USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 710 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 22 THR OG1 : rot -27:sc= 0.317 USER MOD Single : A 25 HIS : no HD1:sc= -0.015 X(o=-0.015,f=-0.00061) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.0258 USER MOD Single : A 29 SER OG : rot 95:sc= 0.0202 USER MOD Single : A 30 GLN : amide:sc= -0.189 K(o=-0.19,f=-1.2) USER MOD Single : A 35 THR OG1 : rot 180:sc= -1.34 USER MOD Single : A 36 ASN : amide:sc= -0.191 X(o=-0.19,f=-0.026) USER MOD Single : A 38 ASN : amide:sc= -0.265 K(o=-0.26,f=-4.2!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.47 K(o=-2.5,f=-6.1!) USER MOD Single : A 68 SER OG : rot 149:sc= -1.07 USER MOD Single : A 71 ASN : amide:sc= -0.0747 K(o=-0.075,f=-0.81) USER MOD Single : A 72 SER OG : rot 180:sc= -0.194 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= -0.936 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.452 USER MOD Single : A 82 GLN : amide:sc= -0.124 K(o=-0.12,f=-2.5!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.614 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.639 K(o=-0.64,f=-2.7) USER MOD Single : A 100 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.4!) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot 56:sc= 0.648 USER MOD Single : A 111 GLN : amide:sc=-0.00436 K(o=-0.0044,f=-0.57) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 GLN : amide:sc= -0.214 K(o=-0.21,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 22 5.848 7.531 -4.513 1.00 40.44 N ATOM 2 CA THR A 22 6.031 6.297 -5.266 1.00 31.43 C ATOM 3 C THR A 22 4.821 5.380 -5.121 1.00 4.31 C ATOM 4 O THR A 22 4.883 4.326 -4.487 1.00 50.44 O ATOM 5 CB THR A 22 7.292 5.540 -4.806 1.00 54.30 C ATOM 6 OG1 THR A 22 7.395 5.583 -3.378 1.00 44.15 O ATOM 7 CG2 THR A 22 8.542 6.143 -5.429 1.00 13.33 C ATOM 0 HA THR A 22 6.147 6.579 -6.312 1.00 31.43 H new ATOM 0 HB THR A 22 7.207 4.503 -5.132 1.00 54.30 H new ATOM 0 HG1 THR A 22 6.952 6.390 -3.042 1.00 44.15 H new ATOM 0 HG21 THR A 22 9.419 5.592 -5.090 1.00 13.33 H new ATOM 0 HG22 THR A 22 8.473 6.082 -6.515 1.00 13.33 H new ATOM 0 HG23 THR A 22 8.631 7.187 -5.129 1.00 13.33 H new ATOM 15 N PRO A 23 3.694 5.788 -5.722 1.00 13.22 N ATOM 16 CA PRO A 23 2.448 5.017 -5.675 1.00 20.22 C ATOM 17 C PRO A 23 2.532 3.730 -6.488 1.00 61.23 C ATOM 18 O PRO A 23 2.614 3.748 -7.717 1.00 21.34 O ATOM 19 CB PRO A 23 1.418 5.969 -6.286 1.00 54.51 C ATOM 20 CG PRO A 23 2.212 6.873 -7.165 1.00 13.45 C ATOM 21 CD PRO A 23 3.548 7.034 -6.494 1.00 20.41 C ATOM 0 HA PRO A 23 2.205 4.698 -4.662 1.00 20.22 H new ATOM 0 HB2 PRO A 23 0.665 5.425 -6.855 1.00 54.51 H new ATOM 0 HB3 PRO A 23 0.891 6.530 -5.514 1.00 54.51 H new ATOM 0 HG2 PRO A 23 2.325 6.448 -8.162 1.00 13.45 H new ATOM 0 HG3 PRO A 23 1.716 7.836 -7.284 1.00 13.45 H new ATOM 0 HD2 PRO A 23 4.351 7.153 -7.221 1.00 20.41 H new ATOM 0 HD3 PRO A 23 3.570 7.912 -5.848 1.00 20.41 H new ATOM 29 N PRO A 24 2.511 2.585 -5.790 1.00 31.11 N ATOM 30 CA PRO A 24 2.583 1.267 -6.428 1.00 13.01 C ATOM 31 C PRO A 24 1.316 0.930 -7.206 1.00 74.03 C ATOM 32 O PRO A 24 0.264 0.674 -6.619 1.00 52.31 O ATOM 33 CB PRO A 24 2.755 0.310 -5.246 1.00 32.31 C ATOM 34 CG PRO A 24 2.153 1.027 -4.087 1.00 25.11 C ATOM 35 CD PRO A 24 2.415 2.489 -4.324 1.00 34.33 C ATOM 0 HA PRO A 24 3.389 1.212 -7.160 1.00 13.01 H new ATOM 0 HB2 PRO A 24 2.252 -0.639 -5.429 1.00 32.31 H new ATOM 0 HB3 PRO A 24 3.807 0.084 -5.069 1.00 32.31 H new ATOM 0 HG2 PRO A 24 1.084 0.828 -4.018 1.00 25.11 H new ATOM 0 HG3 PRO A 24 2.600 0.697 -3.149 1.00 25.11 H new ATOM 0 HD2 PRO A 24 1.609 3.110 -3.933 1.00 34.33 H new ATOM 0 HD3 PRO A 24 3.335 2.816 -3.839 1.00 34.33 H new ATOM 43 N HIS A 25 1.423 0.931 -8.531 1.00 74.23 N ATOM 44 CA HIS A 25 0.285 0.624 -9.390 1.00 74.24 C ATOM 45 C HIS A 25 0.543 -0.642 -10.203 1.00 11.34 C ATOM 46 O HIS A 25 1.663 -0.887 -10.651 1.00 63.11 O ATOM 47 CB HIS A 25 -0.004 1.796 -10.329 1.00 30.03 C ATOM 48 CG HIS A 25 1.034 1.982 -11.392 1.00 23.21 C ATOM 49 ND1 HIS A 25 0.835 1.626 -12.709 1.00 52.01 N ATOM 50 CD2 HIS A 25 2.287 2.491 -11.327 1.00 13.31 C ATOM 51 CE1 HIS A 25 1.920 1.907 -13.408 1.00 21.00 C ATOM 52 NE2 HIS A 25 2.816 2.433 -12.593 1.00 0.53 N ATOM 0 H HIS A 25 2.286 1.141 -9.033 1.00 74.23 H new ATOM 0 HA HIS A 25 -0.583 0.456 -8.753 1.00 74.24 H new ATOM 0 HB2 HIS A 25 -0.973 1.641 -10.803 1.00 30.03 H new ATOM 0 HB3 HIS A 25 -0.079 2.711 -9.742 1.00 30.03 H new ATOM 0 HD2 HIS A 25 2.779 2.872 -10.444 1.00 13.31 H new ATOM 0 HE1 HIS A 25 2.052 1.736 -14.466 1.00 21.00 H new ATOM 0 HE2 HIS A 25 3.749 2.745 -12.860 1.00 0.53 H new ATOM 60 N THR A 26 -0.501 -1.444 -10.388 1.00 52.30 N ATOM 61 CA THR A 26 -0.387 -2.684 -11.144 1.00 71.40 C ATOM 62 C THR A 26 -0.878 -2.503 -12.576 1.00 33.13 C ATOM 63 O THR A 26 -0.212 -2.912 -13.526 1.00 34.41 O ATOM 64 CB THR A 26 -1.185 -3.822 -10.480 1.00 30.42 C ATOM 65 OG1 THR A 26 -2.390 -3.305 -9.904 1.00 42.15 O ATOM 66 CG2 THR A 26 -0.357 -4.508 -9.404 1.00 4.44 C ATOM 0 H THR A 26 -1.435 -1.256 -10.024 1.00 52.30 H new ATOM 0 HA THR A 26 0.670 -2.950 -11.156 1.00 71.40 H new ATOM 0 HB THR A 26 -1.435 -4.555 -11.247 1.00 30.42 H new ATOM 0 HG1 THR A 26 -2.892 -4.035 -9.486 1.00 42.15 H new ATOM 0 HG21 THR A 26 -0.942 -5.308 -8.950 1.00 4.44 H new ATOM 0 HG22 THR A 26 0.545 -4.927 -9.851 1.00 4.44 H new ATOM 0 HG23 THR A 26 -0.080 -3.782 -8.640 1.00 4.44 H new ATOM 74 N GLU A 27 -2.047 -1.887 -12.722 1.00 1.51 N ATOM 75 CA GLU A 27 -2.626 -1.652 -14.039 1.00 53.43 C ATOM 76 C GLU A 27 -3.255 -0.263 -14.117 1.00 73.54 C ATOM 77 O GLU A 27 -3.611 0.342 -13.106 1.00 44.53 O ATOM 78 CB GLU A 27 -3.677 -2.718 -14.356 1.00 63.15 C ATOM 79 CG GLU A 27 -4.570 -3.062 -13.177 1.00 32.34 C ATOM 80 CD GLU A 27 -5.940 -3.550 -13.605 1.00 74.13 C ATOM 81 OE1 GLU A 27 -6.740 -2.721 -14.089 1.00 62.54 O ATOM 82 OE2 GLU A 27 -6.214 -4.759 -13.457 1.00 24.44 O ATOM 0 H GLU A 27 -2.611 -1.542 -11.945 1.00 1.51 H new ATOM 0 HA GLU A 27 -1.825 -1.711 -14.776 1.00 53.43 H new ATOM 0 HB2 GLU A 27 -4.298 -2.370 -15.182 1.00 63.15 H new ATOM 0 HB3 GLU A 27 -3.173 -3.623 -14.696 1.00 63.15 H new ATOM 0 HG2 GLU A 27 -4.087 -3.830 -12.573 1.00 32.34 H new ATOM 0 HG3 GLU A 27 -4.683 -2.182 -12.543 1.00 32.34 H new ATOM 89 N PRO A 28 -3.396 0.253 -15.347 1.00 51.50 N ATOM 90 CA PRO A 28 -3.982 1.575 -15.588 1.00 10.53 C ATOM 91 C PRO A 28 -5.478 1.608 -15.296 1.00 54.02 C ATOM 92 O PRO A 28 -6.035 0.655 -14.751 1.00 11.34 O ATOM 93 CB PRO A 28 -3.722 1.813 -17.077 1.00 71.24 C ATOM 94 CG PRO A 28 -3.611 0.448 -17.665 1.00 0.33 C ATOM 95 CD PRO A 28 -2.995 -0.413 -16.597 1.00 65.02 C ATOM 0 HA PRO A 28 -3.549 2.337 -14.939 1.00 10.53 H new ATOM 0 HB2 PRO A 28 -4.534 2.377 -17.536 1.00 71.24 H new ATOM 0 HB3 PRO A 28 -2.808 2.387 -17.233 1.00 71.24 H new ATOM 0 HG2 PRO A 28 -4.590 0.068 -17.957 1.00 0.33 H new ATOM 0 HG3 PRO A 28 -2.993 0.459 -18.563 1.00 0.33 H new ATOM 0 HD2 PRO A 28 -3.366 -1.437 -16.643 1.00 65.02 H new ATOM 0 HD3 PRO A 28 -1.911 -0.462 -16.696 1.00 65.02 H new ATOM 103 N SER A 29 -6.124 2.710 -15.664 1.00 35.01 N ATOM 104 CA SER A 29 -7.557 2.868 -15.439 1.00 25.44 C ATOM 105 C SER A 29 -8.048 4.205 -15.983 1.00 51.25 C ATOM 106 O SER A 29 -7.588 5.266 -15.561 1.00 71.42 O ATOM 107 CB SER A 29 -7.874 2.765 -13.945 1.00 63.35 C ATOM 108 OG SER A 29 -8.378 3.991 -13.445 1.00 41.05 O ATOM 0 H SER A 29 -5.678 3.507 -16.119 1.00 35.01 H new ATOM 0 HA SER A 29 -8.074 2.068 -15.969 1.00 25.44 H new ATOM 0 HB2 SER A 29 -8.604 1.973 -13.779 1.00 63.35 H new ATOM 0 HB3 SER A 29 -6.973 2.488 -13.397 1.00 63.35 H new ATOM 0 HG SER A 29 -9.358 3.969 -13.452 1.00 41.05 H new ATOM 114 N GLN A 30 -8.986 4.145 -16.924 1.00 4.33 N ATOM 115 CA GLN A 30 -9.539 5.352 -17.527 1.00 75.53 C ATOM 116 C GLN A 30 -10.903 5.682 -16.930 1.00 53.30 C ATOM 117 O GLN A 30 -11.728 6.340 -17.565 1.00 4.31 O ATOM 118 CB GLN A 30 -9.661 5.179 -19.042 1.00 53.34 C ATOM 119 CG GLN A 30 -8.431 4.559 -19.685 1.00 50.41 C ATOM 120 CD GLN A 30 -8.439 4.679 -21.196 1.00 42.53 C ATOM 121 OE1 GLN A 30 -9.373 5.228 -21.782 1.00 62.22 O ATOM 122 NE2 GLN A 30 -7.395 4.166 -21.837 1.00 1.14 N ATOM 0 H GLN A 30 -9.378 3.275 -17.284 1.00 4.33 H new ATOM 0 HA GLN A 30 -8.860 6.178 -17.316 1.00 75.53 H new ATOM 0 HB2 GLN A 30 -10.528 4.555 -19.259 1.00 53.34 H new ATOM 0 HB3 GLN A 30 -9.847 6.152 -19.497 1.00 53.34 H new ATOM 0 HG2 GLN A 30 -7.537 5.042 -19.291 1.00 50.41 H new ATOM 0 HG3 GLN A 30 -8.373 3.506 -19.408 1.00 50.41 H new ATOM 0 HE21 GLN A 30 -6.643 3.720 -21.312 1.00 1.14 H new ATOM 0 HE22 GLN A 30 -7.345 4.218 -22.854 1.00 1.14 H new ATOM 131 N VAL A 31 -11.135 5.221 -15.705 1.00 1.20 N ATOM 132 CA VAL A 31 -12.399 5.469 -15.021 1.00 64.43 C ATOM 133 C VAL A 31 -12.189 5.626 -13.519 1.00 73.04 C ATOM 134 O VAL A 31 -11.301 5.004 -12.937 1.00 4.31 O ATOM 135 CB VAL A 31 -13.405 4.330 -15.272 1.00 23.53 C ATOM 136 CG1 VAL A 31 -13.635 4.139 -16.763 1.00 71.31 C ATOM 137 CG2 VAL A 31 -12.918 3.039 -14.630 1.00 14.14 C ATOM 0 H VAL A 31 -10.464 4.674 -15.166 1.00 1.20 H new ATOM 0 HA VAL A 31 -12.803 6.396 -15.427 1.00 64.43 H new ATOM 0 HB VAL A 31 -14.356 4.601 -14.814 1.00 23.53 H new ATOM 0 HG11 VAL A 31 -14.348 3.330 -16.920 1.00 71.31 H new ATOM 0 HG12 VAL A 31 -14.030 5.060 -17.191 1.00 71.31 H new ATOM 0 HG13 VAL A 31 -12.691 3.890 -17.248 1.00 71.31 H new ATOM 0 HG21 VAL A 31 -13.641 2.245 -14.817 1.00 14.14 H new ATOM 0 HG22 VAL A 31 -11.954 2.761 -15.057 1.00 14.14 H new ATOM 0 HG23 VAL A 31 -12.810 3.185 -13.555 1.00 14.14 H new ATOM 147 N VAL A 32 -13.015 6.462 -12.897 1.00 25.43 N ATOM 148 CA VAL A 32 -12.921 6.700 -11.461 1.00 55.24 C ATOM 149 C VAL A 32 -14.278 6.529 -10.787 1.00 1.12 C ATOM 150 O VAL A 32 -15.304 6.962 -11.313 1.00 32.22 O ATOM 151 CB VAL A 32 -12.385 8.112 -11.161 1.00 13.43 C ATOM 152 CG1 VAL A 32 -11.104 8.374 -11.938 1.00 21.14 C ATOM 153 CG2 VAL A 32 -13.438 9.162 -11.484 1.00 71.42 C ATOM 0 H VAL A 32 -13.756 6.985 -13.364 1.00 25.43 H new ATOM 0 HA VAL A 32 -12.224 5.963 -11.062 1.00 55.24 H new ATOM 0 HB VAL A 32 -12.156 8.175 -10.097 1.00 13.43 H new ATOM 0 HG11 VAL A 32 -10.741 9.377 -11.713 1.00 21.14 H new ATOM 0 HG12 VAL A 32 -10.349 7.642 -11.652 1.00 21.14 H new ATOM 0 HG13 VAL A 32 -11.303 8.292 -13.006 1.00 21.14 H new ATOM 0 HG21 VAL A 32 -13.042 10.154 -11.266 1.00 71.42 H new ATOM 0 HG22 VAL A 32 -13.701 9.101 -12.540 1.00 71.42 H new ATOM 0 HG23 VAL A 32 -14.326 8.985 -10.878 1.00 71.42 H new ATOM 163 N LEU A 33 -14.276 5.896 -9.619 1.00 2.11 N ATOM 164 CA LEU A 33 -15.507 5.668 -8.870 1.00 61.22 C ATOM 165 C LEU A 33 -15.604 6.616 -7.679 1.00 65.50 C ATOM 166 O LEU A 33 -14.668 6.729 -6.886 1.00 72.12 O ATOM 167 CB LEU A 33 -15.573 4.217 -8.389 1.00 42.21 C ATOM 168 CG LEU A 33 -16.421 3.961 -7.143 1.00 0.42 C ATOM 169 CD1 LEU A 33 -17.841 4.465 -7.351 1.00 22.03 C ATOM 170 CD2 LEU A 33 -16.424 2.480 -6.795 1.00 32.03 C ATOM 0 H LEU A 33 -13.436 5.531 -9.170 1.00 2.11 H new ATOM 0 HA LEU A 33 -16.349 5.863 -9.534 1.00 61.22 H new ATOM 0 HB2 LEU A 33 -15.962 3.603 -9.201 1.00 42.21 H new ATOM 0 HB3 LEU A 33 -14.558 3.875 -8.190 1.00 42.21 H new ATOM 0 HG LEU A 33 -15.982 4.508 -6.309 1.00 0.42 H new ATOM 0 HD11 LEU A 33 -18.430 4.274 -6.454 1.00 22.03 H new ATOM 0 HD12 LEU A 33 -17.821 5.536 -7.551 1.00 22.03 H new ATOM 0 HD13 LEU A 33 -18.291 3.946 -8.197 1.00 22.03 H new ATOM 0 HD21 LEU A 33 -17.032 2.316 -5.906 1.00 32.03 H new ATOM 0 HD22 LEU A 33 -16.838 1.911 -7.628 1.00 32.03 H new ATOM 0 HD23 LEU A 33 -15.403 2.149 -6.602 1.00 32.03 H new ATOM 182 N ILE A 34 -16.741 7.292 -7.559 1.00 2.04 N ATOM 183 CA ILE A 34 -16.960 8.227 -6.462 1.00 54.12 C ATOM 184 C ILE A 34 -18.159 7.810 -5.616 1.00 43.52 C ATOM 185 O ILE A 34 -19.105 7.202 -6.116 1.00 71.44 O ATOM 186 CB ILE A 34 -17.185 9.660 -6.981 1.00 35.34 C ATOM 187 CG1 ILE A 34 -18.418 9.710 -7.886 1.00 10.12 C ATOM 188 CG2 ILE A 34 -15.954 10.153 -7.725 1.00 50.05 C ATOM 189 CD1 ILE A 34 -18.084 9.732 -9.361 1.00 1.30 C ATOM 0 H ILE A 34 -17.524 7.210 -8.207 1.00 2.04 H new ATOM 0 HA ILE A 34 -16.060 8.209 -5.847 1.00 54.12 H new ATOM 0 HB ILE A 34 -17.357 10.317 -6.128 1.00 35.34 H new ATOM 0 HG12 ILE A 34 -19.047 8.845 -7.677 1.00 10.12 H new ATOM 0 HG13 ILE A 34 -19.003 10.596 -7.641 1.00 10.12 H new ATOM 0 HG21 ILE A 34 -16.128 11.167 -8.086 1.00 50.05 H new ATOM 0 HG22 ILE A 34 -15.097 10.150 -7.052 1.00 50.05 H new ATOM 0 HG23 ILE A 34 -15.753 9.496 -8.572 1.00 50.05 H new ATOM 0 HD11 ILE A 34 -19.005 9.767 -9.942 1.00 1.30 H new ATOM 0 HD12 ILE A 34 -17.480 10.612 -9.584 1.00 1.30 H new ATOM 0 HD13 ILE A 34 -17.525 8.833 -9.621 1.00 1.30 H new ATOM 201 N THR A 35 -18.113 8.144 -4.330 1.00 50.31 N ATOM 202 CA THR A 35 -19.195 7.806 -3.414 1.00 24.13 C ATOM 203 C THR A 35 -19.406 8.908 -2.382 1.00 21.22 C ATOM 204 O THR A 35 -18.772 9.960 -2.445 1.00 52.34 O ATOM 205 CB THR A 35 -18.917 6.479 -2.682 1.00 4.31 C ATOM 206 OG1 THR A 35 -17.877 6.662 -1.714 1.00 51.21 O ATOM 207 CG2 THR A 35 -18.514 5.392 -3.667 1.00 1.13 C ATOM 0 H THR A 35 -17.338 8.648 -3.900 1.00 50.31 H new ATOM 0 HA THR A 35 -20.097 7.698 -4.016 1.00 24.13 H new ATOM 0 HB THR A 35 -19.832 6.169 -2.177 1.00 4.31 H new ATOM 0 HG1 THR A 35 -17.707 5.815 -1.252 1.00 51.21 H new ATOM 0 HG21 THR A 35 -18.323 4.465 -3.127 1.00 1.13 H new ATOM 0 HG22 THR A 35 -19.319 5.235 -4.385 1.00 1.13 H new ATOM 0 HG23 THR A 35 -17.611 5.697 -4.196 1.00 1.13 H new ATOM 215 N ASN A 36 -20.300 8.658 -1.431 1.00 14.10 N ATOM 216 CA ASN A 36 -20.595 9.630 -0.384 1.00 40.24 C ATOM 217 C ASN A 36 -21.205 10.897 -0.975 1.00 54.42 C ATOM 218 O ASN A 36 -21.128 11.972 -0.379 1.00 43.00 O ATOM 219 CB ASN A 36 -19.322 9.977 0.391 1.00 54.20 C ATOM 220 CG ASN A 36 -19.417 9.600 1.857 1.00 74.23 C ATOM 221 OD1 ASN A 36 -18.519 8.961 2.404 1.00 62.40 O ATOM 222 ND2 ASN A 36 -20.510 9.995 2.499 1.00 33.45 N ATOM 0 H ASN A 36 -20.833 7.791 -1.364 1.00 14.10 H new ATOM 0 HA ASN A 36 -21.318 9.184 0.299 1.00 40.24 H new ATOM 0 HB2 ASN A 36 -18.474 9.462 -0.060 1.00 54.20 H new ATOM 0 HB3 ASN A 36 -19.128 11.046 0.305 1.00 54.20 H new ATOM 0 HD21 ASN A 36 -20.631 9.770 3.487 1.00 33.45 H new ATOM 0 HD22 ASN A 36 -21.229 10.523 2.005 1.00 33.45 H new ATOM 229 N ILE A 37 -21.813 10.763 -2.149 1.00 45.25 N ATOM 230 CA ILE A 37 -22.438 11.897 -2.820 1.00 23.43 C ATOM 231 C ILE A 37 -23.876 12.087 -2.351 1.00 53.12 C ATOM 232 O ILE A 37 -24.634 11.125 -2.235 1.00 12.23 O ATOM 233 CB ILE A 37 -22.427 11.722 -4.350 1.00 22.22 C ATOM 234 CG1 ILE A 37 -23.001 10.357 -4.733 1.00 75.41 C ATOM 235 CG2 ILE A 37 -21.013 11.878 -4.891 1.00 14.43 C ATOM 236 CD1 ILE A 37 -23.256 10.203 -6.216 1.00 61.13 C ATOM 0 H ILE A 37 -21.886 9.881 -2.655 1.00 45.25 H new ATOM 0 HA ILE A 37 -21.854 12.780 -2.560 1.00 23.43 H new ATOM 0 HB ILE A 37 -23.053 12.496 -4.794 1.00 22.22 H new ATOM 0 HG12 ILE A 37 -22.311 9.578 -4.408 1.00 75.41 H new ATOM 0 HG13 ILE A 37 -23.935 10.201 -4.194 1.00 75.41 H new ATOM 0 HG21 ILE A 37 -21.022 11.752 -5.974 1.00 14.43 H new ATOM 0 HG22 ILE A 37 -20.637 12.871 -4.645 1.00 14.43 H new ATOM 0 HG23 ILE A 37 -20.367 11.123 -4.443 1.00 14.43 H new ATOM 0 HD11 ILE A 37 -23.662 9.211 -6.414 1.00 61.13 H new ATOM 0 HD12 ILE A 37 -23.969 10.960 -6.543 1.00 61.13 H new ATOM 0 HD13 ILE A 37 -22.320 10.327 -6.761 1.00 61.13 H new ATOM 248 N ASN A 38 -24.246 13.336 -2.086 1.00 21.13 N ATOM 249 CA ASN A 38 -25.595 13.653 -1.631 1.00 43.41 C ATOM 250 C ASN A 38 -26.617 13.387 -2.732 1.00 43.42 C ATOM 251 O ASN A 38 -26.636 14.052 -3.769 1.00 34.52 O ATOM 252 CB ASN A 38 -25.675 15.116 -1.188 1.00 21.31 C ATOM 253 CG ASN A 38 -26.494 15.293 0.076 1.00 20.41 C ATOM 254 OD1 ASN A 38 -27.338 14.458 0.404 1.00 3.32 O ATOM 255 ND2 ASN A 38 -26.248 16.383 0.792 1.00 12.54 N ATOM 0 H ASN A 38 -23.631 14.144 -2.178 1.00 21.13 H new ATOM 0 HA ASN A 38 -25.826 13.010 -0.782 1.00 43.41 H new ATOM 0 HB2 ASN A 38 -24.668 15.498 -1.022 1.00 21.31 H new ATOM 0 HB3 ASN A 38 -26.114 15.712 -1.988 1.00 21.31 H new ATOM 0 HD21 ASN A 38 -26.768 16.556 1.653 1.00 12.54 H new ATOM 0 HD22 ASN A 38 -25.539 17.048 0.482 1.00 12.54 H new ATOM 262 N PRO A 39 -27.487 12.393 -2.504 1.00 31.21 N ATOM 263 CA PRO A 39 -28.529 12.017 -3.464 1.00 61.41 C ATOM 264 C PRO A 39 -29.620 13.076 -3.581 1.00 25.11 C ATOM 265 O PRO A 39 -30.464 13.014 -4.474 1.00 22.22 O ATOM 266 CB PRO A 39 -29.101 10.723 -2.879 1.00 25.15 C ATOM 267 CG PRO A 39 -28.820 10.812 -1.418 1.00 73.11 C ATOM 268 CD PRO A 39 -27.522 11.559 -1.290 1.00 43.34 C ATOM 0 HA PRO A 39 -28.132 11.906 -4.473 1.00 61.41 H new ATOM 0 HB2 PRO A 39 -30.171 10.640 -3.072 1.00 25.15 H new ATOM 0 HB3 PRO A 39 -28.628 9.846 -3.321 1.00 25.15 H new ATOM 0 HG2 PRO A 39 -29.623 11.334 -0.897 1.00 73.11 H new ATOM 0 HG3 PRO A 39 -28.744 9.819 -0.974 1.00 73.11 H new ATOM 0 HD2 PRO A 39 -27.495 12.166 -0.385 1.00 43.34 H new ATOM 0 HD3 PRO A 39 -26.670 10.880 -1.244 1.00 43.34 H new ATOM 276 N GLU A 40 -29.595 14.047 -2.673 1.00 44.15 N ATOM 277 CA GLU A 40 -30.582 15.120 -2.676 1.00 75.41 C ATOM 278 C GLU A 40 -30.672 15.773 -4.052 1.00 12.40 C ATOM 279 O GLU A 40 -31.715 16.307 -4.431 1.00 44.33 O ATOM 280 CB GLU A 40 -30.229 16.171 -1.622 1.00 34.12 C ATOM 281 CG GLU A 40 -30.891 15.929 -0.276 1.00 12.04 C ATOM 282 CD GLU A 40 -30.596 17.029 0.726 1.00 63.23 C ATOM 283 OE1 GLU A 40 -30.377 18.180 0.294 1.00 51.21 O ATOM 284 OE2 GLU A 40 -30.583 16.739 1.940 1.00 23.40 O ATOM 0 H GLU A 40 -28.903 14.112 -1.927 1.00 44.15 H new ATOM 0 HA GLU A 40 -31.553 14.687 -2.435 1.00 75.41 H new ATOM 0 HB2 GLU A 40 -29.147 16.189 -1.487 1.00 34.12 H new ATOM 0 HB3 GLU A 40 -30.521 17.155 -1.990 1.00 34.12 H new ATOM 0 HG2 GLU A 40 -31.969 15.849 -0.415 1.00 12.04 H new ATOM 0 HG3 GLU A 40 -30.550 14.975 0.126 1.00 12.04 H new ATOM 291 N VAL A 41 -29.571 15.728 -4.795 1.00 71.33 N ATOM 292 CA VAL A 41 -29.524 16.315 -6.129 1.00 73.52 C ATOM 293 C VAL A 41 -29.669 15.245 -7.206 1.00 21.44 C ATOM 294 O VAL A 41 -29.038 14.189 -7.155 1.00 31.50 O ATOM 295 CB VAL A 41 -28.209 17.083 -6.358 1.00 54.33 C ATOM 296 CG1 VAL A 41 -27.012 16.184 -6.095 1.00 23.54 C ATOM 297 CG2 VAL A 41 -28.162 17.648 -7.770 1.00 61.21 C ATOM 0 H VAL A 41 -28.699 15.291 -4.496 1.00 71.33 H new ATOM 0 HA VAL A 41 -30.360 17.011 -6.198 1.00 73.52 H new ATOM 0 HB VAL A 41 -28.168 17.916 -5.656 1.00 54.33 H new ATOM 0 HG11 VAL A 41 -26.092 16.745 -6.262 1.00 23.54 H new ATOM 0 HG12 VAL A 41 -27.041 15.833 -5.064 1.00 23.54 H new ATOM 0 HG13 VAL A 41 -27.044 15.329 -6.770 1.00 23.54 H new ATOM 0 HG21 VAL A 41 -27.226 18.188 -7.915 1.00 61.21 H new ATOM 0 HG22 VAL A 41 -28.226 16.833 -8.490 1.00 61.21 H new ATOM 0 HG23 VAL A 41 -29.000 18.329 -7.917 1.00 61.21 H new ATOM 307 N PRO A 42 -30.519 15.522 -8.205 1.00 53.11 N ATOM 308 CA PRO A 42 -30.766 14.596 -9.314 1.00 53.13 C ATOM 309 C PRO A 42 -29.563 14.469 -10.242 1.00 50.13 C ATOM 310 O PRO A 42 -28.801 15.419 -10.422 1.00 11.40 O ATOM 311 CB PRO A 42 -31.946 15.234 -10.052 1.00 70.55 C ATOM 312 CG PRO A 42 -31.858 16.684 -9.726 1.00 12.35 C ATOM 313 CD PRO A 42 -31.305 16.761 -8.330 1.00 3.45 C ATOM 0 HA PRO A 42 -30.962 13.583 -8.963 1.00 53.13 H new ATOM 0 HB2 PRO A 42 -31.879 15.065 -11.127 1.00 70.55 H new ATOM 0 HB3 PRO A 42 -32.895 14.811 -9.722 1.00 70.55 H new ATOM 0 HG2 PRO A 42 -31.210 17.204 -10.432 1.00 12.35 H new ATOM 0 HG3 PRO A 42 -32.838 17.157 -9.784 1.00 12.35 H new ATOM 0 HD2 PRO A 42 -30.684 17.646 -8.192 1.00 3.45 H new ATOM 0 HD3 PRO A 42 -32.099 16.810 -7.585 1.00 3.45 H new ATOM 321 N LYS A 43 -29.397 13.289 -10.831 1.00 15.43 N ATOM 322 CA LYS A 43 -28.288 13.038 -11.742 1.00 63.54 C ATOM 323 C LYS A 43 -28.148 14.170 -12.755 1.00 71.52 C ATOM 324 O LYS A 43 -27.039 14.526 -13.152 1.00 20.52 O ATOM 325 CB LYS A 43 -28.492 11.708 -12.472 1.00 51.14 C ATOM 326 CG LYS A 43 -27.475 11.455 -13.572 1.00 0.33 C ATOM 327 CD LYS A 43 -27.768 10.164 -14.316 1.00 71.43 C ATOM 328 CE LYS A 43 -26.766 9.926 -15.436 1.00 34.11 C ATOM 329 NZ LYS A 43 -27.157 8.773 -16.294 1.00 25.13 N ATOM 0 H LYS A 43 -30.018 12.491 -10.693 1.00 15.43 H new ATOM 0 HA LYS A 43 -27.372 12.986 -11.154 1.00 63.54 H new ATOM 0 HB2 LYS A 43 -28.442 10.895 -11.748 1.00 51.14 H new ATOM 0 HB3 LYS A 43 -29.493 11.690 -12.903 1.00 51.14 H new ATOM 0 HG2 LYS A 43 -27.481 12.289 -14.273 1.00 0.33 H new ATOM 0 HG3 LYS A 43 -26.475 11.408 -13.141 1.00 0.33 H new ATOM 0 HD2 LYS A 43 -27.741 9.327 -13.619 1.00 71.43 H new ATOM 0 HD3 LYS A 43 -28.776 10.202 -14.730 1.00 71.43 H new ATOM 0 HE2 LYS A 43 -26.686 10.824 -16.049 1.00 34.11 H new ATOM 0 HE3 LYS A 43 -25.780 9.743 -15.009 1.00 34.11 H new ATOM 0 HZ1 LYS A 43 -26.449 8.643 -17.045 1.00 25.13 H new ATOM 0 HZ2 LYS A 43 -27.209 7.911 -15.715 1.00 25.13 H new ATOM 0 HZ3 LYS A 43 -28.086 8.958 -16.722 1.00 25.13 H new ATOM 343 N GLU A 44 -29.280 14.731 -13.168 1.00 40.31 N ATOM 344 CA GLU A 44 -29.282 15.824 -14.134 1.00 61.52 C ATOM 345 C GLU A 44 -28.383 16.965 -13.667 1.00 64.52 C ATOM 346 O GLU A 44 -27.521 17.436 -14.410 1.00 72.30 O ATOM 347 CB GLU A 44 -30.706 16.339 -14.352 1.00 71.54 C ATOM 348 CG GLU A 44 -30.864 17.179 -15.608 1.00 63.14 C ATOM 349 CD GLU A 44 -32.202 17.890 -15.670 1.00 64.05 C ATOM 350 OE1 GLU A 44 -33.197 17.247 -16.066 1.00 45.14 O ATOM 351 OE2 GLU A 44 -32.254 19.088 -15.324 1.00 1.32 O ATOM 0 H GLU A 44 -30.207 14.447 -12.849 1.00 40.31 H new ATOM 0 HA GLU A 44 -28.893 15.441 -15.078 1.00 61.52 H new ATOM 0 HB2 GLU A 44 -31.386 15.489 -14.406 1.00 71.54 H new ATOM 0 HB3 GLU A 44 -31.005 16.933 -13.488 1.00 71.54 H new ATOM 0 HG2 GLU A 44 -30.063 17.917 -15.650 1.00 63.14 H new ATOM 0 HG3 GLU A 44 -30.756 16.540 -16.484 1.00 63.14 H new ATOM 358 N LYS A 45 -28.590 17.405 -12.431 1.00 23.02 N ATOM 359 CA LYS A 45 -27.799 18.490 -11.862 1.00 40.01 C ATOM 360 C LYS A 45 -26.462 17.973 -11.340 1.00 40.44 C ATOM 361 O LYS A 45 -25.411 18.553 -11.616 1.00 4.24 O ATOM 362 CB LYS A 45 -28.571 19.172 -10.730 1.00 41.34 C ATOM 363 CG LYS A 45 -29.347 20.399 -11.177 1.00 4.42 C ATOM 364 CD LYS A 45 -30.792 20.059 -11.497 1.00 54.14 C ATOM 365 CE LYS A 45 -31.698 20.289 -10.297 1.00 73.53 C ATOM 366 NZ LYS A 45 -32.474 21.553 -10.422 1.00 11.52 N ATOM 0 H LYS A 45 -29.299 17.027 -11.803 1.00 23.02 H new ATOM 0 HA LYS A 45 -27.605 19.217 -12.651 1.00 40.01 H new ATOM 0 HB2 LYS A 45 -29.264 18.455 -10.290 1.00 41.34 H new ATOM 0 HB3 LYS A 45 -27.871 19.461 -9.946 1.00 41.34 H new ATOM 0 HG2 LYS A 45 -29.315 21.156 -10.393 1.00 4.42 H new ATOM 0 HG3 LYS A 45 -28.871 20.831 -12.057 1.00 4.42 H new ATOM 0 HD2 LYS A 45 -31.133 20.668 -12.334 1.00 54.14 H new ATOM 0 HD3 LYS A 45 -30.861 19.018 -11.812 1.00 54.14 H new ATOM 0 HE2 LYS A 45 -32.386 19.449 -10.195 1.00 73.53 H new ATOM 0 HE3 LYS A 45 -31.096 20.321 -9.389 1.00 73.53 H new ATOM 0 HZ1 LYS A 45 -33.079 21.673 -9.585 1.00 11.52 H new ATOM 0 HZ2 LYS A 45 -31.818 22.357 -10.494 1.00 11.52 H new ATOM 0 HZ3 LYS A 45 -33.068 21.513 -11.275 1.00 11.52 H new ATOM 380 N LEU A 46 -26.509 16.880 -10.588 1.00 23.23 N ATOM 381 CA LEU A 46 -25.300 16.284 -10.029 1.00 33.44 C ATOM 382 C LEU A 46 -24.254 16.053 -11.114 1.00 51.45 C ATOM 383 O LEU A 46 -23.145 16.582 -11.042 1.00 61.31 O ATOM 384 CB LEU A 46 -25.634 14.961 -9.337 1.00 24.41 C ATOM 385 CG LEU A 46 -24.474 13.977 -9.174 1.00 41.44 C ATOM 386 CD1 LEU A 46 -24.472 13.381 -7.776 1.00 21.25 C ATOM 387 CD2 LEU A 46 -24.555 12.879 -10.225 1.00 22.05 C ATOM 0 H LEU A 46 -27.370 16.388 -10.351 1.00 23.23 H new ATOM 0 HA LEU A 46 -24.888 16.978 -9.296 1.00 33.44 H new ATOM 0 HB2 LEU A 46 -26.038 15.183 -8.349 1.00 24.41 H new ATOM 0 HB3 LEU A 46 -26.426 14.468 -9.902 1.00 24.41 H new ATOM 0 HG LEU A 46 -23.539 14.520 -9.316 1.00 41.44 H new ATOM 0 HD11 LEU A 46 -23.640 12.684 -7.679 1.00 21.25 H new ATOM 0 HD12 LEU A 46 -24.365 14.178 -7.041 1.00 21.25 H new ATOM 0 HD13 LEU A 46 -25.410 12.853 -7.604 1.00 21.25 H new ATOM 0 HD21 LEU A 46 -23.722 12.188 -10.094 1.00 22.05 H new ATOM 0 HD22 LEU A 46 -25.495 12.339 -10.115 1.00 22.05 H new ATOM 0 HD23 LEU A 46 -24.506 13.323 -11.219 1.00 22.05 H new ATOM 399 N GLN A 47 -24.616 15.264 -12.120 1.00 74.42 N ATOM 400 CA GLN A 47 -23.709 14.965 -13.222 1.00 1.42 C ATOM 401 C GLN A 47 -23.112 16.246 -13.798 1.00 34.55 C ATOM 402 O GLN A 47 -21.907 16.330 -14.030 1.00 50.14 O ATOM 403 CB GLN A 47 -24.442 14.192 -14.319 1.00 61.31 C ATOM 404 CG GLN A 47 -23.511 13.488 -15.293 1.00 22.32 C ATOM 405 CD GLN A 47 -24.024 13.520 -16.719 1.00 15.42 C ATOM 406 OE1 GLN A 47 -24.074 14.577 -17.349 1.00 12.21 O ATOM 407 NE2 GLN A 47 -24.410 12.360 -17.236 1.00 71.21 N ATOM 0 H GLN A 47 -25.531 14.820 -12.195 1.00 74.42 H new ATOM 0 HA GLN A 47 -22.897 14.349 -12.834 1.00 1.42 H new ATOM 0 HB2 GLN A 47 -25.096 13.453 -13.856 1.00 61.31 H new ATOM 0 HB3 GLN A 47 -25.080 14.881 -14.873 1.00 61.31 H new ATOM 0 HG2 GLN A 47 -22.528 13.958 -15.254 1.00 22.32 H new ATOM 0 HG3 GLN A 47 -23.381 12.452 -14.981 1.00 22.32 H new ATOM 0 HE21 GLN A 47 -24.351 11.508 -16.678 1.00 71.21 H new ATOM 0 HE22 GLN A 47 -24.765 12.320 -18.191 1.00 71.21 H new ATOM 416 N ALA A 48 -23.965 17.239 -14.025 1.00 42.41 N ATOM 417 CA ALA A 48 -23.522 18.516 -14.572 1.00 64.31 C ATOM 418 C ALA A 48 -22.353 19.080 -13.771 1.00 62.15 C ATOM 419 O ALA A 48 -21.411 19.637 -14.337 1.00 11.40 O ATOM 420 CB ALA A 48 -24.675 19.508 -14.597 1.00 44.21 C ATOM 0 H ALA A 48 -24.966 17.184 -13.839 1.00 42.41 H new ATOM 0 HA ALA A 48 -23.181 18.347 -15.593 1.00 64.31 H new ATOM 0 HB1 ALA A 48 -24.330 20.457 -15.008 1.00 44.21 H new ATOM 0 HB2 ALA A 48 -25.480 19.115 -15.218 1.00 44.21 H new ATOM 0 HB3 ALA A 48 -25.043 19.664 -13.583 1.00 44.21 H new ATOM 426 N LEU A 49 -22.419 18.933 -12.453 1.00 33.31 N ATOM 427 CA LEU A 49 -21.366 19.428 -11.574 1.00 11.53 C ATOM 428 C LEU A 49 -20.116 18.561 -11.678 1.00 60.33 C ATOM 429 O LEU A 49 -19.000 19.071 -11.788 1.00 53.13 O ATOM 430 CB LEU A 49 -21.857 19.462 -10.125 1.00 55.35 C ATOM 431 CG LEU A 49 -21.914 20.842 -9.468 1.00 31.30 C ATOM 432 CD1 LEU A 49 -20.577 21.553 -9.604 1.00 41.21 C ATOM 433 CD2 LEU A 49 -23.030 21.678 -10.078 1.00 23.21 C ATOM 0 H LEU A 49 -23.191 18.475 -11.969 1.00 33.31 H new ATOM 0 HA LEU A 49 -21.111 20.440 -11.889 1.00 11.53 H new ATOM 0 HB2 LEU A 49 -22.854 19.023 -10.090 1.00 55.35 H new ATOM 0 HB3 LEU A 49 -21.207 18.823 -9.527 1.00 55.35 H new ATOM 0 HG LEU A 49 -22.126 20.710 -8.407 1.00 31.30 H new ATOM 0 HD11 LEU A 49 -20.636 22.533 -9.131 1.00 41.21 H new ATOM 0 HD12 LEU A 49 -19.800 20.962 -9.119 1.00 41.21 H new ATOM 0 HD13 LEU A 49 -20.335 21.674 -10.660 1.00 41.21 H new ATOM 0 HD21 LEU A 49 -23.056 22.656 -9.598 1.00 23.21 H new ATOM 0 HD22 LEU A 49 -22.850 21.802 -11.146 1.00 23.21 H new ATOM 0 HD23 LEU A 49 -23.985 21.175 -9.927 1.00 23.21 H new ATOM 445 N LEU A 50 -20.310 17.247 -11.646 1.00 22.04 N ATOM 446 CA LEU A 50 -19.198 16.307 -11.739 1.00 51.01 C ATOM 447 C LEU A 50 -18.365 16.572 -12.989 1.00 5.13 C ATOM 448 O LEU A 50 -17.144 16.413 -12.978 1.00 44.21 O ATOM 449 CB LEU A 50 -19.720 14.869 -11.756 1.00 11.31 C ATOM 450 CG LEU A 50 -20.627 14.471 -10.591 1.00 23.31 C ATOM 451 CD1 LEU A 50 -20.764 12.958 -10.515 1.00 55.01 C ATOM 452 CD2 LEU A 50 -20.086 15.025 -9.281 1.00 14.22 C ATOM 0 H LEU A 50 -21.227 16.808 -11.556 1.00 22.04 H new ATOM 0 HA LEU A 50 -18.562 16.446 -10.864 1.00 51.01 H new ATOM 0 HB2 LEU A 50 -20.267 14.713 -12.686 1.00 11.31 H new ATOM 0 HB3 LEU A 50 -18.865 14.193 -11.772 1.00 11.31 H new ATOM 0 HG LEU A 50 -21.615 14.897 -10.762 1.00 23.31 H new ATOM 0 HD11 LEU A 50 -21.413 12.693 -9.680 1.00 55.01 H new ATOM 0 HD12 LEU A 50 -21.196 12.585 -11.443 1.00 55.01 H new ATOM 0 HD13 LEU A 50 -19.781 12.511 -10.367 1.00 55.01 H new ATOM 0 HD21 LEU A 50 -20.744 14.732 -8.463 1.00 14.22 H new ATOM 0 HD22 LEU A 50 -19.087 14.628 -9.103 1.00 14.22 H new ATOM 0 HD23 LEU A 50 -20.039 16.113 -9.338 1.00 14.22 H new ATOM 464 N TYR A 51 -19.032 16.979 -14.063 1.00 64.30 N ATOM 465 CA TYR A 51 -18.352 17.266 -15.321 1.00 15.01 C ATOM 466 C TYR A 51 -17.569 18.572 -15.231 1.00 52.12 C ATOM 467 O TYR A 51 -16.423 18.653 -15.673 1.00 14.33 O ATOM 468 CB TYR A 51 -19.365 17.343 -16.465 1.00 63.01 C ATOM 469 CG TYR A 51 -18.728 17.499 -17.827 1.00 42.45 C ATOM 470 CD1 TYR A 51 -18.439 18.758 -18.341 1.00 71.41 C ATOM 471 CD2 TYR A 51 -18.414 16.388 -18.601 1.00 3.43 C ATOM 472 CE1 TYR A 51 -17.858 18.905 -19.586 1.00 30.04 C ATOM 473 CE2 TYR A 51 -17.831 16.526 -19.846 1.00 10.23 C ATOM 474 CZ TYR A 51 -17.556 17.786 -20.334 1.00 3.40 C ATOM 475 OH TYR A 51 -16.975 17.929 -21.574 1.00 14.04 O ATOM 0 H TYR A 51 -20.042 17.118 -14.088 1.00 64.30 H new ATOM 0 HA TYR A 51 -17.650 16.456 -15.519 1.00 15.01 H new ATOM 0 HB2 TYR A 51 -19.976 16.440 -16.460 1.00 63.01 H new ATOM 0 HB3 TYR A 51 -20.037 18.183 -16.289 1.00 63.01 H new ATOM 0 HD1 TYR A 51 -18.673 19.636 -17.757 1.00 71.41 H new ATOM 0 HD2 TYR A 51 -18.629 15.400 -18.223 1.00 3.43 H new ATOM 0 HE1 TYR A 51 -17.642 19.890 -19.971 1.00 30.04 H new ATOM 0 HE2 TYR A 51 -17.592 15.652 -20.434 1.00 10.23 H new ATOM 0 HH TYR A 51 -16.826 17.045 -21.969 1.00 14.04 H new ATOM 485 N ALA A 52 -18.197 19.592 -14.655 1.00 43.43 N ATOM 486 CA ALA A 52 -17.559 20.894 -14.504 1.00 51.43 C ATOM 487 C ALA A 52 -16.190 20.762 -13.846 1.00 10.21 C ATOM 488 O ALA A 52 -15.192 21.273 -14.357 1.00 31.34 O ATOM 489 CB ALA A 52 -18.448 21.827 -13.695 1.00 73.21 C ATOM 0 H ALA A 52 -19.146 19.542 -14.286 1.00 43.43 H new ATOM 0 HA ALA A 52 -17.416 21.318 -15.498 1.00 51.43 H new ATOM 0 HB1 ALA A 52 -17.959 22.795 -13.590 1.00 73.21 H new ATOM 0 HB2 ALA A 52 -19.402 21.956 -14.207 1.00 73.21 H new ATOM 0 HB3 ALA A 52 -18.621 21.399 -12.708 1.00 73.21 H new ATOM 495 N LEU A 53 -16.149 20.075 -12.710 1.00 12.24 N ATOM 496 CA LEU A 53 -14.902 19.876 -11.980 1.00 44.32 C ATOM 497 C LEU A 53 -13.971 18.936 -12.739 1.00 42.25 C ATOM 498 O LEU A 53 -12.759 19.147 -12.782 1.00 11.03 O ATOM 499 CB LEU A 53 -15.187 19.314 -10.586 1.00 42.15 C ATOM 500 CG LEU A 53 -16.322 19.985 -9.812 1.00 23.44 C ATOM 501 CD1 LEU A 53 -16.714 19.144 -8.606 1.00 54.52 C ATOM 502 CD2 LEU A 53 -15.916 21.386 -9.378 1.00 74.11 C ATOM 0 H LEU A 53 -16.965 19.646 -12.274 1.00 12.24 H new ATOM 0 HA LEU A 53 -14.410 20.844 -11.881 1.00 44.32 H new ATOM 0 HB2 LEU A 53 -15.418 18.253 -10.684 1.00 42.15 H new ATOM 0 HB3 LEU A 53 -14.276 19.388 -9.993 1.00 42.15 H new ATOM 0 HG LEU A 53 -17.187 20.067 -10.470 1.00 23.44 H new ATOM 0 HD11 LEU A 53 -17.523 19.636 -8.067 1.00 54.52 H new ATOM 0 HD12 LEU A 53 -17.046 18.161 -8.940 1.00 54.52 H new ATOM 0 HD13 LEU A 53 -15.854 19.031 -7.946 1.00 54.52 H new ATOM 0 HD21 LEU A 53 -16.736 21.849 -8.829 1.00 74.11 H new ATOM 0 HD22 LEU A 53 -15.037 21.328 -8.737 1.00 74.11 H new ATOM 0 HD23 LEU A 53 -15.684 21.987 -10.258 1.00 74.11 H new ATOM 514 N ALA A 54 -14.546 17.899 -13.340 1.00 12.53 N ATOM 515 CA ALA A 54 -13.769 16.930 -14.101 1.00 61.32 C ATOM 516 C ALA A 54 -12.989 17.609 -15.221 1.00 43.43 C ATOM 517 O ALA A 54 -11.772 17.454 -15.326 1.00 72.45 O ATOM 518 CB ALA A 54 -14.680 15.852 -14.669 1.00 74.20 C ATOM 0 H ALA A 54 -15.548 17.709 -13.314 1.00 12.53 H new ATOM 0 HA ALA A 54 -13.052 16.465 -13.424 1.00 61.32 H new ATOM 0 HB1 ALA A 54 -14.086 15.135 -15.235 1.00 74.20 H new ATOM 0 HB2 ALA A 54 -15.188 15.338 -13.853 1.00 74.20 H new ATOM 0 HB3 ALA A 54 -15.419 16.310 -15.326 1.00 74.20 H new ATOM 524 N SER A 55 -13.697 18.363 -16.056 1.00 43.15 N ATOM 525 CA SER A 55 -13.071 19.063 -17.172 1.00 44.10 C ATOM 526 C SER A 55 -11.943 19.967 -16.682 1.00 54.12 C ATOM 527 O SER A 55 -10.942 20.159 -17.372 1.00 72.32 O ATOM 528 CB SER A 55 -14.110 19.891 -17.930 1.00 72.44 C ATOM 529 OG SER A 55 -13.807 19.947 -19.313 1.00 44.54 O ATOM 0 H SER A 55 -14.704 18.505 -15.981 1.00 43.15 H new ATOM 0 HA SER A 55 -12.649 18.317 -17.846 1.00 44.10 H new ATOM 0 HB2 SER A 55 -15.100 19.456 -17.789 1.00 72.44 H new ATOM 0 HB3 SER A 55 -14.144 20.901 -17.521 1.00 72.44 H new ATOM 0 HG SER A 55 -14.487 20.480 -19.775 1.00 44.54 H new ATOM 535 N SER A 56 -12.115 20.520 -15.486 1.00 4.41 N ATOM 536 CA SER A 56 -11.114 21.408 -14.904 1.00 33.31 C ATOM 537 C SER A 56 -9.757 20.716 -14.821 1.00 41.14 C ATOM 538 O SER A 56 -8.715 21.371 -14.804 1.00 54.30 O ATOM 539 CB SER A 56 -11.554 21.862 -13.511 1.00 24.35 C ATOM 540 OG SER A 56 -11.397 23.262 -13.358 1.00 34.24 O ATOM 0 H SER A 56 -12.937 20.369 -14.901 1.00 4.41 H new ATOM 0 HA SER A 56 -11.018 22.281 -15.550 1.00 33.31 H new ATOM 0 HB2 SER A 56 -12.597 21.590 -13.349 1.00 24.35 H new ATOM 0 HB3 SER A 56 -10.968 21.342 -12.753 1.00 24.35 H new ATOM 0 HG SER A 56 -11.687 23.527 -12.460 1.00 34.24 H new ATOM 546 N GLN A 57 -9.779 19.388 -14.771 1.00 4.12 N ATOM 547 CA GLN A 57 -8.550 18.607 -14.689 1.00 41.23 C ATOM 548 C GLN A 57 -8.280 17.878 -16.001 1.00 54.04 C ATOM 549 O GLN A 57 -7.366 18.233 -16.744 1.00 52.11 O ATOM 550 CB GLN A 57 -8.636 17.600 -13.541 1.00 1.31 C ATOM 551 CG GLN A 57 -8.610 18.244 -12.164 1.00 44.11 C ATOM 552 CD GLN A 57 -7.208 18.352 -11.597 1.00 22.00 C ATOM 553 OE1 GLN A 57 -6.446 17.384 -11.605 1.00 52.52 O ATOM 554 NE2 GLN A 57 -6.859 19.533 -11.100 1.00 52.12 N ATOM 0 H GLN A 57 -10.633 18.831 -14.786 1.00 4.12 H new ATOM 0 HA GLN A 57 -7.725 19.294 -14.499 1.00 41.23 H new ATOM 0 HB2 GLN A 57 -9.553 17.021 -13.645 1.00 1.31 H new ATOM 0 HB3 GLN A 57 -7.805 16.899 -13.621 1.00 1.31 H new ATOM 0 HG2 GLN A 57 -9.051 19.239 -12.224 1.00 44.11 H new ATOM 0 HG3 GLN A 57 -9.230 17.661 -11.483 1.00 44.11 H new ATOM 0 HE21 GLN A 57 -7.522 20.308 -11.114 1.00 52.12 H new ATOM 0 HE22 GLN A 57 -5.928 19.665 -10.705 1.00 52.12 H new ATOM 563 N GLY A 58 -9.083 16.855 -16.280 1.00 51.34 N ATOM 564 CA GLY A 58 -8.914 16.092 -17.503 1.00 73.10 C ATOM 565 C GLY A 58 -10.188 16.018 -18.321 1.00 52.31 C ATOM 566 O GLY A 58 -11.247 16.459 -17.874 1.00 74.21 O ATOM 0 H GLY A 58 -9.847 16.541 -15.681 1.00 51.34 H new ATOM 0 HA2 GLY A 58 -8.126 16.545 -18.104 1.00 73.10 H new ATOM 0 HA3 GLY A 58 -8.586 15.083 -17.255 1.00 73.10 H new ATOM 570 N ASP A 59 -10.086 15.462 -19.523 1.00 71.01 N ATOM 571 CA ASP A 59 -11.239 15.333 -20.406 1.00 73.23 C ATOM 572 C ASP A 59 -12.130 14.174 -19.971 1.00 32.42 C ATOM 573 O ASP A 59 -11.640 13.123 -19.556 1.00 2.11 O ATOM 574 CB ASP A 59 -10.782 15.126 -21.851 1.00 25.31 C ATOM 575 CG ASP A 59 -10.010 16.314 -22.390 1.00 1.22 C ATOM 576 OD1 ASP A 59 -10.639 17.360 -22.654 1.00 13.30 O ATOM 577 OD2 ASP A 59 -8.777 16.199 -22.546 1.00 64.35 O ATOM 0 H ASP A 59 -9.216 15.093 -19.908 1.00 71.01 H new ATOM 0 HA ASP A 59 -11.817 16.255 -20.344 1.00 73.23 H new ATOM 0 HB2 ASP A 59 -10.157 14.235 -21.907 1.00 25.31 H new ATOM 0 HB3 ASP A 59 -11.652 14.945 -22.482 1.00 25.31 H new ATOM 582 N ILE A 60 -13.440 14.373 -20.067 1.00 74.52 N ATOM 583 CA ILE A 60 -14.399 13.344 -19.683 1.00 70.22 C ATOM 584 C ILE A 60 -14.984 12.652 -20.910 1.00 24.32 C ATOM 585 O ILE A 60 -15.387 13.306 -21.872 1.00 54.11 O ATOM 586 CB ILE A 60 -15.548 13.931 -18.842 1.00 72.25 C ATOM 587 CG1 ILE A 60 -14.992 14.670 -17.624 1.00 3.01 C ATOM 588 CG2 ILE A 60 -16.504 12.829 -18.410 1.00 10.24 C ATOM 589 CD1 ILE A 60 -14.791 16.151 -17.855 1.00 40.34 C ATOM 0 H ILE A 60 -13.862 15.237 -20.407 1.00 74.52 H new ATOM 0 HA ILE A 60 -13.856 12.615 -19.082 1.00 70.22 H new ATOM 0 HB ILE A 60 -16.100 14.644 -19.454 1.00 72.25 H new ATOM 0 HG12 ILE A 60 -15.672 14.531 -16.783 1.00 3.01 H new ATOM 0 HG13 ILE A 60 -14.039 14.222 -17.341 1.00 3.01 H new ATOM 0 HG21 ILE A 60 -17.311 13.259 -17.816 1.00 10.24 H new ATOM 0 HG22 ILE A 60 -16.922 12.343 -19.292 1.00 10.24 H new ATOM 0 HG23 ILE A 60 -15.966 12.094 -17.812 1.00 10.24 H new ATOM 0 HD11 ILE A 60 -14.395 16.610 -16.949 1.00 40.34 H new ATOM 0 HD12 ILE A 60 -14.088 16.299 -18.675 1.00 40.34 H new ATOM 0 HD13 ILE A 60 -15.745 16.613 -18.108 1.00 40.34 H new ATOM 601 N LEU A 61 -15.028 11.325 -20.869 1.00 23.35 N ATOM 602 CA LEU A 61 -15.565 10.542 -21.976 1.00 52.22 C ATOM 603 C LEU A 61 -17.013 10.144 -21.709 1.00 73.04 C ATOM 604 O LEU A 61 -17.795 9.947 -22.640 1.00 0.21 O ATOM 605 CB LEU A 61 -14.714 9.292 -22.203 1.00 70.25 C ATOM 606 CG LEU A 61 -13.205 9.466 -22.028 1.00 50.01 C ATOM 607 CD1 LEU A 61 -12.472 8.191 -22.415 1.00 41.12 C ATOM 608 CD2 LEU A 61 -12.705 10.643 -22.853 1.00 64.30 C ATOM 0 H LEU A 61 -14.698 10.768 -20.080 1.00 23.35 H new ATOM 0 HA LEU A 61 -15.537 11.160 -22.873 1.00 52.22 H new ATOM 0 HB2 LEU A 61 -15.052 8.517 -21.515 1.00 70.25 H new ATOM 0 HB3 LEU A 61 -14.903 8.927 -23.213 1.00 70.25 H new ATOM 0 HG LEU A 61 -13.002 9.672 -20.977 1.00 50.01 H new ATOM 0 HD11 LEU A 61 -11.399 8.334 -22.284 1.00 41.12 H new ATOM 0 HD12 LEU A 61 -12.809 7.371 -21.781 1.00 41.12 H new ATOM 0 HD13 LEU A 61 -12.682 7.953 -23.458 1.00 41.12 H new ATOM 0 HD21 LEU A 61 -11.629 10.752 -22.716 1.00 64.30 H new ATOM 0 HD22 LEU A 61 -12.921 10.467 -23.907 1.00 64.30 H new ATOM 0 HD23 LEU A 61 -13.206 11.555 -22.528 1.00 64.30 H new ATOM 620 N ASP A 62 -17.364 10.029 -20.433 1.00 51.23 N ATOM 621 CA ASP A 62 -18.719 9.658 -20.043 1.00 74.24 C ATOM 622 C ASP A 62 -18.849 9.591 -18.525 1.00 21.02 C ATOM 623 O ASP A 62 -18.092 8.884 -17.858 1.00 75.13 O ATOM 624 CB ASP A 62 -19.099 8.311 -20.660 1.00 33.31 C ATOM 625 CG ASP A 62 -20.412 8.369 -21.416 1.00 12.44 C ATOM 626 OD1 ASP A 62 -21.318 9.108 -20.975 1.00 51.13 O ATOM 627 OD2 ASP A 62 -20.534 7.678 -22.448 1.00 24.41 O ATOM 0 H ASP A 62 -16.729 10.187 -19.651 1.00 51.23 H new ATOM 0 HA ASP A 62 -19.400 10.424 -20.414 1.00 74.24 H new ATOM 0 HB2 ASP A 62 -18.308 7.989 -21.337 1.00 33.31 H new ATOM 0 HB3 ASP A 62 -19.170 7.561 -19.872 1.00 33.31 H new ATOM 632 N ILE A 63 -19.811 10.332 -17.985 1.00 62.20 N ATOM 633 CA ILE A 63 -20.039 10.356 -16.546 1.00 3.24 C ATOM 634 C ILE A 63 -21.270 9.539 -16.170 1.00 61.30 C ATOM 635 O ILE A 63 -22.396 9.901 -16.509 1.00 55.40 O ATOM 636 CB ILE A 63 -20.215 11.796 -16.028 1.00 22.12 C ATOM 637 CG1 ILE A 63 -19.001 12.648 -16.404 1.00 52.51 C ATOM 638 CG2 ILE A 63 -20.421 11.795 -14.521 1.00 15.15 C ATOM 639 CD1 ILE A 63 -19.080 14.070 -15.893 1.00 43.13 C ATOM 0 H ILE A 63 -20.445 10.923 -18.523 1.00 62.20 H new ATOM 0 HA ILE A 63 -19.158 9.916 -16.080 1.00 3.24 H new ATOM 0 HB ILE A 63 -21.099 12.229 -16.496 1.00 22.12 H new ATOM 0 HG12 ILE A 63 -18.101 12.178 -16.009 1.00 52.51 H new ATOM 0 HG13 ILE A 63 -18.901 12.665 -17.489 1.00 52.51 H new ATOM 0 HG21 ILE A 63 -20.544 12.820 -14.170 1.00 15.15 H new ATOM 0 HG22 ILE A 63 -21.313 11.218 -14.276 1.00 15.15 H new ATOM 0 HG23 ILE A 63 -19.554 11.347 -14.036 1.00 15.15 H new ATOM 0 HD11 ILE A 63 -18.187 14.616 -16.196 1.00 43.13 H new ATOM 0 HD12 ILE A 63 -19.962 14.558 -16.309 1.00 43.13 H new ATOM 0 HD13 ILE A 63 -19.149 14.062 -14.805 1.00 43.13 H new ATOM 651 N VAL A 64 -21.047 8.433 -15.466 1.00 15.43 N ATOM 652 CA VAL A 64 -22.139 7.565 -15.041 1.00 1.13 C ATOM 653 C VAL A 64 -22.584 7.897 -13.621 1.00 22.43 C ATOM 654 O VAL A 64 -21.780 8.317 -12.789 1.00 24.44 O ATOM 655 CB VAL A 64 -21.733 6.081 -15.106 1.00 73.35 C ATOM 656 CG1 VAL A 64 -22.917 5.188 -14.766 1.00 61.02 C ATOM 657 CG2 VAL A 64 -21.177 5.741 -16.481 1.00 2.30 C ATOM 0 H VAL A 64 -20.121 8.117 -15.178 1.00 15.43 H new ATOM 0 HA VAL A 64 -22.967 7.738 -15.728 1.00 1.13 H new ATOM 0 HB VAL A 64 -20.951 5.904 -14.368 1.00 73.35 H new ATOM 0 HG11 VAL A 64 -22.611 4.143 -14.817 1.00 61.02 H new ATOM 0 HG12 VAL A 64 -23.266 5.415 -13.759 1.00 61.02 H new ATOM 0 HG13 VAL A 64 -23.723 5.365 -15.478 1.00 61.02 H new ATOM 0 HG21 VAL A 64 -20.895 4.688 -16.509 1.00 2.30 H new ATOM 0 HG22 VAL A 64 -21.937 5.934 -17.238 1.00 2.30 H new ATOM 0 HG23 VAL A 64 -20.300 6.357 -16.681 1.00 2.30 H new ATOM 667 N VAL A 65 -23.871 7.705 -13.350 1.00 21.43 N ATOM 668 CA VAL A 65 -24.424 7.982 -12.029 1.00 63.52 C ATOM 669 C VAL A 65 -25.449 6.926 -11.630 1.00 41.02 C ATOM 670 O VAL A 65 -26.187 6.413 -12.472 1.00 1.33 O ATOM 671 CB VAL A 65 -25.087 9.371 -11.979 1.00 31.34 C ATOM 672 CG1 VAL A 65 -25.617 9.659 -10.582 1.00 73.23 C ATOM 673 CG2 VAL A 65 -24.105 10.446 -12.417 1.00 43.12 C ATOM 0 H VAL A 65 -24.550 7.359 -14.027 1.00 21.43 H new ATOM 0 HA VAL A 65 -23.592 7.960 -11.326 1.00 63.52 H new ATOM 0 HB VAL A 65 -25.930 9.378 -12.670 1.00 31.34 H new ATOM 0 HG11 VAL A 65 -26.082 10.645 -10.565 1.00 73.23 H new ATOM 0 HG12 VAL A 65 -26.355 8.905 -10.310 1.00 73.23 H new ATOM 0 HG13 VAL A 65 -24.794 9.634 -9.868 1.00 73.23 H new ATOM 0 HG21 VAL A 65 -24.591 11.421 -12.376 1.00 43.12 H new ATOM 0 HG22 VAL A 65 -23.241 10.442 -11.752 1.00 43.12 H new ATOM 0 HG23 VAL A 65 -23.778 10.246 -13.438 1.00 43.12 H new ATOM 683 N ASP A 66 -25.489 6.606 -10.342 1.00 14.35 N ATOM 684 CA ASP A 66 -26.426 5.612 -9.829 1.00 43.34 C ATOM 685 C ASP A 66 -27.832 6.195 -9.722 1.00 25.22 C ATOM 686 O ASP A 66 -28.129 7.239 -10.304 1.00 3.15 O ATOM 687 CB ASP A 66 -25.965 5.103 -8.463 1.00 11.23 C ATOM 688 CG ASP A 66 -26.214 3.618 -8.284 1.00 14.51 C ATOM 689 OD1 ASP A 66 -26.112 2.875 -9.282 1.00 61.22 O ATOM 690 OD2 ASP A 66 -26.511 3.200 -7.146 1.00 11.04 O ATOM 0 H ASP A 66 -24.884 7.020 -9.633 1.00 14.35 H new ATOM 0 HA ASP A 66 -26.451 4.777 -10.529 1.00 43.34 H new ATOM 0 HB2 ASP A 66 -24.901 5.307 -8.343 1.00 11.23 H new ATOM 0 HB3 ASP A 66 -26.486 5.653 -7.679 1.00 11.23 H new ATOM 695 N LEU A 67 -28.693 5.513 -8.975 1.00 72.24 N ATOM 696 CA LEU A 67 -30.069 5.962 -8.792 1.00 71.40 C ATOM 697 C LEU A 67 -30.245 6.639 -7.437 1.00 21.34 C ATOM 698 O LEU A 67 -31.367 6.906 -7.006 1.00 44.41 O ATOM 699 CB LEU A 67 -31.032 4.780 -8.913 1.00 74.42 C ATOM 700 CG LEU A 67 -30.644 3.516 -8.144 1.00 54.04 C ATOM 701 CD1 LEU A 67 -29.628 2.703 -8.931 1.00 41.43 C ATOM 702 CD2 LEU A 67 -30.095 3.875 -6.771 1.00 74.32 C ATOM 0 H LEU A 67 -28.463 4.648 -8.486 1.00 72.24 H new ATOM 0 HA LEU A 67 -30.295 6.688 -9.573 1.00 71.40 H new ATOM 0 HB2 LEU A 67 -32.015 5.102 -8.570 1.00 74.42 H new ATOM 0 HB3 LEU A 67 -31.130 4.524 -9.968 1.00 74.42 H new ATOM 0 HG LEU A 67 -31.538 2.907 -8.008 1.00 54.04 H new ATOM 0 HD11 LEU A 67 -29.364 1.808 -8.368 1.00 41.43 H new ATOM 0 HD12 LEU A 67 -30.057 2.415 -9.891 1.00 41.43 H new ATOM 0 HD13 LEU A 67 -28.734 3.303 -9.099 1.00 41.43 H new ATOM 0 HD21 LEU A 67 -29.824 2.964 -6.238 1.00 74.32 H new ATOM 0 HD22 LEU A 67 -29.213 4.505 -6.885 1.00 74.32 H new ATOM 0 HD23 LEU A 67 -30.855 4.414 -6.205 1.00 74.32 H new ATOM 714 N SER A 68 -29.129 6.915 -6.770 1.00 22.14 N ATOM 715 CA SER A 68 -29.159 7.560 -5.462 1.00 74.31 C ATOM 716 C SER A 68 -30.138 6.852 -4.530 1.00 71.11 C ATOM 717 O SER A 68 -31.292 7.261 -4.396 1.00 45.14 O ATOM 718 CB SER A 68 -29.548 9.032 -5.605 1.00 52.52 C ATOM 719 OG SER A 68 -28.401 9.864 -5.615 1.00 1.20 O ATOM 0 H SER A 68 -28.193 6.702 -7.114 1.00 22.14 H new ATOM 0 HA SER A 68 -28.161 7.496 -5.029 1.00 74.31 H new ATOM 0 HB2 SER A 68 -30.112 9.174 -6.527 1.00 52.52 H new ATOM 0 HB3 SER A 68 -30.203 9.320 -4.783 1.00 52.52 H new ATOM 0 HG SER A 68 -28.574 10.653 -6.169 1.00 1.20 H new ATOM 725 N ASP A 69 -29.669 5.788 -3.888 1.00 31.30 N ATOM 726 CA ASP A 69 -30.501 5.022 -2.967 1.00 53.21 C ATOM 727 C ASP A 69 -30.564 5.699 -1.601 1.00 74.52 C ATOM 728 O ASP A 69 -30.810 5.047 -0.586 1.00 12.33 O ATOM 729 CB ASP A 69 -29.961 3.599 -2.821 1.00 20.23 C ATOM 730 CG ASP A 69 -31.046 2.601 -2.466 1.00 0.33 C ATOM 731 OD1 ASP A 69 -32.235 2.912 -2.691 1.00 23.20 O ATOM 732 OD2 ASP A 69 -30.706 1.510 -1.964 1.00 34.35 O ATOM 0 H ASP A 69 -28.717 5.436 -3.988 1.00 31.30 H new ATOM 0 HA ASP A 69 -31.510 4.978 -3.378 1.00 53.21 H new ATOM 0 HB2 ASP A 69 -29.485 3.297 -3.754 1.00 20.23 H new ATOM 0 HB3 ASP A 69 -29.191 3.583 -2.050 1.00 20.23 H new ATOM 737 N ASP A 70 -30.340 7.008 -1.584 1.00 61.32 N ATOM 738 CA ASP A 70 -30.371 7.773 -0.343 1.00 71.21 C ATOM 739 C ASP A 70 -29.118 7.512 0.487 1.00 13.35 C ATOM 740 O ASP A 70 -28.363 8.433 0.794 1.00 4.32 O ATOM 741 CB ASP A 70 -31.619 7.419 0.468 1.00 64.11 C ATOM 742 CG ASP A 70 -32.241 8.632 1.132 1.00 70.45 C ATOM 743 OD1 ASP A 70 -31.503 9.600 1.407 1.00 13.44 O ATOM 744 OD2 ASP A 70 -33.466 8.611 1.376 1.00 42.41 O ATOM 0 H ASP A 70 -30.135 7.562 -2.416 1.00 61.32 H new ATOM 0 HA ASP A 70 -30.402 8.832 -0.598 1.00 71.21 H new ATOM 0 HB2 ASP A 70 -32.354 6.950 -0.187 1.00 64.11 H new ATOM 0 HB3 ASP A 70 -31.357 6.685 1.230 1.00 64.11 H new ATOM 749 N ASN A 71 -28.906 6.251 0.849 1.00 1.10 N ATOM 750 CA ASN A 71 -27.746 5.870 1.646 1.00 65.52 C ATOM 751 C ASN A 71 -26.591 5.430 0.750 1.00 12.31 C ATOM 752 O ASN A 71 -25.434 5.421 1.171 1.00 53.44 O ATOM 753 CB ASN A 71 -28.113 4.742 2.613 1.00 51.13 C ATOM 754 CG ASN A 71 -28.293 5.236 4.035 1.00 23.02 C ATOM 755 OD1 ASN A 71 -28.613 6.403 4.263 1.00 32.53 O ATOM 756 ND2 ASN A 71 -28.086 4.348 5.000 1.00 31.53 N ATOM 0 H ASN A 71 -29.522 5.476 0.603 1.00 1.10 H new ATOM 0 HA ASN A 71 -27.428 6.741 2.218 1.00 65.52 H new ATOM 0 HB2 ASN A 71 -29.034 4.265 2.278 1.00 51.13 H new ATOM 0 HB3 ASN A 71 -27.333 3.981 2.592 1.00 51.13 H new ATOM 0 HD21 ASN A 71 -28.191 4.623 5.977 1.00 31.53 H new ATOM 0 HD22 ASN A 71 -27.822 3.391 4.765 1.00 31.53 H new ATOM 763 N SER A 72 -26.914 5.067 -0.487 1.00 14.01 N ATOM 764 CA SER A 72 -25.905 4.624 -1.442 1.00 33.54 C ATOM 765 C SER A 72 -25.224 5.816 -2.106 1.00 11.45 C ATOM 766 O SER A 72 -24.082 6.148 -1.790 1.00 13.41 O ATOM 767 CB SER A 72 -26.539 3.726 -2.506 1.00 54.43 C ATOM 768 OG SER A 72 -27.021 2.521 -1.937 1.00 11.51 O ATOM 0 H SER A 72 -27.867 5.071 -0.852 1.00 14.01 H new ATOM 0 HA SER A 72 -25.151 4.055 -0.898 1.00 33.54 H new ATOM 0 HB2 SER A 72 -27.359 4.256 -2.992 1.00 54.43 H new ATOM 0 HB3 SER A 72 -25.805 3.498 -3.279 1.00 54.43 H new ATOM 0 HG SER A 72 -27.423 1.966 -2.638 1.00 11.51 H new ATOM 774 N GLY A 73 -25.935 6.458 -3.029 1.00 23.45 N ATOM 775 CA GLY A 73 -25.384 7.606 -3.723 1.00 42.44 C ATOM 776 C GLY A 73 -23.981 7.354 -4.238 1.00 44.34 C ATOM 777 O GLY A 73 -22.999 7.605 -3.538 1.00 74.21 O ATOM 0 H GLY A 73 -26.882 6.203 -3.308 1.00 23.45 H new ATOM 0 HA2 GLY A 73 -26.033 7.867 -4.559 1.00 42.44 H new ATOM 0 HA3 GLY A 73 -25.372 8.463 -3.049 1.00 42.44 H new ATOM 781 N LYS A 74 -23.883 6.855 -5.466 1.00 14.30 N ATOM 782 CA LYS A 74 -22.590 6.568 -6.076 1.00 14.05 C ATOM 783 C LYS A 74 -22.571 6.998 -7.539 1.00 73.50 C ATOM 784 O LYS A 74 -23.620 7.169 -8.159 1.00 14.32 O ATOM 785 CB LYS A 74 -22.273 5.075 -5.967 1.00 62.10 C ATOM 786 CG LYS A 74 -23.302 4.184 -6.641 1.00 21.45 C ATOM 787 CD LYS A 74 -23.367 2.814 -5.986 1.00 61.21 C ATOM 788 CE LYS A 74 -22.655 1.762 -6.823 1.00 71.01 C ATOM 789 NZ LYS A 74 -22.961 0.381 -6.356 1.00 55.45 N ATOM 0 H LYS A 74 -24.685 6.641 -6.059 1.00 14.30 H new ATOM 0 HA LYS A 74 -21.829 7.135 -5.540 1.00 14.05 H new ATOM 0 HB2 LYS A 74 -21.295 4.886 -6.410 1.00 62.10 H new ATOM 0 HB3 LYS A 74 -22.203 4.803 -4.914 1.00 62.10 H new ATOM 0 HG2 LYS A 74 -24.282 4.658 -6.593 1.00 21.45 H new ATOM 0 HG3 LYS A 74 -23.053 4.072 -7.696 1.00 21.45 H new ATOM 0 HD2 LYS A 74 -22.914 2.861 -4.996 1.00 61.21 H new ATOM 0 HD3 LYS A 74 -24.409 2.525 -5.846 1.00 61.21 H new ATOM 0 HE2 LYS A 74 -22.952 1.866 -7.867 1.00 71.01 H new ATOM 0 HE3 LYS A 74 -21.579 1.930 -6.779 1.00 71.01 H new ATOM 0 HZ1 LYS A 74 -22.457 -0.307 -6.952 1.00 55.45 H new ATOM 0 HZ2 LYS A 74 -22.655 0.273 -5.368 1.00 55.45 H new ATOM 0 HZ3 LYS A 74 -23.985 0.211 -6.422 1.00 55.45 H new ATOM 803 N ALA A 75 -21.372 7.168 -8.085 1.00 61.14 N ATOM 804 CA ALA A 75 -21.217 7.574 -9.477 1.00 21.42 C ATOM 805 C ALA A 75 -19.824 7.233 -9.996 1.00 73.43 C ATOM 806 O ALA A 75 -18.957 6.798 -9.238 1.00 14.04 O ATOM 807 CB ALA A 75 -21.488 9.063 -9.625 1.00 44.54 C ATOM 0 H ALA A 75 -20.493 7.031 -7.585 1.00 61.14 H new ATOM 0 HA ALA A 75 -21.943 7.023 -10.074 1.00 21.42 H new ATOM 0 HB1 ALA A 75 -21.369 9.353 -10.669 1.00 44.54 H new ATOM 0 HB2 ALA A 75 -22.506 9.281 -9.302 1.00 44.54 H new ATOM 0 HB3 ALA A 75 -20.784 9.624 -9.010 1.00 44.54 H new ATOM 813 N TYR A 76 -19.617 7.432 -11.293 1.00 62.41 N ATOM 814 CA TYR A 76 -18.330 7.142 -11.914 1.00 61.04 C ATOM 815 C TYR A 76 -18.021 8.145 -13.021 1.00 53.44 C ATOM 816 O TYR A 76 -18.834 8.363 -13.921 1.00 4.32 O ATOM 817 CB TYR A 76 -18.322 5.721 -12.482 1.00 0.53 C ATOM 818 CG TYR A 76 -19.079 4.726 -11.632 1.00 22.11 C ATOM 819 CD1 TYR A 76 -20.451 4.562 -11.774 1.00 51.33 C ATOM 820 CD2 TYR A 76 -18.421 3.948 -10.687 1.00 20.10 C ATOM 821 CE1 TYR A 76 -21.146 3.654 -10.999 1.00 54.44 C ATOM 822 CE2 TYR A 76 -19.108 3.036 -9.909 1.00 10.43 C ATOM 823 CZ TYR A 76 -20.471 2.894 -10.068 1.00 64.33 C ATOM 824 OH TYR A 76 -21.159 1.987 -9.295 1.00 55.24 O ATOM 0 H TYR A 76 -20.323 7.793 -11.934 1.00 62.41 H new ATOM 0 HA TYR A 76 -17.559 7.224 -11.148 1.00 61.04 H new ATOM 0 HB2 TYR A 76 -18.755 5.736 -13.482 1.00 0.53 H new ATOM 0 HB3 TYR A 76 -17.290 5.386 -12.587 1.00 0.53 H new ATOM 0 HD1 TYR A 76 -20.984 5.155 -12.503 1.00 51.33 H new ATOM 0 HD2 TYR A 76 -17.354 4.058 -10.559 1.00 20.10 H new ATOM 0 HE1 TYR A 76 -22.213 3.540 -11.122 1.00 54.44 H new ATOM 0 HE2 TYR A 76 -18.581 2.438 -9.181 1.00 10.43 H new ATOM 0 HH TYR A 76 -20.535 1.533 -8.690 1.00 55.24 H new ATOM 834 N ILE A 77 -16.842 8.753 -12.948 1.00 62.33 N ATOM 835 CA ILE A 77 -16.424 9.732 -13.944 1.00 71.43 C ATOM 836 C ILE A 77 -15.344 9.161 -14.857 1.00 73.41 C ATOM 837 O ILE A 77 -14.190 9.014 -14.455 1.00 60.11 O ATOM 838 CB ILE A 77 -15.894 11.017 -13.282 1.00 41.13 C ATOM 839 CG1 ILE A 77 -16.878 11.513 -12.221 1.00 2.41 C ATOM 840 CG2 ILE A 77 -15.651 12.092 -14.331 1.00 75.14 C ATOM 841 CD1 ILE A 77 -16.424 12.774 -11.519 1.00 12.12 C ATOM 0 H ILE A 77 -16.159 8.585 -12.209 1.00 62.33 H new ATOM 0 HA ILE A 77 -17.306 9.975 -14.537 1.00 71.43 H new ATOM 0 HB ILE A 77 -14.946 10.792 -12.794 1.00 41.13 H new ATOM 0 HG12 ILE A 77 -17.845 11.696 -12.691 1.00 2.41 H new ATOM 0 HG13 ILE A 77 -17.027 10.728 -11.480 1.00 2.41 H new ATOM 0 HG21 ILE A 77 -15.277 12.994 -13.847 1.00 75.14 H new ATOM 0 HG22 ILE A 77 -14.917 11.736 -15.053 1.00 75.14 H new ATOM 0 HG23 ILE A 77 -16.586 12.317 -14.845 1.00 75.14 H new ATOM 0 HD11 ILE A 77 -17.170 13.068 -10.780 1.00 12.12 H new ATOM 0 HD12 ILE A 77 -15.472 12.590 -11.020 1.00 12.12 H new ATOM 0 HD13 ILE A 77 -16.302 13.574 -12.250 1.00 12.12 H new ATOM 853 N VAL A 78 -15.727 8.841 -16.089 1.00 42.35 N ATOM 854 CA VAL A 78 -14.791 8.289 -17.062 1.00 1.14 C ATOM 855 C VAL A 78 -13.962 9.390 -17.713 1.00 2.20 C ATOM 856 O VAL A 78 -14.505 10.345 -18.270 1.00 31.45 O ATOM 857 CB VAL A 78 -15.525 7.496 -18.160 1.00 3.54 C ATOM 858 CG1 VAL A 78 -14.527 6.794 -19.068 1.00 54.13 C ATOM 859 CG2 VAL A 78 -16.490 6.497 -17.540 1.00 23.01 C ATOM 0 H VAL A 78 -16.679 8.954 -16.437 1.00 42.35 H new ATOM 0 HA VAL A 78 -14.130 7.614 -16.518 1.00 1.14 H new ATOM 0 HB VAL A 78 -16.102 8.195 -18.766 1.00 3.54 H new ATOM 0 HG11 VAL A 78 -15.063 6.239 -19.838 1.00 54.13 H new ATOM 0 HG12 VAL A 78 -13.880 7.534 -19.539 1.00 54.13 H new ATOM 0 HG13 VAL A 78 -13.921 6.105 -18.479 1.00 54.13 H new ATOM 0 HG21 VAL A 78 -17.000 5.945 -18.330 1.00 23.01 H new ATOM 0 HG22 VAL A 78 -15.937 5.800 -16.910 1.00 23.01 H new ATOM 0 HG23 VAL A 78 -17.225 7.028 -16.936 1.00 23.01 H new ATOM 869 N PHE A 79 -12.642 9.251 -17.640 1.00 52.13 N ATOM 870 CA PHE A 79 -11.737 10.234 -18.223 1.00 5.52 C ATOM 871 C PHE A 79 -11.026 9.662 -19.446 1.00 1.22 C ATOM 872 O PHE A 79 -11.234 8.507 -19.814 1.00 33.42 O ATOM 873 CB PHE A 79 -10.706 10.687 -17.186 1.00 15.50 C ATOM 874 CG PHE A 79 -11.265 11.631 -16.159 1.00 64.20 C ATOM 875 CD1 PHE A 79 -11.338 12.990 -16.415 1.00 41.52 C ATOM 876 CD2 PHE A 79 -11.715 11.158 -14.937 1.00 74.11 C ATOM 877 CE1 PHE A 79 -11.851 13.861 -15.473 1.00 13.35 C ATOM 878 CE2 PHE A 79 -12.230 12.024 -13.991 1.00 31.32 C ATOM 879 CZ PHE A 79 -12.297 13.377 -14.258 1.00 40.23 C ATOM 0 H PHE A 79 -12.176 8.467 -17.183 1.00 52.13 H new ATOM 0 HA PHE A 79 -12.329 11.094 -18.538 1.00 5.52 H new ATOM 0 HB2 PHE A 79 -10.301 9.810 -16.680 1.00 15.50 H new ATOM 0 HB3 PHE A 79 -9.875 11.171 -17.699 1.00 15.50 H new ATOM 0 HD1 PHE A 79 -10.990 13.374 -17.363 1.00 41.52 H new ATOM 0 HD2 PHE A 79 -11.663 10.101 -14.721 1.00 74.11 H new ATOM 0 HE1 PHE A 79 -11.903 14.918 -15.686 1.00 13.35 H new ATOM 0 HE2 PHE A 79 -12.580 11.643 -13.043 1.00 31.32 H new ATOM 0 HZ PHE A 79 -12.697 14.055 -13.519 1.00 40.23 H new ATOM 889 N ALA A 80 -10.186 10.480 -20.072 1.00 12.54 N ATOM 890 CA ALA A 80 -9.444 10.056 -21.252 1.00 5.41 C ATOM 891 C ALA A 80 -8.491 8.913 -20.920 1.00 33.43 C ATOM 892 O ALA A 80 -8.377 7.946 -21.675 1.00 10.34 O ATOM 893 CB ALA A 80 -8.676 11.230 -21.842 1.00 51.14 C ATOM 0 H ALA A 80 -10.003 11.440 -19.781 1.00 12.54 H new ATOM 0 HA ALA A 80 -10.160 9.695 -21.990 1.00 5.41 H new ATOM 0 HB1 ALA A 80 -8.126 10.899 -22.723 1.00 51.14 H new ATOM 0 HB2 ALA A 80 -9.375 12.017 -22.125 1.00 51.14 H new ATOM 0 HB3 ALA A 80 -7.976 11.616 -21.101 1.00 51.14 H new ATOM 899 N THR A 81 -7.808 9.028 -19.785 1.00 42.13 N ATOM 900 CA THR A 81 -6.864 8.005 -19.354 1.00 62.22 C ATOM 901 C THR A 81 -6.507 8.171 -17.881 1.00 75.03 C ATOM 902 O THR A 81 -6.829 9.188 -17.267 1.00 63.13 O ATOM 903 CB THR A 81 -5.571 8.045 -20.191 1.00 32.40 C ATOM 904 OG1 THR A 81 -5.719 8.966 -21.277 1.00 4.53 O ATOM 905 CG2 THR A 81 -5.235 6.664 -20.734 1.00 32.34 C ATOM 0 H THR A 81 -7.891 9.820 -19.148 1.00 42.13 H new ATOM 0 HA THR A 81 -7.354 7.042 -19.500 1.00 62.22 H new ATOM 0 HB THR A 81 -4.756 8.373 -19.545 1.00 32.40 H new ATOM 0 HG1 THR A 81 -4.893 8.987 -21.803 1.00 4.53 H new ATOM 0 HG21 THR A 81 -4.318 6.717 -21.322 1.00 32.34 H new ATOM 0 HG22 THR A 81 -5.095 5.971 -19.904 1.00 32.34 H new ATOM 0 HG23 THR A 81 -6.051 6.313 -21.366 1.00 32.34 H new ATOM 913 N GLN A 82 -5.842 7.166 -17.321 1.00 42.13 N ATOM 914 CA GLN A 82 -5.442 7.202 -15.920 1.00 11.35 C ATOM 915 C GLN A 82 -4.682 8.486 -15.603 1.00 65.24 C ATOM 916 O GLN A 82 -4.719 8.978 -14.476 1.00 40.44 O ATOM 917 CB GLN A 82 -4.577 5.987 -15.582 1.00 71.44 C ATOM 918 CG GLN A 82 -4.792 5.459 -14.173 1.00 72.11 C ATOM 919 CD GLN A 82 -3.723 5.927 -13.205 1.00 72.53 C ATOM 920 OE1 GLN A 82 -2.929 6.813 -13.521 1.00 23.13 O ATOM 921 NE2 GLN A 82 -3.698 5.332 -12.018 1.00 63.23 N ATOM 0 H GLN A 82 -5.569 6.317 -17.816 1.00 42.13 H new ATOM 0 HA GLN A 82 -6.345 7.176 -15.311 1.00 11.35 H new ATOM 0 HB2 GLN A 82 -4.789 5.191 -16.296 1.00 71.44 H new ATOM 0 HB3 GLN A 82 -3.527 6.254 -15.705 1.00 71.44 H new ATOM 0 HG2 GLN A 82 -5.769 5.782 -13.813 1.00 72.11 H new ATOM 0 HG3 GLN A 82 -4.805 4.369 -14.195 1.00 72.11 H new ATOM 0 HE21 GLN A 82 -4.376 4.602 -11.799 1.00 63.23 H new ATOM 0 HE22 GLN A 82 -3.001 5.605 -11.325 1.00 63.23 H new ATOM 930 N GLU A 83 -3.992 9.022 -16.606 1.00 20.42 N ATOM 931 CA GLU A 83 -3.222 10.248 -16.433 1.00 24.52 C ATOM 932 C GLU A 83 -4.110 11.383 -15.933 1.00 35.31 C ATOM 933 O GLU A 83 -3.809 12.024 -14.927 1.00 11.34 O ATOM 934 CB GLU A 83 -2.557 10.649 -17.751 1.00 65.41 C ATOM 935 CG GLU A 83 -1.196 10.007 -17.966 1.00 41.32 C ATOM 936 CD GLU A 83 -0.736 10.085 -19.409 1.00 60.11 C ATOM 937 OE1 GLU A 83 -1.566 9.846 -20.311 1.00 20.33 O ATOM 938 OE2 GLU A 83 0.455 10.385 -19.636 1.00 51.31 O ATOM 0 H GLU A 83 -3.951 8.627 -17.545 1.00 20.42 H new ATOM 0 HA GLU A 83 -2.450 10.059 -15.687 1.00 24.52 H new ATOM 0 HB2 GLU A 83 -3.213 10.375 -18.577 1.00 65.41 H new ATOM 0 HB3 GLU A 83 -2.446 11.733 -17.777 1.00 65.41 H new ATOM 0 HG2 GLU A 83 -0.462 10.498 -17.327 1.00 41.32 H new ATOM 0 HG3 GLU A 83 -1.238 8.962 -17.658 1.00 41.32 H new ATOM 945 N SER A 84 -5.207 11.625 -16.644 1.00 70.11 N ATOM 946 CA SER A 84 -6.138 12.685 -16.276 1.00 51.11 C ATOM 947 C SER A 84 -6.945 12.295 -15.041 1.00 40.24 C ATOM 948 O SER A 84 -7.108 13.090 -14.116 1.00 44.22 O ATOM 949 CB SER A 84 -7.082 12.991 -17.441 1.00 31.43 C ATOM 950 OG SER A 84 -6.679 14.161 -18.131 1.00 22.33 O ATOM 0 H SER A 84 -5.473 11.101 -17.478 1.00 70.11 H new ATOM 0 HA SER A 84 -5.559 13.579 -16.043 1.00 51.11 H new ATOM 0 HB2 SER A 84 -7.100 12.147 -18.130 1.00 31.43 H new ATOM 0 HB3 SER A 84 -8.098 13.118 -17.066 1.00 31.43 H new ATOM 0 HG SER A 84 -7.297 14.333 -18.871 1.00 22.33 H new ATOM 956 N ALA A 85 -7.448 11.065 -15.035 1.00 53.23 N ATOM 957 CA ALA A 85 -8.236 10.568 -13.915 1.00 35.23 C ATOM 958 C ALA A 85 -7.491 10.748 -12.596 1.00 54.25 C ATOM 959 O ALA A 85 -8.002 11.370 -11.665 1.00 60.12 O ATOM 960 CB ALA A 85 -8.590 9.103 -14.127 1.00 53.30 C ATOM 0 H ALA A 85 -7.323 10.395 -15.794 1.00 53.23 H new ATOM 0 HA ALA A 85 -9.156 11.150 -13.865 1.00 35.23 H new ATOM 0 HB1 ALA A 85 -9.179 8.745 -13.282 1.00 53.30 H new ATOM 0 HB2 ALA A 85 -9.170 8.998 -15.044 1.00 53.30 H new ATOM 0 HB3 ALA A 85 -7.675 8.515 -14.207 1.00 53.30 H new ATOM 966 N GLN A 86 -6.283 10.200 -12.525 1.00 44.25 N ATOM 967 CA GLN A 86 -5.469 10.300 -11.320 1.00 4.21 C ATOM 968 C GLN A 86 -5.258 11.758 -10.924 1.00 53.15 C ATOM 969 O GLN A 86 -5.182 12.085 -9.741 1.00 2.43 O ATOM 970 CB GLN A 86 -4.117 9.617 -11.534 1.00 3.33 C ATOM 971 CG GLN A 86 -3.132 9.848 -10.399 1.00 11.42 C ATOM 972 CD GLN A 86 -2.011 8.828 -10.382 1.00 31.02 C ATOM 973 OE1 GLN A 86 -1.122 8.851 -11.234 1.00 32.04 O ATOM 974 NE2 GLN A 86 -2.047 7.925 -9.409 1.00 71.31 N ATOM 0 H GLN A 86 -5.846 9.682 -13.288 1.00 44.25 H new ATOM 0 HA GLN A 86 -5.999 9.796 -10.512 1.00 4.21 H new ATOM 0 HB2 GLN A 86 -4.276 8.545 -11.654 1.00 3.33 H new ATOM 0 HB3 GLN A 86 -3.679 9.980 -12.464 1.00 3.33 H new ATOM 0 HG2 GLN A 86 -2.707 10.848 -10.490 1.00 11.42 H new ATOM 0 HG3 GLN A 86 -3.664 9.813 -9.448 1.00 11.42 H new ATOM 0 HE21 GLN A 86 -2.803 7.943 -8.724 1.00 71.31 H new ATOM 0 HE22 GLN A 86 -1.319 7.213 -9.347 1.00 71.31 H new ATOM 983 N ALA A 87 -5.165 12.630 -11.924 1.00 33.54 N ATOM 984 CA ALA A 87 -4.965 14.053 -11.680 1.00 34.31 C ATOM 985 C ALA A 87 -6.157 14.656 -10.944 1.00 51.34 C ATOM 986 O ALA A 87 -5.994 15.343 -9.936 1.00 3.13 O ATOM 987 CB ALA A 87 -4.727 14.784 -12.992 1.00 40.54 C ATOM 0 H ALA A 87 -5.225 12.375 -12.910 1.00 33.54 H new ATOM 0 HA ALA A 87 -4.085 14.169 -11.048 1.00 34.31 H new ATOM 0 HB1 ALA A 87 -4.579 15.846 -12.795 1.00 40.54 H new ATOM 0 HB2 ALA A 87 -3.840 14.378 -13.479 1.00 40.54 H new ATOM 0 HB3 ALA A 87 -5.591 14.653 -13.644 1.00 40.54 H new ATOM 993 N PHE A 88 -7.356 14.396 -11.456 1.00 3.51 N ATOM 994 CA PHE A 88 -8.575 14.916 -10.848 1.00 73.02 C ATOM 995 C PHE A 88 -8.831 14.259 -9.495 1.00 71.20 C ATOM 996 O PHE A 88 -9.297 14.905 -8.557 1.00 15.04 O ATOM 997 CB PHE A 88 -9.771 14.684 -11.775 1.00 2.14 C ATOM 998 CG PHE A 88 -11.094 14.997 -11.136 1.00 23.12 C ATOM 999 CD1 PHE A 88 -11.772 14.033 -10.408 1.00 23.52 C ATOM 1000 CD2 PHE A 88 -11.659 16.255 -11.264 1.00 14.22 C ATOM 1001 CE1 PHE A 88 -12.989 14.317 -9.818 1.00 51.13 C ATOM 1002 CE2 PHE A 88 -12.876 16.546 -10.676 1.00 72.32 C ATOM 1003 CZ PHE A 88 -13.542 15.575 -9.954 1.00 14.23 C ATOM 0 H PHE A 88 -7.509 13.829 -12.290 1.00 3.51 H new ATOM 0 HA PHE A 88 -8.446 15.987 -10.693 1.00 73.02 H new ATOM 0 HB2 PHE A 88 -9.653 15.298 -12.668 1.00 2.14 H new ATOM 0 HB3 PHE A 88 -9.771 13.644 -12.102 1.00 2.14 H new ATOM 0 HD1 PHE A 88 -11.344 13.047 -10.300 1.00 23.52 H new ATOM 0 HD2 PHE A 88 -11.143 17.017 -11.829 1.00 14.22 H new ATOM 0 HE1 PHE A 88 -13.506 13.557 -9.252 1.00 51.13 H new ATOM 0 HE2 PHE A 88 -13.305 17.531 -10.781 1.00 72.32 H new ATOM 0 HZ PHE A 88 -14.494 15.799 -9.496 1.00 14.23 H new ATOM 1013 N VAL A 89 -8.523 12.969 -9.402 1.00 40.14 N ATOM 1014 CA VAL A 89 -8.719 12.223 -8.165 1.00 5.20 C ATOM 1015 C VAL A 89 -7.825 12.760 -7.053 1.00 24.02 C ATOM 1016 O VAL A 89 -8.251 12.881 -5.905 1.00 30.21 O ATOM 1017 CB VAL A 89 -8.430 10.723 -8.362 1.00 45.21 C ATOM 1018 CG1 VAL A 89 -8.570 9.975 -7.046 1.00 34.45 C ATOM 1019 CG2 VAL A 89 -9.353 10.138 -9.419 1.00 72.44 C ATOM 0 H VAL A 89 -8.137 12.419 -10.169 1.00 40.14 H new ATOM 0 HA VAL A 89 -9.764 12.349 -7.881 1.00 5.20 H new ATOM 0 HB VAL A 89 -7.402 10.611 -8.708 1.00 45.21 H new ATOM 0 HG11 VAL A 89 -8.362 8.917 -7.205 1.00 34.45 H new ATOM 0 HG12 VAL A 89 -7.863 10.379 -6.321 1.00 34.45 H new ATOM 0 HG13 VAL A 89 -9.585 10.092 -6.667 1.00 34.45 H new ATOM 0 HG21 VAL A 89 -9.135 9.078 -9.546 1.00 72.44 H new ATOM 0 HG22 VAL A 89 -10.390 10.261 -9.105 1.00 72.44 H new ATOM 0 HG23 VAL A 89 -9.197 10.656 -10.365 1.00 72.44 H new ATOM 1029 N GLU A 90 -6.583 13.081 -7.402 1.00 24.30 N ATOM 1030 CA GLU A 90 -5.628 13.605 -6.432 1.00 33.41 C ATOM 1031 C GLU A 90 -5.828 15.104 -6.227 1.00 33.52 C ATOM 1032 O GLU A 90 -5.515 15.643 -5.166 1.00 61.20 O ATOM 1033 CB GLU A 90 -4.195 13.328 -6.892 1.00 55.55 C ATOM 1034 CG GLU A 90 -3.737 14.228 -8.028 1.00 72.22 C ATOM 1035 CD GLU A 90 -2.308 13.950 -8.452 1.00 10.00 C ATOM 1036 OE1 GLU A 90 -1.463 13.711 -7.564 1.00 64.23 O ATOM 1037 OE2 GLU A 90 -2.035 13.972 -9.670 1.00 42.21 O ATOM 0 H GLU A 90 -6.215 12.987 -8.349 1.00 24.30 H new ATOM 0 HA GLU A 90 -5.800 13.100 -5.482 1.00 33.41 H new ATOM 0 HB2 GLU A 90 -3.520 13.453 -6.045 1.00 55.55 H new ATOM 0 HB3 GLU A 90 -4.119 12.288 -7.210 1.00 55.55 H new ATOM 0 HG2 GLU A 90 -4.399 14.092 -8.883 1.00 72.22 H new ATOM 0 HG3 GLU A 90 -3.824 15.270 -7.719 1.00 72.22 H new ATOM 1044 N ALA A 91 -6.352 15.770 -7.250 1.00 42.14 N ATOM 1045 CA ALA A 91 -6.595 17.206 -7.183 1.00 31.31 C ATOM 1046 C ALA A 91 -7.804 17.517 -6.308 1.00 34.15 C ATOM 1047 O ALA A 91 -7.954 18.634 -5.813 1.00 54.51 O ATOM 1048 CB ALA A 91 -6.793 17.774 -8.580 1.00 64.15 C ATOM 0 H ALA A 91 -6.617 15.338 -8.135 1.00 42.14 H new ATOM 0 HA ALA A 91 -5.721 17.677 -6.732 1.00 31.31 H new ATOM 0 HB1 ALA A 91 -6.973 18.847 -8.514 1.00 64.15 H new ATOM 0 HB2 ALA A 91 -5.899 17.592 -9.177 1.00 64.15 H new ATOM 0 HB3 ALA A 91 -7.649 17.290 -9.052 1.00 64.15 H new ATOM 1054 N PHE A 92 -8.665 16.522 -6.120 1.00 72.03 N ATOM 1055 CA PHE A 92 -9.863 16.690 -5.306 1.00 1.44 C ATOM 1056 C PHE A 92 -9.924 15.636 -4.204 1.00 52.12 C ATOM 1057 O PHE A 92 -10.912 15.542 -3.476 1.00 70.34 O ATOM 1058 CB PHE A 92 -11.116 16.605 -6.179 1.00 70.24 C ATOM 1059 CG PHE A 92 -11.318 17.806 -7.058 1.00 3.53 C ATOM 1060 CD1 PHE A 92 -10.491 18.032 -8.147 1.00 21.44 C ATOM 1061 CD2 PHE A 92 -12.334 18.710 -6.795 1.00 12.51 C ATOM 1062 CE1 PHE A 92 -10.674 19.137 -8.956 1.00 2.02 C ATOM 1063 CE2 PHE A 92 -12.522 19.818 -7.601 1.00 32.51 C ATOM 1064 CZ PHE A 92 -11.691 20.030 -8.683 1.00 55.44 C ATOM 0 H PHE A 92 -8.555 15.590 -6.521 1.00 72.03 H new ATOM 0 HA PHE A 92 -9.820 17.675 -4.841 1.00 1.44 H new ATOM 0 HB2 PHE A 92 -11.054 15.714 -6.804 1.00 70.24 H new ATOM 0 HB3 PHE A 92 -11.989 16.484 -5.537 1.00 70.24 H new ATOM 0 HD1 PHE A 92 -9.694 17.336 -8.366 1.00 21.44 H new ATOM 0 HD2 PHE A 92 -12.987 18.548 -5.950 1.00 12.51 H new ATOM 0 HE1 PHE A 92 -10.022 19.302 -9.801 1.00 2.02 H new ATOM 0 HE2 PHE A 92 -13.317 20.516 -7.384 1.00 32.51 H new ATOM 0 HZ PHE A 92 -11.836 20.893 -9.315 1.00 55.44 H new ATOM 1074 N GLN A 93 -8.862 14.846 -4.090 1.00 5.11 N ATOM 1075 CA GLN A 93 -8.795 13.798 -3.079 1.00 20.24 C ATOM 1076 C GLN A 93 -9.194 14.337 -1.709 1.00 24.23 C ATOM 1077 O GLN A 93 -9.781 13.623 -0.897 1.00 11.33 O ATOM 1078 CB GLN A 93 -7.385 13.208 -3.017 1.00 41.01 C ATOM 1079 CG GLN A 93 -7.127 12.376 -1.771 1.00 52.12 C ATOM 1080 CD GLN A 93 -5.748 11.746 -1.765 1.00 12.31 C ATOM 1081 OE1 GLN A 93 -4.739 12.435 -1.609 1.00 34.25 O ATOM 1082 NE2 GLN A 93 -5.697 10.430 -1.935 1.00 54.31 N ATOM 0 H GLN A 93 -8.036 14.912 -4.685 1.00 5.11 H new ATOM 0 HA GLN A 93 -9.497 13.013 -3.359 1.00 20.24 H new ATOM 0 HB2 GLN A 93 -7.221 12.588 -3.898 1.00 41.01 H new ATOM 0 HB3 GLN A 93 -6.659 14.020 -3.059 1.00 41.01 H new ATOM 0 HG2 GLN A 93 -7.238 13.006 -0.889 1.00 52.12 H new ATOM 0 HG3 GLN A 93 -7.881 11.592 -1.700 1.00 52.12 H new ATOM 0 HE21 GLN A 93 -6.558 9.898 -2.061 1.00 54.31 H new ATOM 0 HE22 GLN A 93 -4.797 9.951 -1.940 1.00 54.31 H new ATOM 1091 N GLY A 94 -8.869 15.602 -1.458 1.00 75.15 N ATOM 1092 CA GLY A 94 -9.201 16.215 -0.186 1.00 32.25 C ATOM 1093 C GLY A 94 -9.787 17.603 -0.346 1.00 13.51 C ATOM 1094 O GLY A 94 -9.189 18.591 0.083 1.00 33.51 O ATOM 0 H GLY A 94 -8.382 16.213 -2.114 1.00 75.15 H new ATOM 0 HA2 GLY A 94 -9.913 15.582 0.344 1.00 32.25 H new ATOM 0 HA3 GLY A 94 -8.304 16.272 0.431 1.00 32.25 H new ATOM 1098 N TYR A 95 -10.959 17.681 -0.967 1.00 11.15 N ATOM 1099 CA TYR A 95 -11.624 18.960 -1.186 1.00 73.24 C ATOM 1100 C TYR A 95 -13.111 18.864 -0.859 1.00 33.21 C ATOM 1101 O TYR A 95 -13.791 17.902 -1.216 1.00 72.42 O ATOM 1102 CB TYR A 95 -11.438 19.413 -2.635 1.00 70.25 C ATOM 1103 CG TYR A 95 -12.179 20.688 -2.971 1.00 64.43 C ATOM 1104 CD1 TYR A 95 -13.523 20.662 -3.322 1.00 23.02 C ATOM 1105 CD2 TYR A 95 -11.534 21.918 -2.937 1.00 41.10 C ATOM 1106 CE1 TYR A 95 -14.203 21.824 -3.630 1.00 42.11 C ATOM 1107 CE2 TYR A 95 -12.206 23.086 -3.242 1.00 74.44 C ATOM 1108 CZ TYR A 95 -13.541 23.033 -3.589 1.00 5.43 C ATOM 1109 OH TYR A 95 -14.215 24.193 -3.894 1.00 2.52 O ATOM 0 H TYR A 95 -11.468 16.874 -1.327 1.00 11.15 H new ATOM 0 HA TYR A 95 -11.171 19.695 -0.521 1.00 73.24 H new ATOM 0 HB2 TYR A 95 -10.375 19.559 -2.828 1.00 70.25 H new ATOM 0 HB3 TYR A 95 -11.777 18.620 -3.301 1.00 70.25 H new ATOM 0 HD1 TYR A 95 -14.045 19.717 -3.355 1.00 23.02 H new ATOM 0 HD2 TYR A 95 -10.489 21.962 -2.667 1.00 41.10 H new ATOM 0 HE1 TYR A 95 -15.248 21.786 -3.902 1.00 42.11 H new ATOM 0 HE2 TYR A 95 -11.690 24.034 -3.209 1.00 74.44 H new ATOM 0 HH TYR A 95 -13.605 24.956 -3.816 1.00 2.52 H new ATOM 1119 N PRO A 96 -13.630 19.886 -0.163 1.00 2.25 N ATOM 1120 CA PRO A 96 -15.042 19.943 0.228 1.00 25.52 C ATOM 1121 C PRO A 96 -15.965 20.159 -0.965 1.00 53.15 C ATOM 1122 O PRO A 96 -16.070 21.269 -1.489 1.00 21.50 O ATOM 1123 CB PRO A 96 -15.100 21.144 1.175 1.00 41.35 C ATOM 1124 CG PRO A 96 -13.955 22.005 0.765 1.00 51.02 C ATOM 1125 CD PRO A 96 -12.878 21.066 0.296 1.00 1.25 C ATOM 0 HA PRO A 96 -15.378 19.010 0.681 1.00 25.52 H new ATOM 0 HB2 PRO A 96 -16.047 21.675 1.083 1.00 41.35 H new ATOM 0 HB3 PRO A 96 -15.009 20.833 2.216 1.00 41.35 H new ATOM 0 HG2 PRO A 96 -14.248 22.691 -0.030 1.00 51.02 H new ATOM 0 HG3 PRO A 96 -13.606 22.614 1.599 1.00 51.02 H new ATOM 0 HD2 PRO A 96 -12.286 21.503 -0.508 1.00 1.25 H new ATOM 0 HD3 PRO A 96 -12.186 20.814 1.100 1.00 1.25 H new ATOM 1133 N PHE A 97 -16.634 19.093 -1.391 1.00 71.33 N ATOM 1134 CA PHE A 97 -17.549 19.166 -2.524 1.00 53.43 C ATOM 1135 C PHE A 97 -18.900 18.550 -2.173 1.00 71.33 C ATOM 1136 O PHE A 97 -18.975 17.589 -1.407 1.00 43.34 O ATOM 1137 CB PHE A 97 -16.950 18.453 -3.738 1.00 53.12 C ATOM 1138 CG PHE A 97 -17.893 18.358 -4.903 1.00 54.23 C ATOM 1139 CD1 PHE A 97 -18.397 19.503 -5.499 1.00 11.41 C ATOM 1140 CD2 PHE A 97 -18.276 17.124 -5.403 1.00 63.14 C ATOM 1141 CE1 PHE A 97 -19.266 19.419 -6.571 1.00 24.34 C ATOM 1142 CE2 PHE A 97 -19.144 17.033 -6.475 1.00 63.03 C ATOM 1143 CZ PHE A 97 -19.638 18.182 -7.060 1.00 54.12 C ATOM 0 H PHE A 97 -16.560 18.168 -0.968 1.00 71.33 H new ATOM 0 HA PHE A 97 -17.702 20.217 -2.768 1.00 53.43 H new ATOM 0 HB2 PHE A 97 -16.050 18.981 -4.052 1.00 53.12 H new ATOM 0 HB3 PHE A 97 -16.645 17.448 -3.445 1.00 53.12 H new ATOM 0 HD1 PHE A 97 -18.107 20.473 -5.122 1.00 11.41 H new ATOM 0 HD2 PHE A 97 -17.892 16.222 -4.950 1.00 63.14 H new ATOM 0 HE1 PHE A 97 -19.653 20.319 -7.025 1.00 24.34 H new ATOM 0 HE2 PHE A 97 -19.435 16.065 -6.854 1.00 63.03 H new ATOM 0 HZ PHE A 97 -20.315 18.114 -7.899 1.00 54.12 H new ATOM 1153 N GLN A 98 -19.964 19.110 -2.739 1.00 35.12 N ATOM 1154 CA GLN A 98 -21.313 18.616 -2.485 1.00 3.13 C ATOM 1155 C GLN A 98 -21.629 18.640 -0.993 1.00 30.00 C ATOM 1156 O GLN A 98 -22.486 17.896 -0.518 1.00 0.11 O ATOM 1157 CB GLN A 98 -21.469 17.195 -3.029 1.00 30.04 C ATOM 1158 CG GLN A 98 -22.516 17.075 -4.124 1.00 61.42 C ATOM 1159 CD GLN A 98 -22.763 15.638 -4.540 1.00 62.22 C ATOM 1160 OE1 GLN A 98 -23.782 15.044 -4.188 1.00 33.10 O ATOM 1161 NE2 GLN A 98 -21.828 15.071 -5.294 1.00 74.32 N ATOM 0 H GLN A 98 -19.919 19.905 -3.376 1.00 35.12 H new ATOM 0 HA GLN A 98 -22.016 19.273 -2.997 1.00 3.13 H new ATOM 0 HB2 GLN A 98 -20.509 16.856 -3.417 1.00 30.04 H new ATOM 0 HB3 GLN A 98 -21.735 16.528 -2.209 1.00 30.04 H new ATOM 0 HG2 GLN A 98 -23.451 17.515 -3.777 1.00 61.42 H new ATOM 0 HG3 GLN A 98 -22.196 17.651 -4.992 1.00 61.42 H new ATOM 0 HE21 GLN A 98 -20.999 15.601 -5.562 1.00 74.32 H new ATOM 0 HE22 GLN A 98 -21.939 14.106 -5.605 1.00 74.32 H new ATOM 1170 N GLY A 99 -20.930 19.500 -0.258 1.00 53.43 N ATOM 1171 CA GLY A 99 -21.151 19.605 1.172 1.00 21.42 C ATOM 1172 C GLY A 99 -19.855 19.630 1.958 1.00 32.04 C ATOM 1173 O GLY A 99 -19.573 20.592 2.671 1.00 44.33 O ATOM 0 H GLY A 99 -20.215 20.126 -0.628 1.00 53.43 H new ATOM 0 HA2 GLY A 99 -21.718 20.511 1.383 1.00 21.42 H new ATOM 0 HA3 GLY A 99 -21.759 18.764 1.506 1.00 21.42 H new ATOM 1177 N ASN A 100 -19.066 18.568 1.830 1.00 12.13 N ATOM 1178 CA ASN A 100 -17.794 18.472 2.537 1.00 60.53 C ATOM 1179 C ASN A 100 -17.114 17.136 2.252 1.00 22.12 C ATOM 1180 O ASN A 100 -15.998 17.077 1.736 1.00 64.11 O ATOM 1181 CB ASN A 100 -18.009 18.636 4.043 1.00 52.45 C ATOM 1182 CG ASN A 100 -17.023 17.824 4.860 1.00 51.41 C ATOM 1183 OD1 ASN A 100 -17.415 16.975 5.660 1.00 25.23 O ATOM 1184 ND2 ASN A 100 -15.736 18.083 4.661 1.00 1.23 N ATOM 0 H ASN A 100 -19.285 17.762 1.244 1.00 12.13 H new ATOM 0 HA ASN A 100 -17.147 19.273 2.180 1.00 60.53 H new ATOM 0 HB2 ASN A 100 -17.916 19.689 4.308 1.00 52.45 H new ATOM 0 HB3 ASN A 100 -19.024 18.332 4.297 1.00 52.45 H new ATOM 0 HD21 ASN A 100 -15.026 17.569 5.182 1.00 1.23 H new ATOM 0 HD22 ASN A 100 -15.458 18.796 3.987 1.00 1.23 H new ATOM 1191 N PRO A 101 -17.801 16.037 2.596 1.00 73.32 N ATOM 1192 CA PRO A 101 -17.284 14.681 2.386 1.00 42.33 C ATOM 1193 C PRO A 101 -17.229 14.304 0.909 1.00 4.33 C ATOM 1194 O PRO A 101 -18.254 14.010 0.294 1.00 15.12 O ATOM 1195 CB PRO A 101 -18.292 13.798 3.126 1.00 45.22 C ATOM 1196 CG PRO A 101 -19.554 14.590 3.135 1.00 23.42 C ATOM 1197 CD PRO A 101 -19.137 16.032 3.215 1.00 12.34 C ATOM 0 HA PRO A 101 -16.260 14.575 2.745 1.00 42.33 H new ATOM 0 HB2 PRO A 101 -18.428 12.842 2.620 1.00 45.22 H new ATOM 0 HB3 PRO A 101 -17.956 13.577 4.139 1.00 45.22 H new ATOM 0 HG2 PRO A 101 -20.139 14.402 2.235 1.00 23.42 H new ATOM 0 HG3 PRO A 101 -20.180 14.317 3.985 1.00 23.42 H new ATOM 0 HD2 PRO A 101 -19.830 16.681 2.680 1.00 12.34 H new ATOM 0 HD3 PRO A 101 -19.103 16.384 4.246 1.00 12.34 H new ATOM 1205 N LEU A 102 -16.026 14.314 0.346 1.00 43.44 N ATOM 1206 CA LEU A 102 -15.837 13.973 -1.060 1.00 25.41 C ATOM 1207 C LEU A 102 -14.740 12.925 -1.223 1.00 31.23 C ATOM 1208 O LEU A 102 -13.595 13.142 -0.825 1.00 73.21 O ATOM 1209 CB LEU A 102 -15.486 15.224 -1.867 1.00 22.03 C ATOM 1210 CG LEU A 102 -14.995 14.986 -3.295 1.00 62.11 C ATOM 1211 CD1 LEU A 102 -16.129 14.477 -4.172 1.00 2.25 C ATOM 1212 CD2 LEU A 102 -14.401 16.262 -3.875 1.00 35.32 C ATOM 0 H LEU A 102 -15.167 14.554 0.841 1.00 43.44 H new ATOM 0 HA LEU A 102 -16.772 13.557 -1.436 1.00 25.41 H new ATOM 0 HB2 LEU A 102 -16.367 15.864 -1.909 1.00 22.03 H new ATOM 0 HB3 LEU A 102 -14.717 15.776 -1.327 1.00 22.03 H new ATOM 0 HG LEU A 102 -14.215 14.225 -3.268 1.00 62.11 H new ATOM 0 HD11 LEU A 102 -15.760 14.313 -5.185 1.00 2.25 H new ATOM 0 HD12 LEU A 102 -16.508 13.538 -3.768 1.00 2.25 H new ATOM 0 HD13 LEU A 102 -16.932 15.214 -4.193 1.00 2.25 H new ATOM 0 HD21 LEU A 102 -14.057 16.074 -4.892 1.00 35.32 H new ATOM 0 HD22 LEU A 102 -15.160 17.044 -3.888 1.00 35.32 H new ATOM 0 HD23 LEU A 102 -13.560 16.584 -3.261 1.00 35.32 H new ATOM 1224 N VAL A 103 -15.098 11.788 -1.812 1.00 45.11 N ATOM 1225 CA VAL A 103 -14.144 10.708 -2.031 1.00 25.50 C ATOM 1226 C VAL A 103 -13.973 10.418 -3.518 1.00 31.20 C ATOM 1227 O VAL A 103 -14.951 10.352 -4.264 1.00 3.12 O ATOM 1228 CB VAL A 103 -14.583 9.417 -1.315 1.00 35.22 C ATOM 1229 CG1 VAL A 103 -15.840 8.851 -1.958 1.00 71.33 C ATOM 1230 CG2 VAL A 103 -13.460 8.391 -1.328 1.00 2.54 C ATOM 0 H VAL A 103 -16.042 11.592 -2.146 1.00 45.11 H new ATOM 0 HA VAL A 103 -13.192 11.039 -1.616 1.00 25.50 H new ATOM 0 HB VAL A 103 -14.811 9.658 -0.277 1.00 35.22 H new ATOM 0 HG11 VAL A 103 -16.135 7.939 -1.439 1.00 71.33 H new ATOM 0 HG12 VAL A 103 -16.644 9.583 -1.891 1.00 71.33 H new ATOM 0 HG13 VAL A 103 -15.642 8.624 -3.006 1.00 71.33 H new ATOM 0 HG21 VAL A 103 -13.788 7.486 -0.818 1.00 2.54 H new ATOM 0 HG22 VAL A 103 -13.198 8.152 -2.359 1.00 2.54 H new ATOM 0 HG23 VAL A 103 -12.588 8.799 -0.817 1.00 2.54 H new ATOM 1240 N ILE A 104 -12.726 10.245 -3.942 1.00 62.12 N ATOM 1241 CA ILE A 104 -12.428 9.960 -5.340 1.00 45.43 C ATOM 1242 C ILE A 104 -11.344 8.895 -5.465 1.00 62.14 C ATOM 1243 O ILE A 104 -10.258 9.027 -4.899 1.00 12.30 O ATOM 1244 CB ILE A 104 -11.974 11.228 -6.088 1.00 72.04 C ATOM 1245 CG1 ILE A 104 -11.239 12.173 -5.136 1.00 43.11 C ATOM 1246 CG2 ILE A 104 -13.170 11.927 -6.719 1.00 25.03 C ATOM 1247 CD1 ILE A 104 -12.157 13.123 -4.399 1.00 44.12 C ATOM 0 H ILE A 104 -11.906 10.297 -3.338 1.00 62.12 H new ATOM 0 HA ILE A 104 -13.350 9.592 -5.791 1.00 45.43 H new ATOM 0 HB ILE A 104 -11.287 10.937 -6.882 1.00 72.04 H new ATOM 0 HG12 ILE A 104 -10.682 11.582 -4.409 1.00 43.11 H new ATOM 0 HG13 ILE A 104 -10.510 12.752 -5.703 1.00 43.11 H new ATOM 0 HG21 ILE A 104 -12.834 12.821 -7.244 1.00 25.03 H new ATOM 0 HG22 ILE A 104 -13.655 11.253 -7.425 1.00 25.03 H new ATOM 0 HG23 ILE A 104 -13.879 12.209 -5.941 1.00 25.03 H new ATOM 0 HD11 ILE A 104 -11.567 13.763 -3.742 1.00 44.12 H new ATOM 0 HD12 ILE A 104 -12.696 13.740 -5.118 1.00 44.12 H new ATOM 0 HD13 ILE A 104 -12.870 12.552 -3.805 1.00 44.12 H new ATOM 1259 N THR A 105 -11.645 7.837 -6.213 1.00 5.50 N ATOM 1260 CA THR A 105 -10.697 6.749 -6.414 1.00 25.12 C ATOM 1261 C THR A 105 -10.822 6.162 -7.815 1.00 32.21 C ATOM 1262 O THR A 105 -11.727 6.519 -8.570 1.00 2.22 O ATOM 1263 CB THR A 105 -10.902 5.627 -5.379 1.00 33.31 C ATOM 1264 OG1 THR A 105 -12.229 5.099 -5.485 1.00 53.45 O ATOM 1265 CG2 THR A 105 -10.668 6.143 -3.967 1.00 70.22 C ATOM 0 H THR A 105 -12.538 7.711 -6.689 1.00 5.50 H new ATOM 0 HA THR A 105 -9.700 7.171 -6.288 1.00 25.12 H new ATOM 0 HB THR A 105 -10.179 4.837 -5.585 1.00 33.31 H new ATOM 0 HG1 THR A 105 -12.351 4.385 -4.825 1.00 53.45 H new ATOM 0 HG21 THR A 105 -10.819 5.333 -3.254 1.00 70.22 H new ATOM 0 HG22 THR A 105 -9.648 6.517 -3.881 1.00 70.22 H new ATOM 0 HG23 THR A 105 -11.370 6.949 -3.753 1.00 70.22 H new ATOM 1273 N PHE A 106 -9.910 5.258 -8.157 1.00 4.41 N ATOM 1274 CA PHE A 106 -9.918 4.621 -9.469 1.00 15.43 C ATOM 1275 C PHE A 106 -10.856 3.417 -9.482 1.00 42.43 C ATOM 1276 O PHE A 106 -11.607 3.191 -8.534 1.00 1.23 O ATOM 1277 CB PHE A 106 -8.504 4.185 -9.857 1.00 52.40 C ATOM 1278 CG PHE A 106 -7.491 5.290 -9.769 1.00 2.52 C ATOM 1279 CD1 PHE A 106 -7.282 6.145 -10.840 1.00 35.53 C ATOM 1280 CD2 PHE A 106 -6.746 5.475 -8.615 1.00 20.20 C ATOM 1281 CE1 PHE A 106 -6.351 7.163 -10.762 1.00 21.33 C ATOM 1282 CE2 PHE A 106 -5.813 6.491 -8.531 1.00 54.31 C ATOM 1283 CZ PHE A 106 -5.615 7.336 -9.606 1.00 63.51 C ATOM 0 H PHE A 106 -9.156 4.950 -7.544 1.00 4.41 H new ATOM 0 HA PHE A 106 -10.278 5.348 -10.197 1.00 15.43 H new ATOM 0 HB2 PHE A 106 -8.194 3.366 -9.208 1.00 52.40 H new ATOM 0 HB3 PHE A 106 -8.519 3.797 -10.875 1.00 52.40 H new ATOM 0 HD1 PHE A 106 -7.854 6.014 -11.747 1.00 35.53 H new ATOM 0 HD2 PHE A 106 -6.896 4.817 -7.772 1.00 20.20 H new ATOM 0 HE1 PHE A 106 -6.199 7.822 -11.604 1.00 21.33 H new ATOM 0 HE2 PHE A 106 -5.239 6.624 -7.626 1.00 54.31 H new ATOM 0 HZ PHE A 106 -4.886 8.130 -9.543 1.00 63.51 H new ATOM 1293 N SER A 107 -10.806 2.648 -10.565 1.00 42.43 N ATOM 1294 CA SER A 107 -11.653 1.470 -10.706 1.00 20.24 C ATOM 1295 C SER A 107 -11.002 0.439 -11.624 1.00 14.35 C ATOM 1296 O SER A 107 -9.879 0.629 -12.089 1.00 54.43 O ATOM 1297 CB SER A 107 -13.025 1.864 -11.255 1.00 12.51 C ATOM 1298 OG SER A 107 -14.037 1.681 -10.280 1.00 21.22 O ATOM 0 H SER A 107 -10.188 2.820 -11.358 1.00 42.43 H new ATOM 0 HA SER A 107 -11.779 1.024 -9.719 1.00 20.24 H new ATOM 0 HB2 SER A 107 -13.007 2.906 -11.573 1.00 12.51 H new ATOM 0 HB3 SER A 107 -13.253 1.265 -12.137 1.00 12.51 H new ATOM 0 HG SER A 107 -14.904 1.942 -10.655 1.00 21.22 H new ATOM 1304 N GLU A 108 -11.717 -0.652 -11.878 1.00 73.22 N ATOM 1305 CA GLU A 108 -11.209 -1.713 -12.740 1.00 33.55 C ATOM 1306 C GLU A 108 -12.096 -1.888 -13.969 1.00 12.30 C ATOM 1307 O GLU A 108 -13.289 -1.583 -13.937 1.00 50.03 O ATOM 1308 CB GLU A 108 -11.125 -3.031 -11.967 1.00 33.52 C ATOM 1309 CG GLU A 108 -10.246 -4.074 -12.636 1.00 21.40 C ATOM 1310 CD GLU A 108 -9.993 -5.279 -11.750 1.00 45.14 C ATOM 1311 OE1 GLU A 108 -9.739 -5.084 -10.543 1.00 71.11 O ATOM 1312 OE2 GLU A 108 -10.047 -6.416 -12.264 1.00 54.31 O ATOM 0 H GLU A 108 -12.648 -0.825 -11.500 1.00 73.22 H new ATOM 0 HA GLU A 108 -10.210 -1.429 -13.072 1.00 33.55 H new ATOM 0 HB2 GLU A 108 -10.741 -2.832 -10.967 1.00 33.52 H new ATOM 0 HB3 GLU A 108 -12.129 -3.437 -11.848 1.00 33.52 H new ATOM 0 HG2 GLU A 108 -10.718 -4.401 -13.562 1.00 21.40 H new ATOM 0 HG3 GLU A 108 -9.293 -3.620 -12.907 1.00 21.40 H new ATOM 1319 N THR A 109 -11.505 -2.380 -15.053 1.00 42.12 N ATOM 1320 CA THR A 109 -12.239 -2.593 -16.294 1.00 30.40 C ATOM 1321 C THR A 109 -12.221 -4.063 -16.698 1.00 21.34 C ATOM 1322 O THR A 109 -11.529 -4.467 -17.632 1.00 45.33 O ATOM 1323 CB THR A 109 -11.657 -1.750 -17.444 1.00 5.23 C ATOM 1324 OG1 THR A 109 -10.285 -2.100 -17.662 1.00 53.30 O ATOM 1325 CG2 THR A 109 -11.763 -0.265 -17.133 1.00 1.53 C ATOM 0 H THR A 109 -10.519 -2.639 -15.097 1.00 42.12 H new ATOM 0 HA THR A 109 -13.267 -2.281 -16.110 1.00 30.40 H new ATOM 0 HB THR A 109 -12.233 -1.958 -18.346 1.00 5.23 H new ATOM 0 HG1 THR A 109 -10.216 -3.063 -17.828 1.00 53.30 H new ATOM 0 HG21 THR A 109 -11.346 0.310 -17.959 1.00 1.53 H new ATOM 0 HG22 THR A 109 -12.810 0.004 -16.996 1.00 1.53 H new ATOM 0 HG23 THR A 109 -11.209 -0.044 -16.221 1.00 1.53 H new ATOM 1333 N PRO A 110 -13.000 -4.885 -15.978 1.00 41.14 N ATOM 1334 CA PRO A 110 -13.091 -6.323 -16.245 1.00 34.53 C ATOM 1335 C PRO A 110 -13.813 -6.626 -17.554 1.00 23.03 C ATOM 1336 O PRO A 110 -14.197 -5.714 -18.285 1.00 72.23 O ATOM 1337 CB PRO A 110 -13.896 -6.854 -15.056 1.00 13.24 C ATOM 1338 CG PRO A 110 -14.699 -5.688 -14.591 1.00 43.31 C ATOM 1339 CD PRO A 110 -13.852 -4.473 -14.850 1.00 43.43 C ATOM 0 HA PRO A 110 -12.107 -6.780 -16.351 1.00 34.53 H new ATOM 0 HB2 PRO A 110 -14.538 -7.684 -15.351 1.00 13.24 H new ATOM 0 HB3 PRO A 110 -13.240 -7.223 -14.267 1.00 13.24 H new ATOM 0 HG2 PRO A 110 -15.645 -5.626 -15.129 1.00 43.31 H new ATOM 0 HG3 PRO A 110 -14.940 -5.777 -13.532 1.00 43.31 H new ATOM 0 HD2 PRO A 110 -14.461 -3.605 -15.103 1.00 43.43 H new ATOM 0 HD3 PRO A 110 -13.259 -4.203 -13.976 1.00 43.43 H new ATOM 1347 N GLN A 111 -13.993 -7.911 -17.841 1.00 61.04 N ATOM 1348 CA GLN A 111 -14.668 -8.332 -19.063 1.00 73.31 C ATOM 1349 C GLN A 111 -13.884 -7.897 -20.297 1.00 20.15 C ATOM 1350 O GLN A 111 -14.453 -7.713 -21.373 1.00 25.13 O ATOM 1351 CB GLN A 111 -16.084 -7.754 -19.114 1.00 24.22 C ATOM 1352 CG GLN A 111 -17.145 -8.776 -19.486 1.00 74.32 C ATOM 1353 CD GLN A 111 -17.711 -9.497 -18.278 1.00 40.23 C ATOM 1354 OE1 GLN A 111 -17.081 -9.550 -17.221 1.00 52.15 O ATOM 1355 NE2 GLN A 111 -18.906 -10.056 -18.428 1.00 62.53 N ATOM 0 H GLN A 111 -13.681 -8.678 -17.245 1.00 61.04 H new ATOM 0 HA GLN A 111 -14.727 -9.420 -19.058 1.00 73.31 H new ATOM 0 HB2 GLN A 111 -16.328 -7.327 -18.141 1.00 24.22 H new ATOM 0 HB3 GLN A 111 -16.109 -6.938 -19.836 1.00 24.22 H new ATOM 0 HG2 GLN A 111 -17.954 -8.276 -20.018 1.00 74.32 H new ATOM 0 HG3 GLN A 111 -16.716 -9.506 -20.172 1.00 74.32 H new ATOM 0 HE21 GLN A 111 -19.393 -9.987 -19.322 1.00 62.53 H new ATOM 0 HE22 GLN A 111 -19.337 -10.554 -17.649 1.00 62.53 H new ATOM 1364 N SER A 112 -12.575 -7.734 -20.132 1.00 51.13 N ATOM 1365 CA SER A 112 -11.713 -7.316 -21.232 1.00 30.13 C ATOM 1366 C SER A 112 -11.129 -8.526 -21.954 1.00 72.24 C ATOM 1367 O SER A 112 -10.947 -8.507 -23.171 1.00 41.43 O ATOM 1368 CB SER A 112 -10.584 -6.425 -20.712 1.00 3.44 C ATOM 1369 OG SER A 112 -9.905 -5.787 -21.779 1.00 42.44 O ATOM 0 H SER A 112 -12.089 -7.885 -19.248 1.00 51.13 H new ATOM 0 HA SER A 112 -12.318 -6.749 -21.940 1.00 30.13 H new ATOM 0 HB2 SER A 112 -10.992 -5.674 -20.035 1.00 3.44 H new ATOM 0 HB3 SER A 112 -9.880 -7.025 -20.135 1.00 3.44 H new ATOM 0 HG SER A 112 -9.189 -5.222 -21.420 1.00 42.44 H new ATOM 1375 N GLN A 113 -10.838 -9.578 -21.195 1.00 14.51 N ATOM 1376 CA GLN A 113 -10.274 -10.797 -21.762 1.00 54.44 C ATOM 1377 C GLN A 113 -11.161 -11.339 -22.878 1.00 55.44 C ATOM 1378 O GLN A 113 -10.685 -12.009 -23.794 1.00 63.21 O ATOM 1379 CB GLN A 113 -10.099 -11.857 -20.674 1.00 64.00 C ATOM 1380 CG GLN A 113 -11.398 -12.246 -19.988 1.00 12.00 C ATOM 1381 CD GLN A 113 -11.706 -13.725 -20.117 1.00 11.24 C ATOM 1382 OE1 GLN A 113 -10.801 -14.550 -20.243 1.00 33.42 O ATOM 1383 NE2 GLN A 113 -12.989 -14.068 -20.085 1.00 4.41 N ATOM 0 H GLN A 113 -10.984 -9.610 -20.186 1.00 14.51 H new ATOM 0 HA GLN A 113 -9.298 -10.554 -22.183 1.00 54.44 H new ATOM 0 HB2 GLN A 113 -9.650 -12.747 -21.115 1.00 64.00 H new ATOM 0 HB3 GLN A 113 -9.400 -11.485 -19.925 1.00 64.00 H new ATOM 0 HG2 GLN A 113 -11.340 -11.982 -18.932 1.00 12.00 H new ATOM 0 HG3 GLN A 113 -12.218 -11.669 -20.417 1.00 12.00 H new ATOM 0 HE21 GLN A 113 -13.706 -13.351 -19.979 1.00 4.41 H new ATOM 0 HE22 GLN A 113 -13.257 -15.049 -20.166 1.00 4.41 H new ATOM 1392 N VAL A 114 -12.455 -11.044 -22.795 1.00 50.15 N ATOM 1393 CA VAL A 114 -13.409 -11.501 -23.799 1.00 11.12 C ATOM 1394 C VAL A 114 -12.951 -11.127 -25.204 1.00 4.22 C ATOM 1395 O VAL A 114 -13.261 -11.818 -26.174 1.00 15.54 O ATOM 1396 CB VAL A 114 -14.809 -10.908 -23.553 1.00 34.42 C ATOM 1397 CG1 VAL A 114 -15.305 -11.269 -22.161 1.00 1.04 C ATOM 1398 CG2 VAL A 114 -14.791 -9.400 -23.747 1.00 4.31 C ATOM 0 H VAL A 114 -12.866 -10.491 -22.043 1.00 50.15 H new ATOM 0 HA VAL A 114 -13.461 -12.586 -23.714 1.00 11.12 H new ATOM 0 HB VAL A 114 -15.498 -11.336 -24.281 1.00 34.42 H new ATOM 0 HG11 VAL A 114 -16.295 -10.841 -22.005 1.00 1.04 H new ATOM 0 HG12 VAL A 114 -15.359 -12.353 -22.064 1.00 1.04 H new ATOM 0 HG13 VAL A 114 -14.617 -10.871 -21.415 1.00 1.04 H new ATOM 0 HG21 VAL A 114 -15.789 -8.998 -23.569 1.00 4.31 H new ATOM 0 HG22 VAL A 114 -14.089 -8.951 -23.045 1.00 4.31 H new ATOM 0 HG23 VAL A 114 -14.483 -9.168 -24.766 1.00 4.31 H new ATOM 1408 N ALA A 115 -12.209 -10.029 -25.305 1.00 42.24 N ATOM 1409 CA ALA A 115 -11.705 -9.564 -26.592 1.00 2.23 C ATOM 1410 C ALA A 115 -10.848 -10.631 -27.264 1.00 73.31 C ATOM 1411 O ALA A 115 -10.804 -10.722 -28.490 1.00 75.44 O ATOM 1412 CB ALA A 115 -10.908 -8.280 -26.413 1.00 41.03 C ATOM 0 H ALA A 115 -11.944 -9.445 -24.512 1.00 42.24 H new ATOM 0 HA ALA A 115 -12.560 -9.362 -27.238 1.00 2.23 H new ATOM 0 HB1 ALA A 115 -10.538 -7.944 -27.381 1.00 41.03 H new ATOM 0 HB2 ALA A 115 -11.549 -7.511 -25.983 1.00 41.03 H new ATOM 0 HB3 ALA A 115 -10.066 -8.465 -25.746 1.00 41.03 H new ATOM 1418 N GLU A 116 -10.169 -11.436 -26.453 1.00 3.11 N ATOM 1419 CA GLU A 116 -9.312 -12.496 -26.971 1.00 51.03 C ATOM 1420 C GLU A 116 -10.126 -13.513 -27.766 1.00 62.04 C ATOM 1421 O GLU A 116 -9.634 -14.099 -28.731 1.00 35.51 O ATOM 1422 CB GLU A 116 -8.580 -13.196 -25.825 1.00 65.51 C ATOM 1423 CG GLU A 116 -7.317 -13.920 -26.262 1.00 21.21 C ATOM 1424 CD GLU A 116 -6.359 -14.167 -25.113 1.00 21.32 C ATOM 1425 OE1 GLU A 116 -6.646 -15.055 -24.282 1.00 51.22 O ATOM 1426 OE2 GLU A 116 -5.323 -13.474 -25.044 1.00 0.34 O ATOM 0 H GLU A 116 -10.196 -11.374 -25.435 1.00 3.11 H new ATOM 0 HA GLU A 116 -8.578 -12.042 -27.637 1.00 51.03 H new ATOM 0 HB2 GLU A 116 -8.321 -12.458 -25.066 1.00 65.51 H new ATOM 0 HB3 GLU A 116 -9.256 -13.912 -25.357 1.00 65.51 H new ATOM 0 HG2 GLU A 116 -7.588 -14.873 -26.716 1.00 21.21 H new ATOM 0 HG3 GLU A 116 -6.814 -13.333 -27.030 1.00 21.21 H new ATOM 1433 N ASP A 117 -11.372 -13.717 -27.354 1.00 10.10 N ATOM 1434 CA ASP A 117 -12.255 -14.662 -28.027 1.00 31.40 C ATOM 1435 C ASP A 117 -13.343 -13.930 -28.806 1.00 13.23 C ATOM 1436 O ASP A 117 -13.098 -13.413 -29.897 1.00 15.13 O ATOM 1437 CB ASP A 117 -12.890 -15.613 -27.010 1.00 41.54 C ATOM 1438 CG ASP A 117 -11.876 -16.546 -26.379 1.00 31.21 C ATOM 1439 OD1 ASP A 117 -10.858 -16.049 -25.853 1.00 62.14 O ATOM 1440 OD2 ASP A 117 -12.101 -17.774 -26.409 1.00 53.14 O ATOM 0 H ASP A 117 -11.794 -13.240 -26.557 1.00 10.10 H new ATOM 0 HA ASP A 117 -11.657 -15.241 -28.731 1.00 31.40 H new ATOM 0 HB2 ASP A 117 -13.379 -15.031 -26.229 1.00 41.54 H new ATOM 0 HB3 ASP A 117 -13.665 -16.202 -27.502 1.00 41.54 H new TER 1445 ASP A 117