014 9.862 1.436 1.00 0.21 O ATOM 878 CB PRO A 59 7.754 11.198 2.490 1.00 0.33 C ATOM 879 CG PRO A 59 8.268 10.486 1.291 1.00 0.30 C ATOM 880 CD PRO A 59 8.317 9.035 1.676 1.00 0.25 C ATOM 0 HA PRO A 59 6.589 10.326 4.152 1.00 0.28 H new ATOM 0 HB2 PRO A 59 7.308 12.156 2.224 1.00 0.33 H new ATOM 0 HB3 PRO A 59 8.552 11.404 3.204 1.00 0.33 H new ATOM 0 HG2 PRO A 59 7.615 10.642 0.432 1.00 0.30 H new ATOM 0 HG3 PRO A 59 9.256 10.851 1.011 1.00 0.30 H new ATOM 0 HD2 PRO A 59 8.171 8.383 0.815 1.00 0.25 H new ATOM 0 HD3 PRO A 59 9.275 8.766 2.121 1.00 0.25 H new ATOM 888 N ASP A 60 4.646 11.551 2.897 1.00 0.30 N ATOM 889 CA ASP A 60 3.307 11.895 2.350 1.00 0.34 C ATOM 890 C ASP A 60 3.416 12.229 0.878 1.00 0.31 C ATOM 891 O ASP A 60 2.466 12.029 0.101 1.00 0.36 O ATOM 892 CB ASP A 60 2.646 13.091 3.057 1.00 0.51 C ATOM 893 CG ASP A 60 2.407 12.919 4.532 1.00 1.25 C ATOM 894 OD1 ASP A 60 1.604 12.023 4.904 1.00 1.92 O ATOM 895 OD2 ASP A 60 3.035 13.627 5.344 1.00 1.98 O ATOM 0 H ASP A 60 4.957 12.158 3.656 1.00 0.30 H new ATOM 0 HA ASP A 60 2.684 11.016 2.517 1.00 0.34 H new ATOM 0 HB2 ASP A 60 3.272 13.970 2.908 1.00 0.51 H new ATOM 0 HB3 ASP A 60 1.691 13.294 2.573 1.00 0.51 H new ATOM 900 N ASP A 61 4.576 12.743 0.499 1.00 0.30 N ATOM 901 CA ASP A 61 4.878 13.076 -0.879 1.00 0.37 C ATOM 902 C ASP A 61 4.860 11.832 -1.768 1.00 0.33 C ATOM 903 O ASP A 61 4.391 11.875 -2.894 1.00 0.46 O ATOM 904 CB ASP A 61 6.229 13.782 -0.983 1.00 0.50 C ATOM 905 CG ASP A 61 6.542 14.228 -2.387 1.00 1.16 C ATOM 906 OD1 ASP A 61 6.053 15.298 -2.803 1.00 1.16 O ATOM 907 OD2 ASP A 61 7.283 13.525 -3.097 1.00 2.06 O ATOM 0 H ASP A 61 5.339 12.941 1.147 1.00 0.30 H new ATOM 0 HA ASP A 61 4.102 13.755 -1.231 1.00 0.37 H new ATOM 0 HB2 ASP A 61 6.234 14.648 -0.321 1.00 0.50 H new ATOM 0 HB3 ASP A 61 7.014 13.110 -0.636 1.00 0.50 H new ATOM 912 N ASP A 62 5.360 10.729 -1.263 1.00 0.25 N ATOM 913 CA ASP A 62 5.329 9.486 -2.025 1.00 0.25 C ATOM 914 C ASP A 62 4.028 8.733 -1.807 1.00 0.23 C ATOM 915 O ASP A 62 3.578 7.999 -2.677 1.00 0.28 O ATOM 916 CB ASP A 62 6.550 8.598 -1.793 1.00 0.26 C ATOM 917 CG ASP A 62 7.808 9.143 -2.447 1.00 0.36 C ATOM 918 OD1 ASP A 62 7.886 9.196 -3.686 1.00 0.52 O ATOM 919 OD2 ASP A 62 8.726 9.584 -1.734 1.00 0.44 O ATOM 0 H ASP A 62 5.790 10.658 -0.341 1.00 0.25 H new ATOM 0 HA ASP A 62 5.375 9.775 -3.075 1.00 0.25 H new ATOM 0 HB2 ASP A 62 6.719 8.494 -0.721 1.00 0.26 H new ATOM 0 HB3 ASP A 62 6.347 7.600 -2.182 1.00 0.26 H new ATOM 924 N VAL A 63 3.425 8.927 -0.629 1.00 0.22 N ATOM 925 CA VAL A 63 2.095 8.373 -0.294 1.00 0.26 C ATOM 926 C VAL A 63 1.103 8.753 -1.391 1.00 0.29 C ATOM 927 O VAL A 63 0.373 7.915 -1.907 1.00 0.38 O ATOM 928 CB VAL A 63 1.578 8.965 1.069 1.00 0.27 C ATOM 929 CG1 VAL A 63 0.125 8.610 1.327 1.00 0.31 C ATOM 930 CG2 VAL A 63 2.418 8.481 2.228 1.00 0.27 C ATOM 0 H VAL A 63 3.841 9.473 0.125 1.00 0.22 H new ATOM 0 HA VAL A 63 2.181 7.290 -0.209 1.00 0.26 H new ATOM 0 HB VAL A 63 1.663 10.049 0.987 1.00 0.27 H new ATOM 0 HG11 VAL A 63 -0.191 9.039 2.278 1.00 0.31 H new ATOM 0 HG12 VAL A 63 -0.495 9.010 0.525 1.00 0.31 H new ATOM 0 HG13 VAL A 63 0.016 7.526 1.364 1.00 0.31 H new ATOM 0 HG21 VAL A 63 2.037 8.907 3.156 1.00 0.27 H new ATOM 0 HG22 VAL A 63 2.372 7.393 2.282 1.00 0.27 H new ATOM 0 HG23 VAL A 63 3.452 8.793 2.083 1.00 0.27 H new ATOM 940 N LYS A 64 1.139 10.017 -1.763 1.00 0.27 N ATOM 941 CA LYS A 64 0.221 10.577 -2.748 1.00 0.34 C ATOM 942 C LYS A 64 0.498 10.080 -4.187 1.00 0.32 C ATOM 943 O LYS A 64 -0.225 10.442 -5.119 1.00 0.38 O ATOM 944 CB LYS A 64 0.223 12.119 -2.665 1.00 0.44 C ATOM 945 CG LYS A 64 1.505 12.772 -3.150 1.00 0.83 C ATOM 946 CD LYS A 64 1.640 14.207 -2.667 1.00 0.73 C ATOM 947 CE LYS A 64 2.875 14.868 -3.262 1.00 1.59 C ATOM 948 NZ LYS A 64 3.151 16.184 -2.653 1.00 2.16 N ATOM 0 H LYS A 64 1.807 10.692 -1.392 1.00 0.27 H new ATOM 0 HA LYS A 64 -0.777 10.215 -2.501 1.00 0.34 H new ATOM 0 HB2 LYS A 64 -0.611 12.503 -3.252 1.00 0.44 H new ATOM 0 HB3 LYS A 64 0.048 12.415 -1.631 1.00 0.44 H new ATOM 0 HG2 LYS A 64 2.360 12.192 -2.802 1.00 0.83 H new ATOM 0 HG3 LYS A 64 1.530 12.754 -4.240 1.00 0.83 H new ATOM 0 HD2 LYS A 64 0.751 14.773 -2.944 1.00 0.73 H new ATOM 0 HD3 LYS A 64 1.702 14.224 -1.579 1.00 0.73 H new ATOM 0 HE2 LYS A 64 3.737 14.216 -3.121 1.00 1.59 H new ATOM 0 HE3 LYS A 64 2.739 14.988 -4.337 1.00 1.59 H new ATOM 0 HZ1 LYS A 64 4.176 16.295 -2.516 1.00 2.16 H new ATOM 0 HZ2 LYS A 64 2.802 16.937 -3.280 1.00 2.16 H new ATOM 0 HZ3 LYS A 64 2.670 16.249 -1.733 1.00 2.16 H new ATOM 962 N ASN A 65 1.528 9.268 -4.360 1.00 0.26 N ATOM 963 CA ASN A 65 1.894 8.753 -5.647 1.00 0.29 C ATOM 964 C ASN A 65 1.302 7.381 -5.852 1.00 0.28 C ATOM 965 O ASN A 65 0.915 7.023 -6.958 1.00 0.42 O ATOM 966 CB ASN A 65 3.407 8.639 -5.768 1.00 0.36 C ATOM 967 CG ASN A 65 4.143 9.956 -5.788 1.00 0.90 C ATOM 968 OD1 ASN A 65 3.620 10.976 -6.222 1.00 1.59 O ATOM 969 ND2 ASN A 65 5.370 9.942 -5.340 1.00 1.43 N ATOM 0 H ASN A 65 2.130 8.952 -3.600 1.00 0.26 H new ATOM 0 HA ASN A 65 1.512 9.443 -6.400 1.00 0.29 H new ATOM 0 HB2 ASN A 65 3.780 8.044 -4.935 1.00 0.36 H new ATOM 0 HB3 ASN A 65 3.644 8.093 -6.681 1.00 0.36 H new ATOM 0 HD21 ASN A 65 5.924 10.798 -5.344 1.00 1.43 H new ATOM 0 HD22 ASN A 65 5.774 9.075 -4.986 1.00 1.43 H new ATOM 976 N LEU A 66 1.225 6.624 -4.787 1.00 0.21 N ATOM 977 CA LEU A 66 0.775 5.275 -4.833 1.00 0.23 C ATOM 978 C LEU A 66 -0.740 5.265 -4.974 1.00 0.25 C ATOM 979 O LEU A 66 -1.457 5.710 -4.089 1.00 0.31 O ATOM 980 CB LEU A 66 1.197 4.528 -3.544 1.00 0.22 C ATOM 981 CG LEU A 66 2.666 4.705 -3.066 1.00 0.21 C ATOM 982 CD1 LEU A 66 2.955 3.825 -1.858 1.00 0.22 C ATOM 983 CD2 LEU A 66 3.660 4.419 -4.173 1.00 0.23 C ATOM 0 H LEU A 66 1.480 6.943 -3.852 1.00 0.21 H new ATOM 0 HA LEU A 66 1.225 4.768 -5.686 1.00 0.23 H new ATOM 0 HB2 LEU A 66 0.539 4.849 -2.737 1.00 0.22 H new ATOM 0 HB3 LEU A 66 1.018 3.464 -3.697 1.00 0.22 H new ATOM 0 HG LEU A 66 2.783 5.749 -2.776 1.00 0.21 H new ATOM 0 HD11 LEU A 66 3.989 3.967 -1.543 1.00 0.22 H new ATOM 0 HD12 LEU A 66 2.286 4.097 -1.041 1.00 0.22 H new ATOM 0 HD13 LEU A 66 2.797 2.780 -2.123 1.00 0.22 H new ATOM 0 HD21 LEU A 66 4.674 4.555 -3.796 1.00 0.23 H new ATOM 0 HD22 LEU A 66 3.535 3.392 -4.518 1.00 0.23 H new ATOM 0 HD23 LEU A 66 3.487 5.104 -5.003 1.00 0.23 H new ATOM 995 N LYS A 67 -1.215 4.815 -6.100 1.00 0.28 N ATOM 996 CA LYS A 67 -2.646 4.727 -6.320 1.00 0.34 C ATOM 997 C LYS A 67 -3.093 3.288 -6.294 1.00 0.30 C ATOM 998 O LYS A 67 -4.188 2.961 -5.832 1.00 0.38 O ATOM 999 CB LYS A 67 -3.147 5.462 -7.604 1.00 0.46 C ATOM 1000 CG LYS A 67 -2.413 5.180 -8.934 1.00 1.05 C ATOM 1001 CD LYS A 67 -1.144 6.019 -9.058 1.00 1.26 C ATOM 1002 CE LYS A 67 -0.524 5.954 -10.453 1.00 1.83 C ATOM 1003 NZ LYS A 67 0.058 4.640 -10.791 1.00 2.55 N ATOM 0 H LYS A 67 -0.641 4.502 -6.883 1.00 0.28 H new ATOM 0 HA LYS A 67 -3.113 5.263 -5.494 1.00 0.34 H new ATOM 0 HB2 LYS A 67 -4.199 5.211 -7.743 1.00 0.46 H new ATOM 0 HB3 LYS A 67 -3.097 6.534 -7.416 1.00 0.46 H new ATOM 0 HG2 LYS A 67 -2.159 4.122 -8.994 1.00 1.05 H new ATOM 0 HG3 LYS A 67 -3.077 5.396 -9.771 1.00 1.05 H new ATOM 0 HD2 LYS A 67 -1.375 7.056 -8.816 1.00 1.26 H new ATOM 0 HD3 LYS A 67 -0.414 5.676 -8.325 1.00 1.26 H new ATOM 0 HE2 LYS A 67 -1.287 6.202 -11.190 1.00 1.83 H new ATOM 0 HE3 LYS A 67 0.253 6.715 -10.530 1.00 1.83 H new ATOM 0 HZ1 LYS A 67 0.382 4.648 -11.779 1.00 2.55 H new ATOM 0 HZ2 LYS A 67 0.864 4.446 -10.164 1.00 2.55 H new ATOM 0 HZ3 LYS A 67 -0.662 3.900 -10.669 1.00 2.55 H new ATOM 1017 N THR A 68 -2.238 2.416 -6.759 1.00 0.23 N ATOM 1018 CA THR A 68 -2.515 1.045 -6.740 1.00 0.19 C ATOM 1019 C THR A 68 -1.514 0.388 -5.839 1.00 0.18 C ATOM 1020 O THR A 68 -0.503 1.014 -5.470 1.00 0.20 O ATOM 1021 CB THR A 68 -2.392 0.413 -8.137 1.00 0.18 C ATOM 1022 OG1 THR A 68 -1.056 0.601 -8.624 1.00 0.21 O ATOM 1023 CG2 THR A 68 -3.382 1.025 -9.115 1.00 0.22 C ATOM 0 H THR A 68 -1.332 2.660 -7.159 1.00 0.23 H new ATOM 0 HA THR A 68 -3.539 0.903 -6.393 1.00 0.19 H new ATOM 0 HB THR A 68 -2.617 -0.650 -8.053 1.00 0.18 H new ATOM 0 HG1 THR A 68 -0.972 0.198 -9.513 1.00 0.21 H new ATOM 0 HG21 THR A 68 -3.267 0.555 -10.092 1.00 0.22 H new ATOM 0 HG22 THR A 68 -4.398 0.865 -8.753 1.00 0.22 H new ATOM 0 HG23 THR A 68 -3.192 2.095 -9.203 1.00 0.22 H new ATOM 1031 N VAL A 69 -1.726 -0.865 -5.513 1.00 0.19 N ATOM 1032 CA VAL A 69 -0.757 -1.571 -4.733 1.00 0.18 C ATOM 1033 C VAL A 69 0.373 -1.997 -5.616 1.00 0.15 C ATOM 1034 O VAL A 69 1.450 -2.324 -5.156 1.00 0.17 O ATOM 1035 CB VAL A 69 -1.350 -2.700 -3.824 1.00 0.34 C ATOM 1036 CG1 VAL A 69 -2.832 -2.835 -4.050 1.00 1.05 C ATOM 1037 CG2 VAL A 69 -0.628 -4.049 -3.949 1.00 1.21 C ATOM 0 H VAL A 69 -2.551 -1.404 -5.775 1.00 0.19 H new ATOM 0 HA VAL A 69 -0.354 -0.884 -3.989 1.00 0.18 H new ATOM 0 HB VAL A 69 -1.178 -2.386 -2.794 1.00 0.34 H new ATOM 0 HG11 VAL A 69 -3.227 -3.624 -3.410 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.324 -1.892 -3.810 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -3.019 -3.086 -5.094 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.099 -4.776 -3.288 1.00 1.21 H new ATOM 0 HG22 VAL A 69 -0.690 -4.401 -4.979 1.00 1.21 H new ATOM 0 HG23 VAL A 69 0.419 -3.929 -3.669 1.00 1.21 H new ATOM 1047 N GLY A 70 0.135 -1.894 -6.912 1.00 0.14 N ATOM 1048 CA GLY A 70 1.195 -2.135 -7.854 1.00 0.16 C ATOM 1049 C GLY A 70 2.224 -1.054 -7.716 1.00 0.19 C ATOM 1050 O GLY A 70 3.411 -1.320 -7.601 1.00 0.33 O ATOM 0 H GLY A 70 -0.766 -1.650 -7.323 1.00 0.14 H new ATOM 0 HA2 GLY A 70 1.646 -3.110 -7.672 1.00 0.16 H new ATOM 0 HA3 GLY A 70 0.800 -2.151 -8.870 1.00 0.16 H new ATOM 1054 N ASP A 71 1.727 0.161 -7.624 1.00 0.17 N ATOM 1055 CA ASP A 71 2.559 1.362 -7.471 1.00 0.20 C ATOM 1056 C ASP A 71 3.266 1.291 -6.127 1.00 0.17 C ATOM 1057 O ASP A 71 4.492 1.452 -6.041 1.00 0.20 O ATOM 1058 CB ASP A 71 1.685 2.636 -7.483 1.00 0.32 C ATOM 1059 CG ASP A 71 2.391 3.839 -8.056 1.00 0.87 C ATOM 1060 OD1 ASP A 71 3.226 4.425 -7.341 1.00 1.28 O ATOM 1061 OD2 ASP A 71 2.161 4.193 -9.201 1.00 1.39 O ATOM 0 H ASP A 71 0.726 0.357 -7.652 1.00 0.17 H new ATOM 0 HA ASP A 71 3.271 1.404 -8.295 1.00 0.20 H new ATOM 0 HB2 ASP A 71 0.782 2.443 -8.062 1.00 0.32 H new ATOM 0 HB3 ASP A 71 1.368 2.860 -6.464 1.00 0.32 H new ATOM 1066 N ALA A 72 2.469 1.001 -5.084 1.00 0.15 N ATOM 1067 CA ALA A 72 2.952 0.921 -3.704 1.00 0.13 C ATOM 1068 C ALA A 72 4.045 -0.074 -3.569 1.00 0.12 C ATOM 1069 O ALA A 72 5.161 0.269 -3.263 1.00 0.14 O ATOM 1070 CB ALA A 72 1.822 0.457 -2.788 1.00 0.13 C ATOM 0 H ALA A 72 1.471 0.816 -5.180 1.00 0.15 H new ATOM 0 HA ALA A 72 3.312 1.913 -3.433 1.00 0.13 H new ATOM 0 HB1 ALA A 72 2.186 0.399 -1.762 1.00 0.13 H new ATOM 0 HB2 ALA A 72 0.996 1.167 -2.841 1.00 0.13 H new ATOM 0 HB3 ALA A 72 1.476 -0.526 -3.106 1.00 0.13 H new ATOM 1076 N THR A 73 3.717 -1.288 -3.862 1.00 0.11 N ATOM 1077 CA THR A 73 4.589 -2.395 -3.675 1.00 0.13 C ATOM 1078 C THR A 73 5.908 -2.282 -4.436 1.00 0.16 C ATOM 1079 O THR A 73 6.967 -2.637 -3.896 1.00 0.24 O ATOM 1080 CB THR A 73 3.883 -3.690 -4.001 1.00 0.14 C ATOM 1081 OG1 THR A 73 2.657 -3.742 -3.265 1.00 0.15 O ATOM 1082 CG2 THR A 73 4.731 -4.832 -3.597 1.00 0.17 C ATOM 0 H THR A 73 2.808 -1.543 -4.249 1.00 0.11 H new ATOM 0 HA THR A 73 4.860 -2.389 -2.619 1.00 0.13 H new ATOM 0 HB THR A 73 3.687 -3.742 -5.072 1.00 0.14 H new ATOM 0 HG1 THR A 73 1.996 -3.155 -3.688 1.00 0.15 H new ATOM 0 HG21 THR A 73 4.220 -5.766 -3.833 1.00 0.17 H new ATOM 0 HG22 THR A 73 5.678 -4.790 -4.135 1.00 0.17 H new ATOM 0 HG23 THR A 73 4.921 -4.783 -2.525 1.00 0.17 H new ATOM 1090 N LYS A 74 5.845 -1.780 -5.654 1.00 0.17 N ATOM 1091 CA LYS A 74 7.013 -1.566 -6.455 1.00 0.20 C ATOM 1092 C LYS A 74 7.897 -0.599 -5.741 1.00 0.23 C ATOM 1093 O LYS A 74 9.038 -0.893 -5.481 1.00 0.45 O ATOM 1094 CB LYS A 74 6.614 -1.005 -7.805 1.00 0.25 C ATOM 1095 CG LYS A 74 6.551 -2.021 -8.948 1.00 0.98 C ATOM 1096 CD LYS A 74 5.669 -3.213 -8.642 1.00 2.21 C ATOM 1097 CE LYS A 74 5.618 -4.178 -9.815 1.00 2.92 C ATOM 1098 NZ LYS A 74 6.949 -4.712 -10.179 1.00 3.63 N ATOM 0 H LYS A 74 4.973 -1.511 -6.109 1.00 0.17 H new ATOM 0 HA LYS A 74 7.540 -2.507 -6.614 1.00 0.20 H new ATOM 0 HB2 LYS A 74 5.637 -0.532 -7.708 1.00 0.25 H new ATOM 0 HB3 LYS A 74 7.321 -0.222 -8.077 1.00 0.25 H new ATOM 0 HG2 LYS A 74 6.181 -1.525 -9.846 1.00 0.98 H new ATOM 0 HG3 LYS A 74 7.559 -2.371 -9.170 1.00 0.98 H new ATOM 0 HD2 LYS A 74 6.046 -3.730 -7.759 1.00 2.21 H new ATOM 0 HD3 LYS A 74 4.661 -2.871 -8.405 1.00 2.21 H new ATOM 0 HE2 LYS A 74 4.954 -5.007 -9.569 1.00 2.92 H new ATOM 0 HE3 LYS A 74 5.187 -3.671 -10.678 1.00 2.92 H new ATOM 0 HZ1 LYS A 74 6.835 -5.508 -10.839 1.00 3.63 H new ATOM 0 HZ2 LYS A 74 7.511 -3.964 -10.632 1.00 3.63 H new ATOM 0 HZ3 LYS A 74 7.437 -5.041 -9.322 1.00 3.63 H new ATOM 1112 N TYR A 75 7.306 0.513 -5.343 1.00 0.16 N ATOM 1113 CA TYR A 75 7.989 1.556 -4.619 1.00 0.16 C ATOM 1114 C TYR A 75 8.629 1.003 -3.358 1.00 0.16 C ATOM 1115 O TYR A 75 9.800 1.248 -3.081 1.00 0.19 O ATOM 1116 CB TYR A 75 7.000 2.644 -4.234 1.00 0.16 C ATOM 1117 CG TYR A 75 7.648 3.786 -3.498 1.00 0.18 C ATOM 1118 CD1 TYR A 75 8.375 4.732 -4.188 1.00 0.26 C ATOM 1119 CD2 TYR A 75 7.489 3.947 -2.131 1.00 0.21 C ATOM 1120 CE1 TYR A 75 8.919 5.808 -3.553 1.00 0.32 C ATOM 1121 CE2 TYR A 75 8.047 5.027 -1.479 1.00 0.26 C ATOM 1122 CZ TYR A 75 8.914 5.804 -2.097 1.00 0.28 C ATOM 1123 OH TYR A 75 9.296 7.061 -1.571 1.00 0.40 O ATOM 0 H TYR A 75 6.322 0.715 -5.519 1.00 0.16 H new ATOM 0 HA TYR A 75 8.767 1.967 -5.262 1.00 0.16 H new ATOM 0 HB2 TYR A 75 6.517 3.025 -5.134 1.00 0.16 H new ATOM 0 HB3 TYR A 75 6.217 2.213 -3.610 1.00 0.16 H new ATOM 0 HD1 TYR A 75 8.516 4.618 -5.253 1.00 0.26 H new ATOM 0 HD2 TYR A 75 6.922 3.219 -1.570 1.00 0.21 H new ATOM 0 HE1 TYR A 75 9.338 6.633 -4.109 1.00 0.32 H new ATOM 0 HE2 TYR A 75 7.772 5.237 -0.456 1.00 0.26 H new ATOM 0 HH TYR A 75 9.281 7.024 -0.592 1.00 0.40 H new ATOM 1133 N ILE A 76 7.845 0.272 -2.617 1.00 0.14 N ATOM 1134 CA ILE A 76 8.249 -0.317 -1.374 1.00 0.16 C ATOM 1135 C ILE A 76 9.463 -1.224 -1.564 1.00 0.17 C ATOM 1136 O ILE A 76 10.534 -0.867 -1.144 1.00 0.21 O ATOM 1137 CB ILE A 76 7.060 -1.110 -0.798 1.00 0.15 C ATOM 1138 CG1 ILE A 76 5.963 -0.149 -0.405 1.00 0.13 C ATOM 1139 CG2 ILE A 76 7.468 -1.935 0.399 1.00 0.19 C ATOM 1140 CD1 ILE A 76 4.642 -0.816 -0.215 1.00 0.13 C ATOM 0 H ILE A 76 6.879 0.064 -2.870 1.00 0.14 H new ATOM 0 HA ILE A 76 8.540 0.469 -0.678 1.00 0.16 H new ATOM 0 HB ILE A 76 6.703 -1.795 -1.567 1.00 0.15 H new ATOM 0 HG12 ILE A 76 6.244 0.356 0.519 1.00 0.13 H new ATOM 0 HG13 ILE A 76 5.869 0.619 -1.173 1.00 0.13 H new ATOM 0 HG21 ILE A 76 6.603 -2.480 0.777 1.00 0.19 H new ATOM 0 HG22 ILE A 76 8.243 -2.643 0.106 1.00 0.19 H new ATOM 0 HG23 ILE A 76 7.853 -1.278 1.179 1.00 0.19 H new ATOM 0 HD11 ILE A 76 3.896 -0.073 0.066 1.00 0.13 H new ATOM 0 HD12 ILE A 76 4.341 -1.298 -1.145 1.00 0.13 H new ATOM 0 HD13 ILE A 76 4.723 -1.565 0.573 1.00 0.13 H new ATOM 1152 N LEU A 77 9.286 -2.328 -2.279 1.00 0.17 N ATOM 1153 CA LEU A 77 10.292 -3.362 -2.507 1.00 0.20 C ATOM 1154 C LEU A 77 11.565 -2.732 -3.036 1.00 0.22 C ATOM 1155 O LEU A 77 12.658 -2.960 -2.510 1.00 0.29 O ATOM 1156 CB LEU A 77 9.706 -4.301 -3.583 1.00 0.23 C ATOM 1157 CG LEU A 77 10.330 -5.676 -3.897 1.00 0.78 C ATOM 1158 CD1 LEU A 77 9.535 -6.275 -5.024 1.00 1.08 C ATOM 1159 CD2 LEU A 77 11.799 -5.611 -4.303 1.00 1.44 C ATOM 0 H LEU A 77 8.399 -2.538 -2.737 1.00 0.17 H new ATOM 0 HA LEU A 77 10.528 -3.895 -1.586 1.00 0.20 H new ATOM 0 HB2 LEU A 77 8.667 -4.483 -3.309 1.00 0.23 H new ATOM 0 HB3 LEU A 77 9.696 -3.740 -4.517 1.00 0.23 H new ATOM 0 HG LEU A 77 10.297 -6.276 -2.988 1.00 0.78 H new ATOM 0 HD11 LEU A 77 9.945 -7.252 -5.279 1.00 1.08 H new ATOM 0 HD12 LEU A 77 8.495 -6.386 -4.717 1.00 1.08 H new ATOM 0 HD13 LEU A 77 9.588 -5.621 -5.895 1.00 1.08 H new ATOM 0 HD21 LEU A 77 12.165 -6.617 -4.507 1.00 1.44 H new ATOM 0 HD22 LEU A 77 11.902 -4.999 -5.199 1.00 1.44 H new ATOM 0 HD23 LEU A 77 12.381 -5.171 -3.493 1.00 1.44 H new ATOM 1171 N ASP A 78 11.377 -1.876 -4.011 1.00 0.22 N ATOM 1172 CA ASP A 78 12.454 -1.281 -4.773 1.00 0.29 C ATOM 1173 C ASP A 78 13.285 -0.367 -3.908 1.00 0.30 C ATOM 1174 O ASP A 78 14.483 -0.190 -4.127 1.00 0.36 O ATOM 1175 CB ASP A 78 11.859 -0.562 -6.001 1.00 0.45 C ATOM 1176 CG ASP A 78 12.833 0.269 -6.797 1.00 0.49 C ATOM 1177 OD1 ASP A 78 13.541 -0.280 -7.655 1.00 0.63 O ATOM 1178 OD2 ASP A 78 12.957 1.488 -6.523 1.00 0.59 O ATOM 0 H ASP A 78 10.451 -1.565 -4.305 1.00 0.22 H new ATOM 0 HA ASP A 78 13.133 -2.056 -5.129 1.00 0.29 H new ATOM 0 HB2 ASP A 78 11.420 -1.310 -6.662 1.00 0.45 H new ATOM 0 HB3 ASP A 78 11.047 0.083 -5.665 1.00 0.45 H new ATOM 1183 N HIS A 79 12.659 0.186 -2.905 1.00 0.29 N ATOM 1184 CA HIS A 79 13.336 1.055 -1.990 1.00 0.36 C ATOM 1185 C HIS A 79 13.661 0.387 -0.636 1.00 0.42 C ATOM 1186 O HIS A 79 14.268 1.017 0.223 1.00 0.58 O ATOM 1187 CB HIS A 79 12.593 2.382 -1.823 1.00 0.38 C ATOM 1188 CG HIS A 79 12.602 3.251 -3.060 1.00 0.61 C ATOM 1189 ND1 HIS A 79 11.765 3.279 -4.122 1.00 0.99 N flip ATOM 1190 CD2 HIS A 79 13.541 4.229 -3.308 1.00 0.87 C flip ATOM 1191 CE1 HIS A 79 12.204 4.253 -4.968 1.00 1.25 C flip ATOM 1192 NE2 HIS A 79 13.272 4.811 -4.459 1.00 1.18 N flip ATOM 0 H HIS A 79 11.669 0.046 -2.702 1.00 0.29 H new ATOM 0 HA HIS A 79 14.304 1.278 -2.439 1.00 0.36 H new ATOM 0 HB2 HIS A 79 11.560 2.176 -1.544 1.00 0.38 H new ATOM 0 HB3 HIS A 79 13.041 2.936 -0.999 1.00 0.38 H new ATOM 0 HD1 HIS A 79 10.952 2.679 -4.264 1.00 0.99 H new ATOM 0 HD2 HIS A 79 14.368 4.479 -2.660 1.00 0.87 H new ATOM 0 HE1 HIS A 79 11.744 4.521 -5.908 1.00 1.25 H new ATOM 1201 N GLN A 80 13.248 -0.884 -0.432 1.00 0.39 N ATOM 1202 CA GLN A 80 13.611 -1.586 0.799 1.00 0.49 C ATOM 1203 C GLN A 80 14.998 -2.037 0.634 1.00 0.58 C ATOM 1204 O GLN A 80 15.924 -1.621 1.336 1.00 0.83 O ATOM 1205 CB GLN A 80 12.813 -2.853 1.037 1.00 0.67 C ATOM 1206 CG GLN A 80 11.345 -2.781 0.889 1.00 0.52 C ATOM 1207 CD GLN A 80 10.707 -4.150 1.002 1.00 0.57 C ATOM 1208 OE1 GLN A 80 9.491 -4.160 1.355 1.00 0.87 O flip ATOM 1209 NE2 GLN A 80 11.308 -5.184 0.708 1.00 0.56 N flip ATOM 0 H GLN A 80 12.681 -1.423 -1.087 1.00 0.39 H new ATOM 0 HA GLN A 80 13.434 -0.898 1.626 1.00 0.49 H new ATOM 0 HB2 GLN A 80 13.182 -3.615 0.350 1.00 0.67 H new ATOM 0 HB3 GLN A 80 13.031 -3.201 2.047 1.00 0.67 H new ATOM 0 HG2 GLN A 80 10.933 -2.122 1.654 1.00 0.52 H new ATOM 0 HG3 GLN A 80 11.097 -2.342 -0.077 1.00 0.52 H new ATOM 0 HE21 GLN A 80 12.288 -5.142 0.427 1.00 0.56 H new ATOM 0 HE22 GLN A 80 10.826 -6.082 0.745 1.00 0.56 H new