USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 439 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 24 ASN : amide:sc= -0.882! C(o=-14!,f=-15!) USER MOD Set 1.2: A 26 SER OG : rot 107:sc= 0.399 USER MOD Set 1.3: A 60 ASN : amide:sc= -12.1! C(o=-14!,f=-20!) USER MOD Set 1.4: A 62 GLN : amide:sc= -1.92 K(o=-14,f=-17!) USER MOD Set 2.1: A 29 SER OG : rot 180:sc= -0.13 USER MOD Set 2.2: A 52 MET CE :methyl -165:sc= -4.09! (180deg=-4.44!) USER MOD Single : A 5 THR OG1 : rot -70:sc= 0.141 USER MOD Single : A 8 GLN : amide:sc= -4.52! C(o=-4.5!,f=-2.7!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.1) USER MOD Single : A 28 SER OG : rot 110:sc= 0.619 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 97:sc= 0.866 USER MOD Single : A 44 SER OG : rot 41:sc= 0.869 USER MOD Single : A 49 ASN : amide:sc= -0.645 K(o=-0.64,f=-0.054) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 61 HIS : no HD1:sc= -1.67! C(o=-1.7!,f=-2.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -111:sc= -5.66! (180deg=-11.3!) USER MOD ----------------------------------------------------------------- ATOM 39 N LEU A 4 -15.316 -0.335 -19.142 1.00 0.00 N ATOM 40 CA LEU A 4 -14.477 -0.101 -17.932 1.00 0.00 C ATOM 41 C LEU A 4 -15.287 -0.405 -16.663 1.00 0.00 C ATOM 42 O LEU A 4 -15.753 -1.510 -16.471 1.00 0.00 O ATOM 43 CB LEU A 4 -14.089 1.377 -18.004 1.00 0.00 C ATOM 44 CG LEU A 4 -13.344 1.646 -19.312 1.00 0.00 C ATOM 45 CD1 LEU A 4 -14.284 2.329 -20.305 1.00 0.00 C ATOM 46 CD2 LEU A 4 -12.145 2.557 -19.036 1.00 0.00 C ATOM 0 HA LEU A 4 -13.597 -0.744 -17.898 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.981 2.001 -17.946 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.460 1.641 -17.154 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.996 0.702 -19.733 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.752 2.520 -21.237 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -15.139 1.682 -20.501 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -14.633 3.273 -19.886 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.613 2.750 -19.967 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -12.494 3.500 -18.615 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.474 2.070 -18.328 1.00 0.00 H new ATOM 58 N THR A 5 -15.464 0.558 -15.795 1.00 0.00 N ATOM 59 CA THR A 5 -16.248 0.302 -14.549 1.00 0.00 C ATOM 60 C THR A 5 -15.713 -0.942 -13.835 1.00 0.00 C ATOM 61 O THR A 5 -14.530 -1.215 -13.849 1.00 0.00 O ATOM 62 CB THR A 5 -17.694 0.075 -15.013 1.00 0.00 C ATOM 63 OG1 THR A 5 -17.858 -1.276 -15.422 1.00 0.00 O ATOM 64 CG2 THR A 5 -18.022 1.007 -16.182 1.00 0.00 C ATOM 0 H THR A 5 -15.102 1.506 -15.894 1.00 0.00 H new ATOM 0 HA THR A 5 -16.177 1.131 -13.845 1.00 0.00 H new ATOM 0 HB THR A 5 -18.370 0.289 -14.185 1.00 0.00 H new ATOM 0 HG1 THR A 5 -17.364 -1.428 -16.254 1.00 0.00 H new ATOM 0 HG21 THR A 5 -19.050 0.839 -16.504 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.906 2.043 -15.865 1.00 0.00 H new ATOM 0 HG23 THR A 5 -17.344 0.804 -17.011 1.00 0.00 H new ATOM 72 N GLU A 6 -16.577 -1.697 -13.213 1.00 0.00 N ATOM 73 CA GLU A 6 -16.120 -2.925 -12.498 1.00 0.00 C ATOM 74 C GLU A 6 -15.075 -3.665 -13.334 1.00 0.00 C ATOM 75 O GLU A 6 -14.207 -4.337 -12.813 1.00 0.00 O ATOM 76 CB GLU A 6 -17.382 -3.772 -12.332 1.00 0.00 C ATOM 77 CG GLU A 6 -17.736 -4.442 -13.663 1.00 0.00 C ATOM 78 CD GLU A 6 -16.981 -5.768 -13.785 1.00 0.00 C ATOM 79 OE1 GLU A 6 -16.099 -6.000 -12.976 1.00 0.00 O ATOM 80 OE2 GLU A 6 -17.300 -6.528 -14.684 1.00 0.00 O ATOM 0 H GLU A 6 -17.580 -1.517 -13.168 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.652 -2.700 -11.540 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -17.224 -4.529 -11.564 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -18.210 -3.146 -11.998 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -18.810 -4.617 -13.720 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -17.476 -3.785 -14.493 1.00 0.00 H new ATOM 87 N GLU A 7 -15.149 -3.538 -14.629 1.00 0.00 N ATOM 88 CA GLU A 7 -14.160 -4.224 -15.504 1.00 0.00 C ATOM 89 C GLU A 7 -12.804 -3.530 -15.382 1.00 0.00 C ATOM 90 O GLU A 7 -11.782 -4.164 -15.202 1.00 0.00 O ATOM 91 CB GLU A 7 -14.713 -4.081 -16.922 1.00 0.00 C ATOM 92 CG GLU A 7 -14.082 -5.140 -17.827 1.00 0.00 C ATOM 93 CD GLU A 7 -14.720 -6.501 -17.543 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.887 -6.523 -17.186 1.00 0.00 O ATOM 95 OE2 GLU A 7 -14.032 -7.498 -17.687 1.00 0.00 O ATOM 0 H GLU A 7 -15.853 -2.987 -15.120 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.016 -5.270 -15.235 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.797 -4.194 -16.914 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.500 -3.084 -17.308 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.225 -4.871 -18.874 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -13.007 -5.187 -17.654 1.00 0.00 H new ATOM 102 N GLN A 8 -12.790 -2.227 -15.459 1.00 0.00 N ATOM 103 CA GLN A 8 -11.500 -1.496 -15.329 1.00 0.00 C ATOM 104 C GLN A 8 -11.038 -1.552 -13.871 1.00 0.00 C ATOM 105 O GLN A 8 -9.889 -1.812 -13.581 1.00 0.00 O ATOM 106 CB GLN A 8 -11.795 -0.056 -15.781 1.00 0.00 C ATOM 107 CG GLN A 8 -12.289 0.789 -14.601 1.00 0.00 C ATOM 108 CD GLN A 8 -12.533 2.226 -15.066 1.00 0.00 C ATOM 109 OE1 GLN A 8 -13.463 2.870 -14.624 1.00 0.00 O ATOM 110 NE2 GLN A 8 -11.731 2.760 -15.948 1.00 0.00 N ATOM 0 H GLN A 8 -13.612 -1.641 -15.606 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.701 -1.927 -15.932 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -10.895 0.390 -16.203 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.547 -0.064 -16.570 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.209 0.366 -14.197 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.552 0.776 -13.798 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.950 2.220 -16.320 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -11.886 3.717 -16.265 1.00 0.00 H new ATOM 119 N ILE A 9 -11.939 -1.328 -12.954 1.00 0.00 N ATOM 120 CA ILE A 9 -11.569 -1.385 -11.515 1.00 0.00 C ATOM 121 C ILE A 9 -10.915 -2.731 -11.209 1.00 0.00 C ATOM 122 O ILE A 9 -9.761 -2.801 -10.845 1.00 0.00 O ATOM 123 CB ILE A 9 -12.889 -1.254 -10.761 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.508 0.116 -11.047 1.00 0.00 C ATOM 125 CG2 ILE A 9 -12.633 -1.398 -9.262 1.00 0.00 C ATOM 126 CD1 ILE A 9 -15.030 0.015 -10.956 1.00 0.00 C ATOM 0 H ILE A 9 -12.917 -1.108 -13.142 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.862 -0.605 -11.233 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.575 -2.035 -11.089 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.138 0.851 -10.332 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.214 0.460 -12.039 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.575 -1.305 -8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.194 -2.375 -9.060 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -11.947 -0.617 -8.933 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -15.472 0.990 -11.160 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.391 -0.707 -11.688 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -15.314 -0.310 -9.955 1.00 0.00 H new ATOM 138 N ALA A 10 -11.645 -3.802 -11.361 1.00 0.00 N ATOM 139 CA ALA A 10 -11.056 -5.142 -11.084 1.00 0.00 C ATOM 140 C ALA A 10 -9.654 -5.224 -11.692 1.00 0.00 C ATOM 141 O ALA A 10 -8.701 -5.614 -11.042 1.00 0.00 O ATOM 142 CB ALA A 10 -11.996 -6.140 -11.761 1.00 0.00 C ATOM 0 H ALA A 10 -12.619 -3.807 -11.664 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.958 -5.343 -10.017 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.627 -7.153 -11.601 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.995 -6.046 -11.335 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.037 -5.934 -12.831 1.00 0.00 H new ATOM 148 N GLU A 11 -9.521 -4.850 -12.936 1.00 0.00 N ATOM 149 CA GLU A 11 -8.182 -4.895 -13.588 1.00 0.00 C ATOM 150 C GLU A 11 -7.213 -3.977 -12.841 1.00 0.00 C ATOM 151 O GLU A 11 -6.063 -4.309 -12.627 1.00 0.00 O ATOM 152 CB GLU A 11 -8.414 -4.389 -15.011 1.00 0.00 C ATOM 153 CG GLU A 11 -7.324 -4.937 -15.933 1.00 0.00 C ATOM 154 CD GLU A 11 -7.337 -4.167 -17.256 1.00 0.00 C ATOM 155 OE1 GLU A 11 -8.391 -4.091 -17.863 1.00 0.00 O ATOM 156 OE2 GLU A 11 -6.292 -3.667 -17.637 1.00 0.00 O ATOM 0 H GLU A 11 -10.281 -4.516 -13.528 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.748 -5.895 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.396 -4.704 -15.364 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.404 -3.299 -15.027 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.349 -4.844 -15.456 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.489 -5.999 -16.117 1.00 0.00 H new ATOM 163 N PHE A 12 -7.674 -2.826 -12.434 1.00 0.00 N ATOM 164 CA PHE A 12 -6.785 -1.888 -11.692 1.00 0.00 C ATOM 165 C PHE A 12 -6.405 -2.498 -10.342 1.00 0.00 C ATOM 166 O PHE A 12 -5.245 -2.564 -9.986 1.00 0.00 O ATOM 167 CB PHE A 12 -7.620 -0.621 -11.502 1.00 0.00 C ATOM 168 CG PHE A 12 -7.763 0.088 -12.829 1.00 0.00 C ATOM 169 CD1 PHE A 12 -6.645 0.258 -13.653 1.00 0.00 C ATOM 170 CD2 PHE A 12 -9.012 0.573 -13.236 1.00 0.00 C ATOM 171 CE1 PHE A 12 -6.774 0.914 -14.883 1.00 0.00 C ATOM 172 CE2 PHE A 12 -9.141 1.228 -14.466 1.00 0.00 C ATOM 173 CZ PHE A 12 -8.022 1.399 -15.289 1.00 0.00 C ATOM 0 H PHE A 12 -8.627 -2.495 -12.583 1.00 0.00 H new ATOM 0 HA PHE A 12 -5.855 -1.680 -12.221 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.603 -0.876 -11.105 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.143 0.037 -10.775 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.682 -0.117 -13.340 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.876 0.442 -12.601 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.911 1.046 -15.518 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -10.104 1.602 -14.780 1.00 0.00 H new ATOM 0 HZ PHE A 12 -8.122 1.905 -16.238 1.00 0.00 H new ATOM 183 N LYS A 13 -7.375 -2.953 -9.594 1.00 0.00 N ATOM 184 CA LYS A 13 -7.075 -3.570 -8.272 1.00 0.00 C ATOM 185 C LYS A 13 -5.842 -4.466 -8.395 1.00 0.00 C ATOM 186 O LYS A 13 -4.878 -4.314 -7.673 1.00 0.00 O ATOM 187 CB LYS A 13 -8.312 -4.402 -7.930 1.00 0.00 C ATOM 188 CG LYS A 13 -9.323 -3.530 -7.182 1.00 0.00 C ATOM 189 CD LYS A 13 -10.174 -4.410 -6.264 1.00 0.00 C ATOM 190 CE LYS A 13 -9.943 -3.999 -4.807 1.00 0.00 C ATOM 191 NZ LYS A 13 -11.299 -3.990 -4.191 1.00 0.00 N ATOM 0 H LYS A 13 -8.364 -2.923 -9.843 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.864 -2.829 -7.501 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -8.761 -4.797 -8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.030 -5.258 -7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -8.803 -2.772 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.961 -3.003 -7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.229 -4.308 -6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.913 -5.459 -6.403 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -9.283 -4.702 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -9.474 -3.017 -4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.224 -3.717 -3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.903 -3.307 -4.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.718 -4.939 -4.260 1.00 0.00 H new ATOM 205 N GLU A 14 -5.859 -5.387 -9.321 1.00 0.00 N ATOM 206 CA GLU A 14 -4.673 -6.270 -9.497 1.00 0.00 C ATOM 207 C GLU A 14 -3.432 -5.404 -9.720 1.00 0.00 C ATOM 208 O GLU A 14 -2.396 -5.609 -9.116 1.00 0.00 O ATOM 209 CB GLU A 14 -4.980 -7.107 -10.740 1.00 0.00 C ATOM 210 CG GLU A 14 -4.001 -8.281 -10.820 1.00 0.00 C ATOM 211 CD GLU A 14 -4.478 -9.271 -11.883 1.00 0.00 C ATOM 212 OE1 GLU A 14 -5.642 -9.634 -11.848 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.669 -9.651 -12.715 1.00 0.00 O ATOM 0 H GLU A 14 -6.636 -5.564 -9.957 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.481 -6.902 -8.630 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -6.005 -7.476 -10.699 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.899 -6.491 -11.635 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.003 -7.920 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.931 -8.776 -9.852 1.00 0.00 H new ATOM 220 N ALA A 15 -3.538 -4.422 -10.575 1.00 0.00 N ATOM 221 CA ALA A 15 -2.375 -3.528 -10.830 1.00 0.00 C ATOM 222 C ALA A 15 -2.011 -2.781 -9.545 1.00 0.00 C ATOM 223 O ALA A 15 -0.864 -2.731 -9.149 1.00 0.00 O ATOM 224 CB ALA A 15 -2.852 -2.550 -11.905 1.00 0.00 C ATOM 0 H ALA A 15 -4.380 -4.202 -11.107 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.488 -4.075 -11.150 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -2.048 -1.856 -12.148 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.136 -3.103 -12.800 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -3.712 -1.993 -11.534 1.00 0.00 H new ATOM 230 N PHE A 16 -2.984 -2.209 -8.885 1.00 0.00 N ATOM 231 CA PHE A 16 -2.688 -1.478 -7.621 1.00 0.00 C ATOM 232 C PHE A 16 -1.734 -2.307 -6.763 1.00 0.00 C ATOM 233 O PHE A 16 -0.640 -1.883 -6.444 1.00 0.00 O ATOM 234 CB PHE A 16 -4.038 -1.323 -6.919 1.00 0.00 C ATOM 235 CG PHE A 16 -3.808 -0.889 -5.490 1.00 0.00 C ATOM 236 CD1 PHE A 16 -3.483 0.444 -5.207 1.00 0.00 C ATOM 237 CD2 PHE A 16 -3.917 -1.818 -4.449 1.00 0.00 C ATOM 238 CE1 PHE A 16 -3.269 0.846 -3.884 1.00 0.00 C ATOM 239 CE2 PHE A 16 -3.701 -1.415 -3.125 1.00 0.00 C ATOM 240 CZ PHE A 16 -3.377 -0.083 -2.843 1.00 0.00 C ATOM 0 H PHE A 16 -3.965 -2.217 -9.166 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.215 -0.512 -7.799 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.650 -0.588 -7.441 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.584 -2.266 -6.942 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.398 1.161 -6.010 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -4.168 -2.846 -4.667 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.020 1.874 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.784 -2.132 -2.322 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.210 0.228 -1.822 1.00 0.00 H new ATOM 250 N ALA A 17 -2.135 -3.493 -6.394 1.00 0.00 N ATOM 251 CA ALA A 17 -1.245 -4.353 -5.566 1.00 0.00 C ATOM 252 C ALA A 17 0.160 -4.364 -6.169 1.00 0.00 C ATOM 253 O ALA A 17 1.143 -4.178 -5.482 1.00 0.00 O ATOM 254 CB ALA A 17 -1.869 -5.748 -5.626 1.00 0.00 C ATOM 0 H ALA A 17 -3.039 -3.902 -6.630 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.155 -3.998 -4.539 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.268 -6.441 -5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.881 -5.712 -5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.904 -6.087 -6.661 1.00 0.00 H new ATOM 260 N LEU A 18 0.260 -4.574 -7.456 1.00 0.00 N ATOM 261 CA LEU A 18 1.602 -4.584 -8.102 1.00 0.00 C ATOM 262 C LEU A 18 2.418 -3.384 -7.615 1.00 0.00 C ATOM 263 O LEU A 18 3.580 -3.502 -7.281 1.00 0.00 O ATOM 264 CB LEU A 18 1.324 -4.476 -9.601 1.00 0.00 C ATOM 265 CG LEU A 18 1.920 -5.686 -10.320 1.00 0.00 C ATOM 266 CD1 LEU A 18 0.888 -6.815 -10.362 1.00 0.00 C ATOM 267 CD2 LEU A 18 2.303 -5.293 -11.749 1.00 0.00 C ATOM 0 H LEU A 18 -0.527 -4.738 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 18 2.174 -5.481 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.250 -4.427 -9.780 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.755 -3.556 -9.996 1.00 0.00 H new ATOM 0 HG LEU A 18 2.807 -6.025 -9.785 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.313 -7.678 -10.875 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.614 -7.096 -9.345 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.000 -6.477 -10.896 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.728 -6.156 -12.262 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.416 -4.954 -12.283 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.039 -4.489 -11.721 1.00 0.00 H new ATOM 279 N PHE A 19 1.813 -2.228 -7.566 1.00 0.00 N ATOM 280 CA PHE A 19 2.548 -1.020 -7.093 1.00 0.00 C ATOM 281 C PHE A 19 2.840 -1.145 -5.596 1.00 0.00 C ATOM 282 O PHE A 19 3.926 -0.851 -5.137 1.00 0.00 O ATOM 283 CB PHE A 19 1.602 0.154 -7.358 1.00 0.00 C ATOM 284 CG PHE A 19 1.300 0.251 -8.837 1.00 0.00 C ATOM 285 CD1 PHE A 19 2.195 -0.277 -9.777 1.00 0.00 C ATOM 286 CD2 PHE A 19 0.121 0.873 -9.267 1.00 0.00 C ATOM 287 CE1 PHE A 19 1.911 -0.182 -11.144 1.00 0.00 C ATOM 288 CE2 PHE A 19 -0.161 0.968 -10.635 1.00 0.00 C ATOM 289 CZ PHE A 19 0.734 0.440 -11.574 1.00 0.00 C ATOM 0 H PHE A 19 0.842 -2.068 -7.833 1.00 0.00 H new ATOM 0 HA PHE A 19 3.504 -0.890 -7.600 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.677 0.020 -6.798 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.054 1.082 -7.009 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.104 -0.757 -9.446 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.570 1.279 -8.543 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.601 -0.589 -11.868 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.069 1.449 -10.967 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.516 0.513 -12.629 1.00 0.00 H new ATOM 299 N ASP A 20 1.877 -1.585 -4.831 1.00 0.00 N ATOM 300 CA ASP A 20 2.096 -1.737 -3.364 1.00 0.00 C ATOM 301 C ASP A 20 3.152 -2.814 -3.102 1.00 0.00 C ATOM 302 O ASP A 20 3.956 -2.704 -2.198 1.00 0.00 O ATOM 303 CB ASP A 20 0.740 -2.165 -2.807 1.00 0.00 C ATOM 304 CG ASP A 20 0.924 -2.706 -1.391 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.492 -1.997 -0.579 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.497 -3.819 -1.143 1.00 0.00 O ATOM 0 H ASP A 20 0.947 -1.846 -5.159 1.00 0.00 H new ATOM 0 HA ASP A 20 2.455 -0.819 -2.898 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.054 -1.318 -2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.296 -2.929 -3.446 1.00 0.00 H new ATOM 311 N LYS A 21 3.158 -3.849 -3.897 1.00 0.00 N ATOM 312 CA LYS A 21 4.165 -4.940 -3.720 1.00 0.00 C ATOM 313 C LYS A 21 3.905 -5.738 -2.435 1.00 0.00 C ATOM 314 O LYS A 21 4.774 -6.430 -1.944 1.00 0.00 O ATOM 315 CB LYS A 21 5.520 -4.232 -3.650 1.00 0.00 C ATOM 316 CG LYS A 21 6.370 -4.644 -4.854 1.00 0.00 C ATOM 317 CD LYS A 21 7.283 -5.807 -4.461 1.00 0.00 C ATOM 318 CE LYS A 21 7.022 -6.996 -5.388 1.00 0.00 C ATOM 319 NZ LYS A 21 7.806 -8.119 -4.803 1.00 0.00 N ATOM 0 H LYS A 21 2.505 -3.989 -4.668 1.00 0.00 H new ATOM 0 HA LYS A 21 4.120 -5.659 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.378 -3.151 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.032 -4.492 -2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.726 -4.937 -5.683 1.00 0.00 H new ATOM 0 HG3 LYS A 21 6.967 -3.799 -5.197 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.327 -5.502 -4.528 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.100 -6.093 -3.425 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.960 -7.237 -5.432 1.00 0.00 H new ATOM 0 HE3 LYS A 21 7.342 -6.780 -6.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.678 -8.972 -5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.814 -7.864 -4.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.475 -8.307 -3.835 1.00 0.00 H new ATOM 333 N ASP A 22 2.720 -5.665 -1.891 1.00 0.00 N ATOM 334 CA ASP A 22 2.430 -6.442 -0.646 1.00 0.00 C ATOM 335 C ASP A 22 0.932 -6.404 -0.316 1.00 0.00 C ATOM 336 O ASP A 22 0.537 -6.568 0.821 1.00 0.00 O ATOM 337 CB ASP A 22 3.247 -5.766 0.456 1.00 0.00 C ATOM 338 CG ASP A 22 3.048 -4.252 0.396 1.00 0.00 C ATOM 339 OD1 ASP A 22 1.989 -3.798 0.793 1.00 0.00 O ATOM 340 OD2 ASP A 22 3.960 -3.571 -0.042 1.00 0.00 O ATOM 0 H ASP A 22 1.945 -5.107 -2.249 1.00 0.00 H new ATOM 0 HA ASP A 22 2.695 -7.494 -0.756 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.941 -6.144 1.432 1.00 0.00 H new ATOM 0 HB3 ASP A 22 4.303 -6.008 0.338 1.00 0.00 H new ATOM 345 N ASN A 23 0.101 -6.202 -1.305 1.00 0.00 N ATOM 346 CA ASN A 23 -1.376 -6.163 -1.069 1.00 0.00 C ATOM 347 C ASN A 23 -1.706 -5.503 0.274 1.00 0.00 C ATOM 348 O ASN A 23 -2.640 -5.888 0.948 1.00 0.00 O ATOM 349 CB ASN A 23 -1.821 -7.626 -1.057 1.00 0.00 C ATOM 350 CG ASN A 23 -1.107 -8.396 -2.171 1.00 0.00 C ATOM 351 OD1 ASN A 23 -1.645 -8.571 -3.246 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.092 -8.865 -1.958 1.00 0.00 N ATOM 0 H ASN A 23 0.383 -6.061 -2.275 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.884 -5.580 -1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.596 -8.076 -0.090 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.901 -7.688 -1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.577 -9.378 -2.694 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.544 -8.718 -1.056 1.00 0.00 H new ATOM 359 N ASN A 24 -0.956 -4.511 0.667 1.00 0.00 N ATOM 360 CA ASN A 24 -1.246 -3.834 1.965 1.00 0.00 C ATOM 361 C ASN A 24 -2.326 -2.768 1.769 1.00 0.00 C ATOM 362 O ASN A 24 -2.545 -1.929 2.620 1.00 0.00 O ATOM 363 CB ASN A 24 0.075 -3.189 2.383 1.00 0.00 C ATOM 364 CG ASN A 24 -0.153 -2.299 3.606 1.00 0.00 C ATOM 365 OD1 ASN A 24 0.109 -1.113 3.565 1.00 0.00 O ATOM 366 ND2 ASN A 24 -0.636 -2.824 4.699 1.00 0.00 N ATOM 0 H ASN A 24 -0.159 -4.140 0.150 1.00 0.00 H new ATOM 0 HA ASN A 24 -1.614 -4.528 2.721 1.00 0.00 H new ATOM 0 HB2 ASN A 24 0.811 -3.960 2.613 1.00 0.00 H new ATOM 0 HB3 ASN A 24 0.479 -2.598 1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -0.794 -2.239 5.519 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -0.856 -3.819 4.733 1.00 0.00 H new ATOM 373 N GLY A 25 -2.999 -2.793 0.651 1.00 0.00 N ATOM 374 CA GLY A 25 -4.061 -1.780 0.398 1.00 0.00 C ATOM 375 C GLY A 25 -3.455 -0.379 0.495 1.00 0.00 C ATOM 376 O GLY A 25 -4.131 0.580 0.813 1.00 0.00 O ATOM 0 H GLY A 25 -2.859 -3.471 -0.098 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.498 -1.933 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.867 -1.892 1.124 1.00 0.00 H new ATOM 380 N SER A 26 -2.185 -0.255 0.227 1.00 0.00 N ATOM 381 CA SER A 26 -1.533 1.082 0.307 1.00 0.00 C ATOM 382 C SER A 26 -0.199 1.062 -0.444 1.00 0.00 C ATOM 383 O SER A 26 0.564 0.122 -0.351 1.00 0.00 O ATOM 384 CB SER A 26 -1.313 1.321 1.800 1.00 0.00 C ATOM 385 OG SER A 26 0.057 1.620 2.037 1.00 0.00 O ATOM 0 H SER A 26 -1.570 -1.022 -0.044 1.00 0.00 H new ATOM 0 HA SER A 26 -2.136 1.869 -0.145 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.940 2.144 2.143 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.607 0.438 2.367 1.00 0.00 H new ATOM 0 HG SER A 26 0.153 2.574 2.242 1.00 0.00 H new ATOM 391 N ILE A 27 0.088 2.094 -1.189 1.00 0.00 N ATOM 392 CA ILE A 27 1.371 2.133 -1.949 1.00 0.00 C ATOM 393 C ILE A 27 2.290 3.219 -1.377 1.00 0.00 C ATOM 394 O ILE A 27 1.839 4.232 -0.883 1.00 0.00 O ATOM 395 CB ILE A 27 0.957 2.455 -3.392 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.662 1.151 -4.133 1.00 0.00 C ATOM 397 CG2 ILE A 27 2.080 3.200 -4.120 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.674 1.276 -4.866 1.00 0.00 C ATOM 0 H ILE A 27 -0.510 2.912 -1.305 1.00 0.00 H new ATOM 0 HA ILE A 27 1.927 1.198 -1.889 1.00 0.00 H new ATOM 0 HB ILE A 27 0.069 3.087 -3.370 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.460 0.934 -4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.627 0.319 -3.429 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.769 3.420 -5.141 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.296 4.132 -3.598 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.976 2.579 -4.140 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -0.887 0.347 -5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.468 1.473 -4.145 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.621 2.097 -5.581 1.00 0.00 H new ATOM 410 N SER A 28 3.576 3.013 -1.449 1.00 0.00 N ATOM 411 CA SER A 28 4.528 4.029 -0.918 1.00 0.00 C ATOM 412 C SER A 28 5.590 4.351 -1.972 1.00 0.00 C ATOM 413 O SER A 28 5.447 4.022 -3.133 1.00 0.00 O ATOM 414 CB SER A 28 5.167 3.374 0.305 1.00 0.00 C ATOM 415 OG SER A 28 4.152 3.043 1.244 1.00 0.00 O ATOM 0 H SER A 28 4.010 2.183 -1.854 1.00 0.00 H new ATOM 0 HA SER A 28 4.035 4.967 -0.663 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.711 2.477 0.009 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.891 4.051 0.758 1.00 0.00 H new ATOM 0 HG SER A 28 4.048 2.069 1.283 1.00 0.00 H new ATOM 421 N SER A 29 6.656 4.993 -1.579 1.00 0.00 N ATOM 422 CA SER A 29 7.725 5.335 -2.561 1.00 0.00 C ATOM 423 C SER A 29 8.546 4.090 -2.908 1.00 0.00 C ATOM 424 O SER A 29 9.039 3.947 -4.009 1.00 0.00 O ATOM 425 CB SER A 29 8.595 6.371 -1.851 1.00 0.00 C ATOM 426 OG SER A 29 7.950 7.637 -1.897 1.00 0.00 O ATOM 0 H SER A 29 6.833 5.296 -0.621 1.00 0.00 H new ATOM 0 HA SER A 29 7.319 5.716 -3.498 1.00 0.00 H new ATOM 0 HB2 SER A 29 8.764 6.073 -0.816 1.00 0.00 H new ATOM 0 HB3 SER A 29 9.573 6.431 -2.329 1.00 0.00 H new ATOM 0 HG SER A 29 8.505 8.304 -1.441 1.00 0.00 H new ATOM 432 N SER A 30 8.699 3.189 -1.975 1.00 0.00 N ATOM 433 CA SER A 30 9.491 1.956 -2.252 1.00 0.00 C ATOM 434 C SER A 30 8.657 0.952 -3.054 1.00 0.00 C ATOM 435 O SER A 30 9.138 0.334 -3.982 1.00 0.00 O ATOM 436 CB SER A 30 9.832 1.389 -0.876 1.00 0.00 C ATOM 437 OG SER A 30 11.207 1.030 -0.842 1.00 0.00 O ATOM 0 H SER A 30 8.310 3.253 -1.034 1.00 0.00 H new ATOM 0 HA SER A 30 10.383 2.165 -2.842 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.618 2.127 -0.103 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.212 0.518 -0.665 1.00 0.00 H new ATOM 0 HG SER A 30 11.429 0.667 0.041 1.00 0.00 H new ATOM 443 N GLU A 31 7.411 0.784 -2.702 1.00 0.00 N ATOM 444 CA GLU A 31 6.551 -0.182 -3.446 1.00 0.00 C ATOM 445 C GLU A 31 6.343 0.293 -4.886 1.00 0.00 C ATOM 446 O GLU A 31 6.646 -0.407 -5.831 1.00 0.00 O ATOM 447 CB GLU A 31 5.225 -0.202 -2.688 1.00 0.00 C ATOM 448 CG GLU A 31 5.474 -0.584 -1.227 1.00 0.00 C ATOM 449 CD GLU A 31 4.250 -0.216 -0.385 1.00 0.00 C ATOM 450 OE1 GLU A 31 3.146 -0.375 -0.880 1.00 0.00 O ATOM 451 OE2 GLU A 31 4.438 0.218 0.739 1.00 0.00 O ATOM 0 H GLU A 31 6.952 1.272 -1.933 1.00 0.00 H new ATOM 0 HA GLU A 31 7.000 -1.174 -3.503 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.749 0.777 -2.742 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.542 -0.915 -3.149 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.674 -1.653 -1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.356 -0.066 -0.850 1.00 0.00 H new ATOM 458 N LEU A 32 5.827 1.479 -5.061 1.00 0.00 N ATOM 459 CA LEU A 32 5.602 1.996 -6.442 1.00 0.00 C ATOM 460 C LEU A 32 6.930 2.069 -7.201 1.00 0.00 C ATOM 461 O LEU A 32 7.005 1.762 -8.373 1.00 0.00 O ATOM 462 CB LEU A 32 5.012 3.393 -6.254 1.00 0.00 C ATOM 463 CG LEU A 32 3.576 3.417 -6.780 1.00 0.00 C ATOM 464 CD1 LEU A 32 2.983 4.813 -6.584 1.00 0.00 C ATOM 465 CD2 LEU A 32 3.572 3.066 -8.270 1.00 0.00 C ATOM 0 H LEU A 32 5.552 2.112 -4.310 1.00 0.00 H new ATOM 0 HA LEU A 32 4.940 1.352 -7.021 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.028 3.667 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.617 4.129 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 32 2.978 2.688 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.960 4.830 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.985 5.063 -5.523 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.581 5.542 -7.130 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.549 3.083 -8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.171 3.794 -8.817 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.993 2.071 -8.410 1.00 0.00 H new ATOM 477 N ALA A 33 7.980 2.474 -6.539 1.00 0.00 N ATOM 478 CA ALA A 33 9.301 2.564 -7.222 1.00 0.00 C ATOM 479 C ALA A 33 9.765 1.173 -7.659 1.00 0.00 C ATOM 480 O ALA A 33 10.530 1.026 -8.591 1.00 0.00 O ATOM 481 CB ALA A 33 10.252 3.143 -6.174 1.00 0.00 C ATOM 0 H ALA A 33 7.980 2.746 -5.556 1.00 0.00 H new ATOM 0 HA ALA A 33 9.261 3.182 -8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 33 11.250 3.240 -6.602 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.894 4.124 -5.861 1.00 0.00 H new ATOM 0 HB3 ALA A 33 10.291 2.478 -5.311 1.00 0.00 H new ATOM 487 N THR A 34 9.309 0.149 -6.991 1.00 0.00 N ATOM 488 CA THR A 34 9.724 -1.234 -7.368 1.00 0.00 C ATOM 489 C THR A 34 9.080 -1.637 -8.697 1.00 0.00 C ATOM 490 O THR A 34 9.443 -2.629 -9.298 1.00 0.00 O ATOM 491 CB THR A 34 9.215 -2.123 -6.232 1.00 0.00 C ATOM 492 OG1 THR A 34 9.808 -1.713 -5.008 1.00 0.00 O ATOM 493 CG2 THR A 34 9.583 -3.580 -6.518 1.00 0.00 C ATOM 0 H THR A 34 8.667 0.209 -6.201 1.00 0.00 H new ATOM 0 HA THR A 34 10.802 -1.320 -7.501 1.00 0.00 H new ATOM 0 HB THR A 34 8.131 -2.033 -6.158 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.194 -1.117 -4.530 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.220 -4.213 -5.708 1.00 0.00 H new ATOM 0 HG22 THR A 34 9.125 -3.893 -7.456 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.666 -3.674 -6.594 1.00 0.00 H new ATOM 501 N VAL A 35 8.125 -0.878 -9.160 1.00 0.00 N ATOM 502 CA VAL A 35 7.459 -1.220 -10.450 1.00 0.00 C ATOM 503 C VAL A 35 8.493 -1.288 -11.577 1.00 0.00 C ATOM 504 O VAL A 35 8.478 -2.189 -12.393 1.00 0.00 O ATOM 505 CB VAL A 35 6.467 -0.084 -10.699 1.00 0.00 C ATOM 506 CG1 VAL A 35 5.860 -0.231 -12.095 1.00 0.00 C ATOM 507 CG2 VAL A 35 5.353 -0.143 -9.652 1.00 0.00 C ATOM 0 H VAL A 35 7.777 -0.036 -8.702 1.00 0.00 H new ATOM 0 HA VAL A 35 6.964 -2.191 -10.414 1.00 0.00 H new ATOM 0 HB VAL A 35 6.986 0.872 -10.628 1.00 0.00 H new ATOM 0 HG11 VAL A 35 5.153 0.579 -12.271 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.652 -0.190 -12.842 1.00 0.00 H new ATOM 0 HG13 VAL A 35 5.342 -1.187 -12.167 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.645 0.667 -9.828 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.836 -1.100 -9.724 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.784 -0.038 -8.656 1.00 0.00 H new ATOM 639 N SER A 44 13.704 6.933 -8.946 1.00 0.00 N ATOM 640 CA SER A 44 14.285 8.036 -8.126 1.00 0.00 C ATOM 641 C SER A 44 13.169 8.808 -7.417 1.00 0.00 C ATOM 642 O SER A 44 12.108 9.021 -7.968 1.00 0.00 O ATOM 643 CB SER A 44 15.019 8.942 -9.116 1.00 0.00 C ATOM 644 OG SER A 44 15.400 8.182 -10.255 1.00 0.00 O ATOM 0 HA SER A 44 14.957 7.660 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.376 9.769 -9.415 1.00 0.00 H new ATOM 0 HB3 SER A 44 15.900 9.378 -8.644 1.00 0.00 H new ATOM 0 HG SER A 44 14.670 7.578 -10.504 1.00 0.00 H new ATOM 650 N GLU A 45 13.406 9.215 -6.195 1.00 0.00 N ATOM 651 CA GLU A 45 12.369 9.968 -5.425 1.00 0.00 C ATOM 652 C GLU A 45 11.549 10.869 -6.351 1.00 0.00 C ATOM 653 O GLU A 45 10.335 10.835 -6.341 1.00 0.00 O ATOM 654 CB GLU A 45 13.159 10.810 -4.423 1.00 0.00 C ATOM 655 CG GLU A 45 12.209 11.354 -3.353 1.00 0.00 C ATOM 656 CD GLU A 45 11.851 10.236 -2.372 1.00 0.00 C ATOM 657 OE1 GLU A 45 11.316 9.234 -2.817 1.00 0.00 O ATOM 658 OE2 GLU A 45 12.116 10.402 -1.193 1.00 0.00 O ATOM 0 H GLU A 45 14.280 9.057 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 45 11.660 9.300 -4.937 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.939 10.206 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.656 11.633 -4.936 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.679 12.182 -2.822 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.305 11.746 -3.819 1.00 0.00 H new ATOM 665 N ALA A 46 12.198 11.668 -7.155 1.00 0.00 N ATOM 666 CA ALA A 46 11.442 12.560 -8.080 1.00 0.00 C ATOM 667 C ALA A 46 10.283 11.785 -8.712 1.00 0.00 C ATOM 668 O ALA A 46 9.145 12.210 -8.675 1.00 0.00 O ATOM 669 CB ALA A 46 12.455 12.980 -9.145 1.00 0.00 C ATOM 0 H ALA A 46 13.214 11.741 -7.211 1.00 0.00 H new ATOM 0 HA ALA A 46 11.013 13.423 -7.571 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.973 13.640 -9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.285 13.504 -8.671 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.831 12.095 -9.659 1.00 0.00 H new ATOM 675 N GLU A 47 10.562 10.643 -9.279 1.00 0.00 N ATOM 676 CA GLU A 47 9.476 9.832 -9.898 1.00 0.00 C ATOM 677 C GLU A 47 8.697 9.103 -8.802 1.00 0.00 C ATOM 678 O GLU A 47 7.485 9.165 -8.736 1.00 0.00 O ATOM 679 CB GLU A 47 10.194 8.830 -10.802 1.00 0.00 C ATOM 680 CG GLU A 47 11.088 9.583 -11.790 1.00 0.00 C ATOM 681 CD GLU A 47 10.279 10.688 -12.471 1.00 0.00 C ATOM 682 OE1 GLU A 47 9.181 10.400 -12.921 1.00 0.00 O ATOM 683 OE2 GLU A 47 10.769 11.804 -12.530 1.00 0.00 O ATOM 0 H GLU A 47 11.496 10.237 -9.340 1.00 0.00 H new ATOM 0 HA GLU A 47 8.764 10.439 -10.457 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.793 8.146 -10.201 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.466 8.225 -11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 47 11.943 10.013 -11.268 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.483 8.894 -12.537 1.00 0.00 H new ATOM 690 N VAL A 48 9.392 8.422 -7.932 1.00 0.00 N ATOM 691 CA VAL A 48 8.707 7.694 -6.825 1.00 0.00 C ATOM 692 C VAL A 48 7.693 8.616 -6.151 1.00 0.00 C ATOM 693 O VAL A 48 6.496 8.435 -6.260 1.00 0.00 O ATOM 694 CB VAL A 48 9.827 7.341 -5.846 1.00 0.00 C ATOM 695 CG1 VAL A 48 9.264 6.519 -4.689 1.00 0.00 C ATOM 696 CG2 VAL A 48 10.898 6.531 -6.570 1.00 0.00 C ATOM 0 H VAL A 48 10.409 8.338 -7.940 1.00 0.00 H new ATOM 0 HA VAL A 48 8.167 6.813 -7.172 1.00 0.00 H new ATOM 0 HB VAL A 48 10.264 8.260 -5.455 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.067 6.270 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.501 7.098 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.822 5.601 -5.076 1.00 0.00 H new ATOM 0 HG21 VAL A 48 11.697 6.279 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 48 10.457 5.615 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 48 11.306 7.120 -7.392 1.00 0.00 H new ATOM 706 N ASN A 49 8.175 9.607 -5.458 1.00 0.00 N ATOM 707 CA ASN A 49 7.267 10.561 -4.769 1.00 0.00 C ATOM 708 C ASN A 49 6.221 11.098 -5.756 1.00 0.00 C ATOM 709 O ASN A 49 5.042 11.139 -5.465 1.00 0.00 O ATOM 710 CB ASN A 49 8.211 11.665 -4.278 1.00 0.00 C ATOM 711 CG ASN A 49 7.501 13.024 -4.276 1.00 0.00 C ATOM 712 OD1 ASN A 49 6.915 13.416 -3.286 1.00 0.00 O ATOM 713 ND2 ASN A 49 7.530 13.763 -5.352 1.00 0.00 N ATOM 0 H ASN A 49 9.170 9.798 -5.339 1.00 0.00 H new ATOM 0 HA ASN A 49 6.700 10.116 -3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.561 11.431 -3.273 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.091 11.710 -4.920 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.061 14.669 -5.361 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.022 13.435 -6.183 1.00 0.00 H new ATOM 720 N ASP A 50 6.644 11.512 -6.920 1.00 0.00 N ATOM 721 CA ASP A 50 5.673 12.046 -7.917 1.00 0.00 C ATOM 722 C ASP A 50 4.514 11.064 -8.104 1.00 0.00 C ATOM 723 O ASP A 50 3.370 11.382 -7.849 1.00 0.00 O ATOM 724 CB ASP A 50 6.471 12.186 -9.215 1.00 0.00 C ATOM 725 CG ASP A 50 7.068 13.592 -9.297 1.00 0.00 C ATOM 726 OD1 ASP A 50 6.889 14.347 -8.356 1.00 0.00 O ATOM 727 OD2 ASP A 50 7.693 13.890 -10.303 1.00 0.00 O ATOM 0 H ASP A 50 7.618 11.503 -7.223 1.00 0.00 H new ATOM 0 HA ASP A 50 5.239 12.995 -7.602 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.265 11.440 -9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.825 12.003 -10.073 1.00 0.00 H new ATOM 732 N LEU A 51 4.801 9.870 -8.548 1.00 0.00 N ATOM 733 CA LEU A 51 3.715 8.869 -8.750 1.00 0.00 C ATOM 734 C LEU A 51 2.841 8.775 -7.497 1.00 0.00 C ATOM 735 O LEU A 51 1.640 8.948 -7.552 1.00 0.00 O ATOM 736 CB LEU A 51 4.439 7.545 -9.000 1.00 0.00 C ATOM 737 CG LEU A 51 4.535 7.293 -10.506 1.00 0.00 C ATOM 738 CD1 LEU A 51 5.921 6.741 -10.844 1.00 0.00 C ATOM 739 CD2 LEU A 51 3.468 6.277 -10.921 1.00 0.00 C ATOM 0 H LEU A 51 5.740 9.545 -8.779 1.00 0.00 H new ATOM 0 HA LEU A 51 3.056 9.136 -9.576 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.436 7.575 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.903 6.728 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 51 4.376 8.229 -11.042 1.00 0.00 H new ATOM 0 HD11 LEU A 51 5.989 6.561 -11.917 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.682 7.463 -10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.080 5.805 -10.309 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.535 6.096 -11.994 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.628 5.342 -10.385 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.480 6.668 -10.680 1.00 0.00 H new ATOM 751 N MET A 52 3.434 8.504 -6.366 1.00 0.00 N ATOM 752 CA MET A 52 2.635 8.401 -5.112 1.00 0.00 C ATOM 753 C MET A 52 1.954 9.739 -4.809 1.00 0.00 C ATOM 754 O MET A 52 0.799 9.788 -4.433 1.00 0.00 O ATOM 755 CB MET A 52 3.651 8.057 -4.021 1.00 0.00 C ATOM 756 CG MET A 52 3.003 8.233 -2.646 1.00 0.00 C ATOM 757 SD MET A 52 3.192 9.950 -2.104 1.00 0.00 S ATOM 758 CE MET A 52 4.898 9.815 -1.516 1.00 0.00 C ATOM 0 H MET A 52 4.436 8.350 -6.256 1.00 0.00 H new ATOM 0 HA MET A 52 1.847 7.652 -5.185 1.00 0.00 H new ATOM 0 HB2 MET A 52 3.998 7.031 -4.143 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.526 8.701 -4.108 1.00 0.00 H new ATOM 0 HG2 MET A 52 1.946 7.970 -2.694 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.467 7.560 -1.925 1.00 0.00 H new ATOM 0 HE1 MET A 52 5.139 10.679 -0.897 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.009 8.905 -0.927 1.00 0.00 H new ATOM 0 HE3 MET A 52 5.575 9.780 -2.369 1.00 0.00 H new ATOM 768 N ASN A 53 2.661 10.825 -4.968 1.00 0.00 N ATOM 769 CA ASN A 53 2.054 12.159 -4.690 1.00 0.00 C ATOM 770 C ASN A 53 0.959 12.468 -5.715 1.00 0.00 C ATOM 771 O ASN A 53 -0.042 13.082 -5.403 1.00 0.00 O ATOM 772 CB ASN A 53 3.208 13.152 -4.821 1.00 0.00 C ATOM 773 CG ASN A 53 2.781 14.507 -4.252 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.193 15.313 -4.946 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.055 14.795 -3.009 1.00 0.00 N ATOM 0 H ASN A 53 3.632 10.847 -5.278 1.00 0.00 H new ATOM 0 HA ASN A 53 1.587 12.204 -3.706 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.083 12.781 -4.288 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.493 13.258 -5.868 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.776 15.696 -2.621 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.548 14.119 -2.426 1.00 0.00 H new ATOM 782 N GLU A 54 1.142 12.047 -6.937 1.00 0.00 N ATOM 783 CA GLU A 54 0.112 12.319 -7.981 1.00 0.00 C ATOM 784 C GLU A 54 -1.219 11.667 -7.595 1.00 0.00 C ATOM 785 O GLU A 54 -2.270 12.263 -7.712 1.00 0.00 O ATOM 786 CB GLU A 54 0.668 11.690 -9.259 1.00 0.00 C ATOM 787 CG GLU A 54 0.908 12.782 -10.303 1.00 0.00 C ATOM 788 CD GLU A 54 1.209 12.137 -11.658 1.00 0.00 C ATOM 789 OE1 GLU A 54 0.721 11.044 -11.892 1.00 0.00 O ATOM 790 OE2 GLU A 54 1.923 12.746 -12.436 1.00 0.00 O ATOM 0 H GLU A 54 1.959 11.527 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.082 13.385 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.600 11.167 -9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -0.031 10.949 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.031 13.424 -10.381 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.741 13.416 -9.997 1.00 0.00 H new ATOM 797 N ILE A 55 -1.181 10.446 -7.138 1.00 0.00 N ATOM 798 CA ILE A 55 -2.445 9.757 -6.746 1.00 0.00 C ATOM 799 C ILE A 55 -2.736 9.988 -5.261 1.00 0.00 C ATOM 800 O ILE A 55 -3.743 9.550 -4.741 1.00 0.00 O ATOM 801 CB ILE A 55 -2.189 8.274 -7.017 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.791 8.087 -8.484 1.00 0.00 C ATOM 803 CG2 ILE A 55 -3.461 7.475 -6.729 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.356 6.639 -8.714 1.00 0.00 C ATOM 0 H ILE A 55 -0.331 9.895 -7.019 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.306 10.130 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.385 7.920 -6.372 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.631 8.333 -9.134 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.979 8.767 -8.741 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.278 6.418 -6.922 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.746 7.609 -5.686 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.266 7.828 -7.374 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.073 6.506 -9.758 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.504 6.409 -8.075 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.181 5.969 -8.474 1.00 0.00 H new ATOM 816 N ASP A 56 -1.863 10.674 -4.576 1.00 0.00 N ATOM 817 CA ASP A 56 -2.092 10.933 -3.125 1.00 0.00 C ATOM 818 C ASP A 56 -3.260 11.905 -2.939 1.00 0.00 C ATOM 819 O ASP A 56 -3.069 13.086 -2.731 1.00 0.00 O ATOM 820 CB ASP A 56 -0.789 11.556 -2.622 1.00 0.00 C ATOM 821 CG ASP A 56 -0.387 10.899 -1.300 1.00 0.00 C ATOM 822 OD1 ASP A 56 -1.132 10.056 -0.830 1.00 0.00 O ATOM 823 OD2 ASP A 56 0.660 11.250 -0.782 1.00 0.00 O ATOM 0 H ASP A 56 -1.002 11.066 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.346 10.025 -2.579 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.000 11.422 -3.362 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.917 12.630 -2.483 1.00 0.00 H new ATOM 828 N VAL A 57 -4.467 11.416 -3.010 1.00 0.00 N ATOM 829 CA VAL A 57 -5.646 12.313 -2.837 1.00 0.00 C ATOM 830 C VAL A 57 -5.560 13.045 -1.495 1.00 0.00 C ATOM 831 O VAL A 57 -5.985 14.177 -1.366 1.00 0.00 O ATOM 832 CB VAL A 57 -6.858 11.382 -2.864 1.00 0.00 C ATOM 833 CG1 VAL A 57 -7.016 10.793 -4.266 1.00 0.00 C ATOM 834 CG2 VAL A 57 -6.655 10.248 -1.856 1.00 0.00 C ATOM 0 H VAL A 57 -4.689 10.435 -3.180 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.702 13.077 -3.612 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.754 11.945 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.880 10.129 -4.286 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.161 11.599 -4.985 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.120 10.230 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.520 9.585 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -5.759 9.685 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.541 10.666 -0.856 1.00 0.00 H new ATOM 844 N ASP A 58 -5.015 12.410 -0.495 1.00 0.00 N ATOM 845 CA ASP A 58 -4.903 13.073 0.838 1.00 0.00 C ATOM 846 C ASP A 58 -3.475 13.579 1.060 1.00 0.00 C ATOM 847 O ASP A 58 -3.244 14.504 1.813 1.00 0.00 O ATOM 848 CB ASP A 58 -5.250 11.983 1.853 1.00 0.00 C ATOM 849 CG ASP A 58 -4.130 10.942 1.889 1.00 0.00 C ATOM 850 OD1 ASP A 58 -3.456 10.792 0.883 1.00 0.00 O ATOM 851 OD2 ASP A 58 -3.966 10.312 2.920 1.00 0.00 O ATOM 0 H ASP A 58 -4.642 11.462 -0.541 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.562 13.937 0.926 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.385 12.422 2.842 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.193 11.508 1.584 1.00 0.00 H new ATOM 856 N GLY A 59 -2.514 12.981 0.408 1.00 0.00 N ATOM 857 CA GLY A 59 -1.103 13.430 0.583 1.00 0.00 C ATOM 858 C GLY A 59 -0.522 12.809 1.855 1.00 0.00 C ATOM 859 O GLY A 59 -0.201 13.500 2.802 1.00 0.00 O ATOM 0 H GLY A 59 -2.645 12.202 -0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.507 13.137 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.062 14.517 0.645 1.00 0.00 H new ATOM 863 N ASN A 60 -0.382 11.513 1.884 1.00 0.00 N ATOM 864 CA ASN A 60 0.181 10.851 3.096 1.00 0.00 C ATOM 865 C ASN A 60 1.402 10.006 2.720 1.00 0.00 C ATOM 866 O ASN A 60 1.635 8.952 3.277 1.00 0.00 O ATOM 867 CB ASN A 60 -0.947 9.964 3.626 1.00 0.00 C ATOM 868 CG ASN A 60 -1.444 9.045 2.509 1.00 0.00 C ATOM 869 OD1 ASN A 60 -1.597 9.469 1.381 1.00 0.00 O ATOM 870 ND2 ASN A 60 -1.704 7.795 2.776 1.00 0.00 N ATOM 0 H ASN A 60 -0.633 10.883 1.122 1.00 0.00 H new ATOM 0 HA ASN A 60 0.514 11.572 3.842 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.591 9.370 4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.766 10.581 3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.036 7.174 2.038 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.576 7.438 3.723 1.00 0.00 H new ATOM 877 N HIS A 61 2.183 10.462 1.778 1.00 0.00 N ATOM 878 CA HIS A 61 3.391 9.690 1.366 1.00 0.00 C ATOM 879 C HIS A 61 2.985 8.332 0.786 1.00 0.00 C ATOM 880 O HIS A 61 3.809 7.460 0.588 1.00 0.00 O ATOM 881 CB HIS A 61 4.203 9.506 2.649 1.00 0.00 C ATOM 882 CG HIS A 61 4.279 10.815 3.387 1.00 0.00 C ATOM 883 ND1 HIS A 61 3.925 12.018 2.796 1.00 0.00 N ATOM 884 CD2 HIS A 61 4.663 11.126 4.668 1.00 0.00 C ATOM 885 CE1 HIS A 61 4.102 12.987 3.712 1.00 0.00 C ATOM 886 NE2 HIS A 61 4.551 12.498 4.871 1.00 0.00 N ATOM 0 H HIS A 61 2.036 11.337 1.275 1.00 0.00 H new ATOM 0 HA HIS A 61 3.962 10.204 0.593 1.00 0.00 H new ATOM 0 HB2 HIS A 61 3.740 8.747 3.280 1.00 0.00 H new ATOM 0 HB3 HIS A 61 5.206 9.153 2.410 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.001 10.414 5.406 1.00 0.00 H new ATOM 0 HE1 HIS A 61 3.905 14.034 3.532 1.00 0.00 H new ATOM 0 HE2 HIS A 61 4.766 13.018 5.722 1.00 0.00 H new ATOM 894 N GLN A 62 1.724 8.145 0.509 1.00 0.00 N ATOM 895 CA GLN A 62 1.270 6.843 -0.061 1.00 0.00 C ATOM 896 C GLN A 62 -0.183 6.944 -0.525 1.00 0.00 C ATOM 897 O GLN A 62 -0.909 7.837 -0.138 1.00 0.00 O ATOM 898 CB GLN A 62 1.395 5.831 1.080 1.00 0.00 C ATOM 899 CG GLN A 62 0.920 6.463 2.391 1.00 0.00 C ATOM 900 CD GLN A 62 0.011 5.480 3.132 1.00 0.00 C ATOM 901 OE1 GLN A 62 -0.449 4.511 2.560 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.269 5.691 4.389 1.00 0.00 N ATOM 0 H GLN A 62 0.988 8.836 0.652 1.00 0.00 H new ATOM 0 HA GLN A 62 1.864 6.551 -0.927 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.802 4.944 0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.431 5.506 1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 62 1.777 6.722 3.013 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.382 7.389 2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.118 6.504 4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.874 5.043 4.892 1.00 0.00 H new ATOM 911 N ILE A 63 -0.610 6.035 -1.356 1.00 0.00 N ATOM 912 CA ILE A 63 -2.013 6.077 -1.849 1.00 0.00 C ATOM 913 C ILE A 63 -2.657 4.691 -1.746 1.00 0.00 C ATOM 914 O ILE A 63 -1.985 3.679 -1.770 1.00 0.00 O ATOM 915 CB ILE A 63 -1.899 6.505 -3.309 1.00 0.00 C ATOM 916 CG1 ILE A 63 -1.360 5.342 -4.144 1.00 0.00 C ATOM 917 CG2 ILE A 63 -0.948 7.698 -3.423 1.00 0.00 C ATOM 918 CD1 ILE A 63 -2.528 4.469 -4.608 1.00 0.00 C ATOM 0 H ILE A 63 -0.047 5.264 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.635 6.757 -1.267 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.884 6.791 -3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.810 5.722 -5.005 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.660 4.750 -3.555 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.869 8.001 -4.467 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -1.334 8.529 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.037 7.415 -3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -2.148 3.639 -5.203 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.058 4.079 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.211 5.066 -5.212 1.00 0.00 H new ATOM 930 N GLU A 64 -3.956 4.639 -1.642 1.00 0.00 N ATOM 931 CA GLU A 64 -4.645 3.322 -1.551 1.00 0.00 C ATOM 932 C GLU A 64 -5.154 2.913 -2.935 1.00 0.00 C ATOM 933 O GLU A 64 -4.819 3.523 -3.930 1.00 0.00 O ATOM 934 CB GLU A 64 -5.814 3.549 -0.592 1.00 0.00 C ATOM 935 CG GLU A 64 -5.276 3.931 0.788 1.00 0.00 C ATOM 936 CD GLU A 64 -6.446 4.211 1.733 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.341 4.940 1.337 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.428 3.692 2.837 1.00 0.00 O ATOM 0 H GLU A 64 -4.570 5.453 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.987 2.527 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.462 4.338 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.420 2.646 -0.520 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.659 3.125 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.639 4.812 0.710 1.00 0.00 H new ATOM 945 N PHE A 65 -5.957 1.888 -3.012 1.00 0.00 N ATOM 946 CA PHE A 65 -6.472 1.461 -4.343 1.00 0.00 C ATOM 947 C PHE A 65 -7.374 2.547 -4.936 1.00 0.00 C ATOM 948 O PHE A 65 -7.012 3.212 -5.884 1.00 0.00 O ATOM 949 CB PHE A 65 -7.275 0.190 -4.086 1.00 0.00 C ATOM 950 CG PHE A 65 -8.035 -0.154 -5.340 1.00 0.00 C ATOM 951 CD1 PHE A 65 -7.335 -0.458 -6.514 1.00 0.00 C ATOM 952 CD2 PHE A 65 -9.433 -0.151 -5.338 1.00 0.00 C ATOM 953 CE1 PHE A 65 -8.034 -0.762 -7.685 1.00 0.00 C ATOM 954 CE2 PHE A 65 -10.133 -0.454 -6.510 1.00 0.00 C ATOM 955 CZ PHE A 65 -9.433 -0.760 -7.682 1.00 0.00 C ATOM 0 H PHE A 65 -6.277 1.332 -2.219 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.662 1.290 -5.053 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.611 -0.629 -3.809 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.963 0.338 -3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.255 -0.457 -6.514 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.972 0.085 -4.432 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.495 -0.998 -8.591 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.213 -0.452 -6.510 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.974 -0.995 -8.587 1.00 0.00 H new ATOM 965 N SER A 66 -8.549 2.716 -4.385 1.00 0.00 N ATOM 966 CA SER A 66 -9.495 3.751 -4.904 1.00 0.00 C ATOM 967 C SER A 66 -8.734 4.986 -5.398 1.00 0.00 C ATOM 968 O SER A 66 -9.078 5.573 -6.406 1.00 0.00 O ATOM 969 CB SER A 66 -10.377 4.112 -3.710 1.00 0.00 C ATOM 970 OG SER A 66 -10.817 5.458 -3.841 1.00 0.00 O ATOM 0 H SER A 66 -8.896 2.177 -3.592 1.00 0.00 H new ATOM 0 HA SER A 66 -10.075 3.383 -5.751 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.234 3.440 -3.660 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.820 3.988 -2.781 1.00 0.00 H new ATOM 0 HG SER A 66 -11.385 5.692 -3.077 1.00 0.00 H new ATOM 976 N GLU A 67 -7.694 5.378 -4.711 1.00 0.00 N ATOM 977 CA GLU A 67 -6.914 6.564 -5.166 1.00 0.00 C ATOM 978 C GLU A 67 -6.240 6.239 -6.499 1.00 0.00 C ATOM 979 O GLU A 67 -6.271 7.018 -7.432 1.00 0.00 O ATOM 980 CB GLU A 67 -5.871 6.800 -4.072 1.00 0.00 C ATOM 981 CG GLU A 67 -6.571 6.907 -2.717 1.00 0.00 C ATOM 982 CD GLU A 67 -5.611 7.517 -1.693 1.00 0.00 C ATOM 983 OE1 GLU A 67 -4.772 8.305 -2.095 1.00 0.00 O ATOM 984 OE2 GLU A 67 -5.732 7.185 -0.526 1.00 0.00 O ATOM 0 H GLU A 67 -7.353 4.931 -3.860 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.534 7.447 -5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.151 5.982 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.312 7.713 -4.278 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.465 7.524 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.896 5.921 -2.385 1.00 0.00 H new ATOM 991 N PHE A 68 -5.648 5.080 -6.597 1.00 0.00 N ATOM 992 CA PHE A 68 -4.989 4.680 -7.870 1.00 0.00 C ATOM 993 C PHE A 68 -6.011 4.741 -9.008 1.00 0.00 C ATOM 994 O PHE A 68 -5.675 4.992 -10.148 1.00 0.00 O ATOM 995 CB PHE A 68 -4.515 3.243 -7.619 1.00 0.00 C ATOM 996 CG PHE A 68 -4.387 2.493 -8.925 1.00 0.00 C ATOM 997 CD1 PHE A 68 -3.653 3.042 -9.982 1.00 0.00 C ATOM 998 CD2 PHE A 68 -5.001 1.243 -9.074 1.00 0.00 C ATOM 999 CE1 PHE A 68 -3.534 2.342 -11.189 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -4.880 0.544 -10.280 1.00 0.00 C ATOM 1001 CZ PHE A 68 -4.147 1.093 -11.337 1.00 0.00 C ATOM 0 H PHE A 68 -5.593 4.391 -5.847 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.161 5.329 -8.155 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -3.554 3.255 -7.104 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.220 2.730 -6.966 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.178 4.005 -9.867 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.568 0.819 -8.258 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.969 2.766 -12.006 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.353 -0.420 -10.395 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.054 0.553 -12.268 1.00 0.00 H new ATOM 1011 N LEU A 69 -7.261 4.519 -8.700 1.00 0.00 N ATOM 1012 CA LEU A 69 -8.313 4.571 -9.754 1.00 0.00 C ATOM 1013 C LEU A 69 -8.621 6.028 -10.108 1.00 0.00 C ATOM 1014 O LEU A 69 -8.806 6.374 -11.258 1.00 0.00 O ATOM 1015 CB LEU A 69 -9.538 3.904 -9.125 1.00 0.00 C ATOM 1016 CG LEU A 69 -9.515 2.405 -9.426 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -9.800 2.177 -10.910 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -8.139 1.836 -9.078 1.00 0.00 C ATOM 0 H LEU A 69 -7.599 4.304 -7.762 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.006 4.072 -10.674 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.542 4.069 -8.048 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.451 4.351 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.277 1.904 -8.829 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.783 1.108 -11.124 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.781 2.582 -11.158 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.039 2.678 -11.508 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.122 0.767 -9.292 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.377 2.338 -9.674 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.936 1.997 -8.019 1.00 0.00 H new ATOM 1030 N ALA A 70 -8.675 6.884 -9.124 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.969 8.319 -9.396 1.00 0.00 C ATOM 1032 C ALA A 70 -7.985 8.872 -10.430 1.00 0.00 C ATOM 1033 O ALA A 70 -8.371 9.504 -11.393 1.00 0.00 O ATOM 1034 CB ALA A 70 -8.785 9.021 -8.050 1.00 0.00 C ATOM 0 H ALA A 70 -8.528 6.651 -8.142 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.970 8.468 -9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.984 10.086 -8.165 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.478 8.599 -7.322 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -7.762 8.879 -7.702 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.714 8.637 -10.239 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.708 9.149 -11.213 1.00 0.00 C ATOM 1042 C LEU A 71 -5.603 8.202 -12.411 1.00 0.00 C ATOM 1043 O LEU A 71 -5.394 8.623 -13.531 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.389 9.184 -10.439 1.00 0.00 C ATOM 1045 CG LEU A 71 -3.477 10.258 -11.036 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -2.304 10.515 -10.089 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -2.944 9.779 -12.387 1.00 0.00 C ATOM 0 H LEU A 71 -6.330 8.114 -9.452 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.975 10.130 -11.606 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.578 9.396 -9.387 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.901 8.210 -10.486 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.042 11.180 -11.173 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -1.654 11.280 -10.514 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -2.682 10.855 -9.125 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.738 9.593 -9.952 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.294 10.543 -12.813 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.378 8.857 -12.249 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.779 9.594 -13.063 1.00 0.00 H new ATOM 1059 N MET A 72 -5.749 6.925 -12.185 1.00 0.00 N ATOM 1060 CA MET A 72 -5.658 5.952 -13.312 1.00 0.00 C ATOM 1061 C MET A 72 -6.734 6.254 -14.358 1.00 0.00 C ATOM 1062 O MET A 72 -6.477 6.887 -15.362 1.00 0.00 O ATOM 1063 CB MET A 72 -5.900 4.584 -12.675 1.00 0.00 C ATOM 1064 CG MET A 72 -6.153 3.547 -13.770 1.00 0.00 C ATOM 1065 SD MET A 72 -4.834 3.640 -15.006 1.00 0.00 S ATOM 1066 CE MET A 72 -3.933 2.158 -14.489 1.00 0.00 C ATOM 0 H MET A 72 -5.927 6.513 -11.269 1.00 0.00 H new ATOM 0 HA MET A 72 -4.696 5.999 -13.822 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.037 4.292 -12.076 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.755 4.632 -12.000 1.00 0.00 H new ATOM 0 HG2 MET A 72 -6.190 2.547 -13.337 1.00 0.00 H new ATOM 0 HG3 MET A 72 -7.120 3.727 -14.240 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.978 2.447 -14.050 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.522 1.613 -13.751 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.756 1.519 -15.354 1.00 0.00 H new