USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 714 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 82 MET CE :methyl -154:sc= -0.442 (180deg=-2.71!) USER MOD Set 1.2: A 96 MET CE :methyl 179:sc= -0.981 (180deg=-0.88) USER MOD Set 2.1: A 63 CYS SG : rot 180:sc= 1.06 USER MOD Set 2.2: A 90 CYS SG : rot -17:sc= 1.38 USER MOD Set 3.1: A 75 ASN : amide:sc=-0.00218 K(o=0.0079,f=-8.6!) USER MOD Set 3.2: A 78 SER OG : rot -157:sc= 0.0101 USER MOD Set 4.1: A 32 THR OG1 : rot 119:sc= 0.777 USER MOD Set 4.2: A 50 THR OG1 : rot 180:sc= 0.684 USER MOD Single : A 26 GLN : amide:sc= -2.77! K(o=-2.8!,f=-0.16) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.3!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -164:sc= 0 (180deg=-0.0269) USER MOD Single : A 46 THR OG1 : rot 95:sc= 0.213 USER MOD Single : A 52 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.02) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00582 USER MOD Single : A 56 SER OG : rot 136:sc= 0.535 USER MOD Single : A 58 GLN : amide:sc= -0.914 K(o=-0.91,f=-3.1!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0209 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 169:sc= 0 (180deg=-0.163) USER MOD Single : A 76 THR OG1 : rot -150:sc= 0.175 USER MOD Single : A 83 ASN : amide:sc= 0.387 K(o=0.39,f=-3.7!) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.034 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.0763 X(o=-0.076,f=-0.053) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.015) USER MOD Single : A 108 GLN : amide:sc= -0.12 X(o=-0.12,f=-0.55) USER MOD Single : A 109 GLN : amide:sc= 0.273 X(o=0.27,f=-0.024) USER MOD Single : A 112 ASN : amide:sc= 0.0974 K(o=0.097,f=-5!) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.21) USER MOD Single : A 120 MET CE :methyl -172:sc= -1.02 (180deg=-1.36) USER MOD Single : A 121 SER OG : rot 180:sc= 0.0017 USER MOD ----------------------------------------------------------------- ATOM 8 N GLN A 26 -8.331 -13.426 -10.868 1.00 0.00 N ATOM 9 CA GLN A 26 -8.632 -13.732 -9.473 1.00 0.00 C ATOM 10 C GLN A 26 -8.143 -15.128 -9.094 1.00 0.00 C ATOM 11 O GLN A 26 -8.608 -16.143 -9.604 1.00 0.00 O ATOM 12 CB GLN A 26 -10.094 -13.448 -9.078 1.00 0.00 C ATOM 13 CG GLN A 26 -10.633 -14.227 -7.858 1.00 0.00 C ATOM 14 CD GLN A 26 -9.945 -14.040 -6.498 1.00 0.00 C ATOM 15 OE1 GLN A 26 -10.436 -14.532 -5.486 1.00 0.00 O ATOM 16 NE2 GLN A 26 -8.840 -13.327 -6.344 1.00 0.00 N ATOM 0 HA GLN A 26 -8.062 -13.030 -8.864 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -10.193 -12.382 -8.875 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.730 -13.670 -9.935 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.683 -13.963 -7.736 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.598 -15.289 -8.102 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.393 -12.897 -7.154 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.435 -13.207 -5.415 1.00 0.00 H new ATOM 25 N GLU A 27 -7.197 -15.164 -8.164 1.00 0.00 N ATOM 26 CA GLU A 27 -6.558 -16.378 -7.691 1.00 0.00 C ATOM 27 C GLU A 27 -6.053 -16.219 -6.258 1.00 0.00 C ATOM 28 O GLU A 27 -5.060 -16.843 -5.870 1.00 0.00 O ATOM 29 CB GLU A 27 -5.432 -16.731 -8.659 1.00 0.00 C ATOM 30 CG GLU A 27 -4.476 -15.566 -8.985 1.00 0.00 C ATOM 31 CD GLU A 27 -3.474 -16.085 -10.008 1.00 0.00 C ATOM 32 OE1 GLU A 27 -2.683 -16.989 -9.627 1.00 0.00 O ATOM 33 OE2 GLU A 27 -3.594 -15.748 -11.200 1.00 0.00 O ATOM 0 H GLU A 27 -6.845 -14.323 -7.707 1.00 0.00 H new ATOM 0 HA GLU A 27 -7.280 -17.194 -7.666 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -4.852 -17.552 -8.237 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.870 -17.095 -9.588 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.028 -14.714 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.966 -15.223 -8.085 1.00 0.00 H new ATOM 41 N LEU A 28 -6.694 -15.344 -5.484 1.00 0.00 N ATOM 42 CA LEU A 28 -6.376 -15.139 -4.085 1.00 0.00 C ATOM 43 C LEU A 28 -7.566 -14.449 -3.395 1.00 0.00 C ATOM 44 O LEU A 28 -7.849 -13.293 -3.718 1.00 0.00 O ATOM 45 CB LEU A 28 -5.056 -14.340 -3.973 1.00 0.00 C ATOM 46 CG LEU A 28 -3.899 -15.090 -3.285 1.00 0.00 C ATOM 47 CD1 LEU A 28 -2.702 -14.166 -3.032 1.00 0.00 C ATOM 48 CD2 LEU A 28 -4.349 -15.654 -1.947 1.00 0.00 C ATOM 0 H LEU A 28 -7.455 -14.755 -5.821 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.215 -16.088 -3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.737 -14.051 -4.975 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.251 -13.420 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.601 -15.895 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.905 -14.728 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.340 -13.771 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.009 -13.341 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.519 -16.180 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.676 -14.840 -1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.175 -16.347 -2.104 1.00 0.00 H new ATOM 60 N PRO A 29 -8.335 -15.137 -2.529 1.00 0.00 N ATOM 61 CA PRO A 29 -9.574 -14.606 -1.958 1.00 0.00 C ATOM 62 C PRO A 29 -9.288 -13.588 -0.835 1.00 0.00 C ATOM 63 O PRO A 29 -8.293 -13.773 -0.135 1.00 0.00 O ATOM 64 CB PRO A 29 -10.316 -15.830 -1.416 1.00 0.00 C ATOM 65 CG PRO A 29 -9.203 -16.826 -1.080 1.00 0.00 C ATOM 66 CD PRO A 29 -8.117 -16.509 -2.101 1.00 0.00 C ATOM 0 HA PRO A 29 -10.161 -14.067 -2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -10.906 -15.580 -0.534 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -11.005 -16.238 -2.156 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.844 -16.696 -0.059 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -9.547 -17.856 -1.168 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.126 -16.625 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -8.171 -17.192 -2.949 1.00 0.00 H new ATOM 74 N PRO A 30 -10.154 -12.574 -0.616 1.00 0.00 N ATOM 75 CA PRO A 30 -9.973 -11.450 0.314 1.00 0.00 C ATOM 76 C PRO A 30 -9.895 -11.883 1.791 1.00 0.00 C ATOM 77 O PRO A 30 -10.304 -12.999 2.125 1.00 0.00 O ATOM 78 CB PRO A 30 -11.112 -10.472 0.014 1.00 0.00 C ATOM 79 CG PRO A 30 -12.199 -11.329 -0.627 1.00 0.00 C ATOM 80 CD PRO A 30 -11.444 -12.482 -1.265 1.00 0.00 C ATOM 0 HA PRO A 30 -9.007 -10.969 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.472 -9.992 0.924 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.786 -9.678 -0.658 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -12.914 -11.684 0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.764 -10.765 -1.369 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.998 -13.413 -1.149 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.323 -12.315 -2.335 1.00 0.00 H new ATOM 88 N GLY A 31 -9.376 -11.035 2.687 1.00 0.00 N ATOM 89 CA GLY A 31 -8.930 -11.484 4.014 1.00 0.00 C ATOM 90 C GLY A 31 -8.030 -10.473 4.735 1.00 0.00 C ATOM 91 O GLY A 31 -8.187 -9.266 4.543 1.00 0.00 O ATOM 0 H GLY A 31 -9.254 -10.036 2.519 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.804 -11.685 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.391 -12.426 3.907 1.00 0.00 H new ATOM 95 N THR A 32 -7.117 -10.931 5.605 1.00 0.00 N ATOM 96 CA THR A 32 -6.045 -10.108 6.177 1.00 0.00 C ATOM 97 C THR A 32 -4.760 -10.944 6.275 1.00 0.00 C ATOM 98 O THR A 32 -4.847 -12.138 6.572 1.00 0.00 O ATOM 99 CB THR A 32 -6.510 -9.488 7.512 1.00 0.00 C ATOM 100 OG1 THR A 32 -5.661 -8.437 7.910 1.00 0.00 O ATOM 101 CG2 THR A 32 -6.590 -10.482 8.668 1.00 0.00 C ATOM 0 H THR A 32 -7.104 -11.896 5.934 1.00 0.00 H new ATOM 0 HA THR A 32 -5.811 -9.263 5.530 1.00 0.00 H new ATOM 0 HB THR A 32 -7.517 -9.126 7.305 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.175 -7.605 7.966 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.924 -9.967 9.569 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.297 -11.273 8.419 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.606 -10.917 8.843 1.00 0.00 H new ATOM 109 N TYR A 33 -3.590 -10.375 5.951 1.00 0.00 N ATOM 110 CA TYR A 33 -2.295 -11.061 5.992 1.00 0.00 C ATOM 111 C TYR A 33 -1.323 -10.258 6.856 1.00 0.00 C ATOM 112 O TYR A 33 -1.259 -9.035 6.738 1.00 0.00 O ATOM 113 CB TYR A 33 -1.708 -11.340 4.588 1.00 0.00 C ATOM 114 CG TYR A 33 -2.055 -10.404 3.435 1.00 0.00 C ATOM 115 CD1 TYR A 33 -1.662 -9.050 3.412 1.00 0.00 C ATOM 116 CD2 TYR A 33 -2.734 -10.920 2.317 1.00 0.00 C ATOM 117 CE1 TYR A 33 -2.075 -8.202 2.371 1.00 0.00 C ATOM 118 CE2 TYR A 33 -3.082 -10.094 1.231 1.00 0.00 C ATOM 119 CZ TYR A 33 -2.765 -8.721 1.265 1.00 0.00 C ATOM 120 OH TYR A 33 -3.043 -7.886 0.227 1.00 0.00 O ATOM 0 H TYR A 33 -3.518 -9.404 5.647 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.454 -12.042 6.439 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.622 -11.354 4.684 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.015 -12.345 4.298 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.037 -8.661 4.203 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.993 -11.968 2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.860 -7.145 2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.590 -10.511 0.374 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.523 -8.379 -0.470 1.00 0.00 H new ATOM 130 N ARG A 34 -0.551 -10.917 7.730 1.00 0.00 N ATOM 131 CA ARG A 34 0.584 -10.329 8.424 1.00 0.00 C ATOM 132 C ARG A 34 1.731 -10.386 7.431 1.00 0.00 C ATOM 133 O ARG A 34 2.005 -11.483 6.952 1.00 0.00 O ATOM 134 CB ARG A 34 0.892 -11.153 9.691 1.00 0.00 C ATOM 135 CG ARG A 34 1.829 -10.451 10.679 1.00 0.00 C ATOM 136 CD ARG A 34 3.298 -10.339 10.231 1.00 0.00 C ATOM 137 NE ARG A 34 4.214 -11.287 10.882 1.00 0.00 N ATOM 138 CZ ARG A 34 4.561 -11.329 12.172 1.00 0.00 C ATOM 139 NH1 ARG A 34 4.056 -10.489 13.061 1.00 0.00 N ATOM 140 NH2 ARG A 34 5.435 -12.239 12.573 1.00 0.00 N ATOM 0 H ARG A 34 -0.708 -11.895 7.974 1.00 0.00 H new ATOM 0 HA ARG A 34 0.401 -9.305 8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -0.045 -11.385 10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.338 -12.102 9.395 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.446 -9.448 10.866 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.796 -10.987 11.628 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.347 -10.490 9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.647 -9.325 10.427 1.00 0.00 H new ATOM 0 HE ARG A 34 4.633 -11.995 10.279 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.381 -9.783 12.769 1.00 0.00 H new ATOM 0 HH12 ARG A 34 4.342 -10.548 14.038 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.833 -12.895 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.710 -12.284 13.554 1.00 0.00 H new ATOM 154 N VAL A 35 2.396 -9.270 7.145 1.00 0.00 N ATOM 155 CA VAL A 35 3.538 -9.159 6.230 1.00 0.00 C ATOM 156 C VAL A 35 4.308 -7.879 6.538 1.00 0.00 C ATOM 157 O VAL A 35 3.890 -7.118 7.408 1.00 0.00 O ATOM 158 CB VAL A 35 3.050 -9.203 4.761 1.00 0.00 C ATOM 159 CG1 VAL A 35 2.669 -10.611 4.305 1.00 0.00 C ATOM 160 CG2 VAL A 35 1.869 -8.251 4.494 1.00 0.00 C ATOM 0 H VAL A 35 2.145 -8.374 7.562 1.00 0.00 H new ATOM 0 HA VAL A 35 4.213 -10.003 6.371 1.00 0.00 H new ATOM 0 HB VAL A 35 3.907 -8.867 4.178 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.335 -10.580 3.268 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.536 -11.267 4.387 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.865 -10.992 4.934 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.571 -8.326 3.448 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.029 -8.526 5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.171 -7.227 4.713 1.00 0.00 H new ATOM 170 N ASP A 36 5.408 -7.626 5.831 1.00 0.00 N ATOM 171 CA ASP A 36 6.160 -6.378 5.925 1.00 0.00 C ATOM 172 C ASP A 36 5.744 -5.524 4.732 1.00 0.00 C ATOM 173 O ASP A 36 5.872 -5.978 3.593 1.00 0.00 O ATOM 174 CB ASP A 36 7.694 -6.550 5.943 1.00 0.00 C ATOM 175 CG ASP A 36 8.269 -7.926 6.267 1.00 0.00 C ATOM 176 OD1 ASP A 36 8.154 -8.366 7.431 1.00 0.00 O ATOM 177 OD2 ASP A 36 8.852 -8.581 5.366 1.00 0.00 O ATOM 0 H ASP A 36 5.806 -8.291 5.168 1.00 0.00 H new ATOM 0 HA ASP A 36 5.924 -5.913 6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 36 8.072 -6.255 4.964 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.098 -5.843 6.667 1.00 0.00 H new ATOM 183 N ILE A 37 5.207 -4.326 4.969 1.00 0.00 N ATOM 184 CA ILE A 37 4.905 -3.338 3.939 1.00 0.00 C ATOM 185 C ILE A 37 6.238 -2.719 3.516 1.00 0.00 C ATOM 186 O ILE A 37 6.929 -2.093 4.323 1.00 0.00 O ATOM 187 CB ILE A 37 3.874 -2.293 4.441 1.00 0.00 C ATOM 188 CG1 ILE A 37 2.516 -2.910 4.846 1.00 0.00 C ATOM 189 CG2 ILE A 37 3.619 -1.209 3.375 1.00 0.00 C ATOM 190 CD1 ILE A 37 1.951 -2.316 6.149 1.00 0.00 C ATOM 0 H ILE A 37 4.965 -4.011 5.908 1.00 0.00 H new ATOM 0 HA ILE A 37 4.429 -3.799 3.073 1.00 0.00 H new ATOM 0 HB ILE A 37 4.323 -1.855 5.333 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.798 -2.755 4.041 1.00 0.00 H new ATOM 0 HG13 ILE A 37 2.633 -3.987 4.965 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.893 -0.490 3.754 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.553 -0.695 3.148 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.231 -1.674 2.469 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.997 -2.789 6.381 1.00 0.00 H new ATOM 0 HD12 ILE A 37 2.652 -2.495 6.964 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.804 -1.243 6.026 1.00 0.00 H new ATOM 202 N TYR A 38 6.602 -2.902 2.249 1.00 0.00 N ATOM 203 CA TYR A 38 7.918 -2.606 1.706 1.00 0.00 C ATOM 204 C TYR A 38 7.745 -1.538 0.642 1.00 0.00 C ATOM 205 O TYR A 38 7.485 -1.867 -0.507 1.00 0.00 O ATOM 206 CB TYR A 38 8.530 -3.906 1.138 1.00 0.00 C ATOM 207 CG TYR A 38 9.733 -4.400 1.896 1.00 0.00 C ATOM 208 CD1 TYR A 38 10.974 -3.814 1.629 1.00 0.00 C ATOM 209 CD2 TYR A 38 9.629 -5.443 2.829 1.00 0.00 C ATOM 210 CE1 TYR A 38 12.125 -4.249 2.299 1.00 0.00 C ATOM 211 CE2 TYR A 38 10.776 -5.907 3.499 1.00 0.00 C ATOM 212 CZ TYR A 38 12.029 -5.304 3.234 1.00 0.00 C ATOM 213 OH TYR A 38 13.152 -5.689 3.893 1.00 0.00 O ATOM 0 H TYR A 38 5.961 -3.275 1.549 1.00 0.00 H new ATOM 0 HA TYR A 38 8.601 -2.232 2.469 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.768 -4.685 1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 38 8.812 -3.738 0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.046 -3.020 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.667 -5.890 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.078 -3.781 2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.701 -6.717 4.210 1.00 0.00 H new ATOM 0 HH TYR A 38 12.937 -6.424 4.505 1.00 0.00 H new ATOM 223 N LEU A 39 7.831 -0.248 0.989 1.00 0.00 N ATOM 224 CA LEU A 39 7.815 0.788 -0.040 1.00 0.00 C ATOM 225 C LEU A 39 9.208 0.844 -0.611 1.00 0.00 C ATOM 226 O LEU A 39 10.147 0.941 0.173 1.00 0.00 O ATOM 227 CB LEU A 39 7.498 2.179 0.527 1.00 0.00 C ATOM 228 CG LEU A 39 7.069 3.169 -0.558 1.00 0.00 C ATOM 229 CD1 LEU A 39 5.654 2.849 -1.044 1.00 0.00 C ATOM 230 CD2 LEU A 39 7.059 4.573 0.024 1.00 0.00 C ATOM 0 H LEU A 39 7.910 0.093 1.947 1.00 0.00 H new ATOM 0 HA LEU A 39 7.046 0.542 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.705 2.093 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.377 2.567 1.042 1.00 0.00 H new ATOM 0 HG LEU A 39 7.769 3.096 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.364 3.562 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.630 1.840 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.958 2.916 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.754 5.283 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.358 4.616 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 39 8.058 4.828 0.377 1.00 0.00 H new ATOM 242 N ASN A 40 9.346 0.831 -1.936 1.00 0.00 N ATOM 243 CA ASN A 40 10.605 1.165 -2.607 1.00 0.00 C ATOM 244 C ASN A 40 11.779 0.368 -2.047 1.00 0.00 C ATOM 245 O ASN A 40 12.896 0.877 -1.991 1.00 0.00 O ATOM 246 CB ASN A 40 10.850 2.694 -2.553 1.00 0.00 C ATOM 247 CG ASN A 40 9.767 3.533 -3.202 1.00 0.00 C ATOM 248 OD1 ASN A 40 8.935 3.057 -3.971 1.00 0.00 O ATOM 249 ND2 ASN A 40 9.701 4.808 -2.858 1.00 0.00 N ATOM 0 H ASN A 40 8.589 0.589 -2.576 1.00 0.00 H new ATOM 0 HA ASN A 40 10.522 0.877 -3.655 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.948 2.996 -1.510 1.00 0.00 H new ATOM 0 HB3 ASN A 40 11.801 2.913 -3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 40 8.958 5.399 -3.231 1.00 0.00 H new ATOM 0 HD22 ASN A 40 10.393 5.200 -2.220 1.00 0.00 H new ATOM 256 N ASN A 41 11.530 -0.890 -1.661 1.00 0.00 N ATOM 257 CA ASN A 41 12.520 -1.813 -1.117 1.00 0.00 C ATOM 258 C ASN A 41 13.014 -1.397 0.285 1.00 0.00 C ATOM 259 O ASN A 41 14.140 -1.744 0.644 1.00 0.00 O ATOM 260 CB ASN A 41 13.671 -2.039 -2.118 1.00 0.00 C ATOM 261 CG ASN A 41 13.209 -2.360 -3.533 1.00 0.00 C ATOM 262 OD1 ASN A 41 12.513 -3.348 -3.759 1.00 0.00 O ATOM 263 ND2 ASN A 41 13.546 -1.528 -4.513 1.00 0.00 N ATOM 0 H ASN A 41 10.599 -1.302 -1.723 1.00 0.00 H new ATOM 0 HA ASN A 41 12.027 -2.774 -0.972 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.296 -1.146 -2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.297 -2.855 -1.757 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.227 -1.706 -5.465 1.00 0.00 H new ATOM 0 HD22 ASN A 41 14.124 -0.712 -4.313 1.00 0.00 H new ATOM 270 N GLY A 42 12.204 -0.686 1.091 1.00 0.00 N ATOM 271 CA GLY A 42 12.675 0.057 2.260 1.00 0.00 C ATOM 272 C GLY A 42 11.983 -0.215 3.601 1.00 0.00 C ATOM 273 O GLY A 42 12.195 0.602 4.491 1.00 0.00 O ATOM 0 H GLY A 42 11.197 -0.615 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.738 -0.149 2.383 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.580 1.121 2.043 1.00 0.00 H new ATOM 277 N TYR A 43 11.192 -1.293 3.755 1.00 0.00 N ATOM 278 CA TYR A 43 10.504 -1.759 4.984 1.00 0.00 C ATOM 279 C TYR A 43 9.965 -0.630 5.889 1.00 0.00 C ATOM 280 O TYR A 43 10.689 -0.038 6.693 1.00 0.00 O ATOM 281 CB TYR A 43 11.421 -2.723 5.763 1.00 0.00 C ATOM 282 CG TYR A 43 11.053 -3.000 7.216 1.00 0.00 C ATOM 283 CD1 TYR A 43 9.708 -3.163 7.619 1.00 0.00 C ATOM 284 CD2 TYR A 43 12.075 -3.053 8.184 1.00 0.00 C ATOM 285 CE1 TYR A 43 9.391 -3.309 8.980 1.00 0.00 C ATOM 286 CE2 TYR A 43 11.761 -3.259 9.540 1.00 0.00 C ATOM 287 CZ TYR A 43 10.416 -3.376 9.946 1.00 0.00 C ATOM 288 OH TYR A 43 10.127 -3.527 11.266 1.00 0.00 O ATOM 0 H TYR A 43 10.999 -1.911 2.967 1.00 0.00 H new ATOM 0 HA TYR A 43 9.610 -2.288 4.653 1.00 0.00 H new ATOM 0 HB2 TYR A 43 11.443 -3.674 5.231 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.434 -2.321 5.740 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.922 -3.175 6.879 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.106 -2.935 7.884 1.00 0.00 H new ATOM 0 HE1 TYR A 43 8.358 -3.370 9.288 1.00 0.00 H new ATOM 0 HE2 TYR A 43 12.552 -3.328 10.272 1.00 0.00 H new ATOM 0 HH TYR A 43 10.960 -3.554 11.782 1.00 0.00 H new ATOM 298 N MET A 44 8.657 -0.383 5.786 1.00 0.00 N ATOM 299 CA MET A 44 7.991 0.786 6.357 1.00 0.00 C ATOM 300 C MET A 44 7.260 0.431 7.653 1.00 0.00 C ATOM 301 O MET A 44 7.230 1.250 8.577 1.00 0.00 O ATOM 302 CB MET A 44 7.005 1.383 5.326 1.00 0.00 C ATOM 303 CG MET A 44 7.562 1.399 3.898 1.00 0.00 C ATOM 304 SD MET A 44 9.247 2.016 3.670 1.00 0.00 S ATOM 305 CE MET A 44 9.088 3.656 4.417 1.00 0.00 C ATOM 0 H MET A 44 8.018 -1.006 5.291 1.00 0.00 H new ATOM 0 HA MET A 44 8.750 1.529 6.599 1.00 0.00 H new ATOM 0 HB2 MET A 44 6.080 0.807 5.342 1.00 0.00 H new ATOM 0 HB3 MET A 44 6.752 2.401 5.622 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.520 0.382 3.508 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.896 2.004 3.283 1.00 0.00 H new ATOM 0 HE1 MET A 44 9.933 4.276 4.117 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.160 4.120 4.082 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.075 3.562 5.503 1.00 0.00 H new ATOM 315 N ALA A 45 6.638 -0.752 7.710 1.00 0.00 N ATOM 316 CA ALA A 45 5.880 -1.277 8.840 1.00 0.00 C ATOM 317 C ALA A 45 5.685 -2.785 8.654 1.00 0.00 C ATOM 318 O ALA A 45 5.764 -3.268 7.522 1.00 0.00 O ATOM 319 CB ALA A 45 4.510 -0.580 8.895 1.00 0.00 C ATOM 0 H ALA A 45 6.654 -1.401 6.923 1.00 0.00 H new ATOM 0 HA ALA A 45 6.418 -1.092 9.770 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.938 -0.968 9.738 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.653 0.494 9.017 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.967 -0.771 7.969 1.00 0.00 H new ATOM 325 N THR A 46 5.352 -3.500 9.730 1.00 0.00 N ATOM 326 CA THR A 46 5.052 -4.928 9.723 1.00 0.00 C ATOM 327 C THR A 46 3.849 -5.193 10.616 1.00 0.00 C ATOM 328 O THR A 46 3.919 -5.129 11.848 1.00 0.00 O ATOM 329 CB THR A 46 6.267 -5.768 10.132 1.00 0.00 C ATOM 330 OG1 THR A 46 7.250 -5.594 9.146 1.00 0.00 O ATOM 331 CG2 THR A 46 5.915 -7.259 10.220 1.00 0.00 C ATOM 0 H THR A 46 5.282 -3.085 10.659 1.00 0.00 H new ATOM 0 HA THR A 46 4.806 -5.232 8.706 1.00 0.00 H new ATOM 0 HB THR A 46 6.613 -5.446 11.114 1.00 0.00 H new ATOM 0 HG1 THR A 46 7.866 -4.883 9.420 1.00 0.00 H new ATOM 0 HG21 THR A 46 6.799 -7.825 10.512 1.00 0.00 H new ATOM 0 HG22 THR A 46 5.130 -7.404 10.962 1.00 0.00 H new ATOM 0 HG23 THR A 46 5.565 -7.608 9.248 1.00 0.00 H new ATOM 339 N ARG A 47 2.725 -5.489 9.982 1.00 0.00 N ATOM 340 CA ARG A 47 1.435 -5.703 10.610 1.00 0.00 C ATOM 341 C ARG A 47 0.566 -6.604 9.750 1.00 0.00 C ATOM 342 O ARG A 47 0.923 -6.993 8.635 1.00 0.00 O ATOM 343 CB ARG A 47 0.739 -4.361 10.929 1.00 0.00 C ATOM 344 CG ARG A 47 1.071 -3.146 10.030 1.00 0.00 C ATOM 345 CD ARG A 47 -0.144 -2.274 9.692 1.00 0.00 C ATOM 346 NE ARG A 47 -0.788 -1.659 10.870 1.00 0.00 N ATOM 347 CZ ARG A 47 -1.904 -2.079 11.486 1.00 0.00 C ATOM 348 NH1 ARG A 47 -2.540 -3.179 11.098 1.00 0.00 N ATOM 349 NH2 ARG A 47 -2.375 -1.393 12.511 1.00 0.00 N ATOM 0 H ARG A 47 2.688 -5.591 8.968 1.00 0.00 H new ATOM 0 HA ARG A 47 1.595 -6.210 11.561 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -0.338 -4.524 10.888 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.982 -4.093 11.957 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.820 -2.531 10.529 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.519 -3.504 9.103 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.167 -1.485 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.879 -2.882 9.165 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.338 -0.829 11.256 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -2.182 -3.726 10.315 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -3.386 -3.477 11.583 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.891 -0.553 12.828 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.222 -1.703 12.986 1.00 0.00 H new ATOM 363 N ASP A 48 -0.585 -6.917 10.314 1.00 0.00 N ATOM 364 CA ASP A 48 -1.817 -7.308 9.661 1.00 0.00 C ATOM 365 C ASP A 48 -2.197 -6.223 8.662 1.00 0.00 C ATOM 366 O ASP A 48 -2.154 -5.031 8.978 1.00 0.00 O ATOM 367 CB ASP A 48 -2.925 -7.466 10.718 1.00 0.00 C ATOM 368 CG ASP A 48 -3.101 -6.242 11.628 1.00 0.00 C ATOM 369 OD1 ASP A 48 -4.103 -5.501 11.498 1.00 0.00 O ATOM 370 OD2 ASP A 48 -2.195 -5.996 12.462 1.00 0.00 O ATOM 0 H ASP A 48 -0.689 -6.902 11.329 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.689 -8.258 9.141 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.869 -7.668 10.212 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.702 -8.336 11.336 1.00 0.00 H new ATOM 376 N VAL A 49 -2.563 -6.630 7.453 1.00 0.00 N ATOM 377 CA VAL A 49 -3.020 -5.781 6.369 1.00 0.00 C ATOM 378 C VAL A 49 -4.251 -6.467 5.810 1.00 0.00 C ATOM 379 O VAL A 49 -4.145 -7.501 5.155 1.00 0.00 O ATOM 380 CB VAL A 49 -1.923 -5.532 5.312 1.00 0.00 C ATOM 381 CG1 VAL A 49 -2.249 -4.261 4.517 1.00 0.00 C ATOM 382 CG2 VAL A 49 -0.528 -5.358 5.920 1.00 0.00 C ATOM 0 H VAL A 49 -2.547 -7.616 7.192 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.265 -4.778 6.719 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.909 -6.416 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.472 -4.089 3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.211 -4.381 4.018 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.296 -3.409 5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.197 -5.186 5.124 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.531 -4.505 6.599 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.256 -6.259 6.470 1.00 0.00 H new ATOM 392 N THR A 50 -5.422 -5.941 6.148 1.00 0.00 N ATOM 393 CA THR A 50 -6.692 -6.403 5.623 1.00 0.00 C ATOM 394 C THR A 50 -6.768 -5.979 4.161 1.00 0.00 C ATOM 395 O THR A 50 -6.445 -4.835 3.846 1.00 0.00 O ATOM 396 CB THR A 50 -7.794 -5.824 6.516 1.00 0.00 C ATOM 397 OG1 THR A 50 -7.541 -6.266 7.842 1.00 0.00 O ATOM 398 CG2 THR A 50 -9.184 -6.289 6.106 1.00 0.00 C ATOM 0 H THR A 50 -5.512 -5.168 6.807 1.00 0.00 H new ATOM 0 HA THR A 50 -6.811 -7.486 5.639 1.00 0.00 H new ATOM 0 HB THR A 50 -7.777 -4.738 6.427 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.230 -5.911 8.442 1.00 0.00 H new ATOM 0 HG21 THR A 50 -9.926 -5.849 6.772 1.00 0.00 H new ATOM 0 HG22 THR A 50 -9.385 -5.976 5.081 1.00 0.00 H new ATOM 0 HG23 THR A 50 -9.238 -7.376 6.171 1.00 0.00 H new ATOM 406 N PHE A 51 -7.138 -6.885 3.256 1.00 0.00 N ATOM 407 CA PHE A 51 -7.153 -6.685 1.834 1.00 0.00 C ATOM 408 C PHE A 51 -8.492 -7.125 1.263 1.00 0.00 C ATOM 409 O PHE A 51 -9.181 -7.986 1.816 1.00 0.00 O ATOM 410 CB PHE A 51 -6.014 -7.512 1.263 1.00 0.00 C ATOM 411 CG PHE A 51 -6.112 -8.980 1.615 1.00 0.00 C ATOM 412 CD1 PHE A 51 -5.503 -9.488 2.770 1.00 0.00 C ATOM 413 CD2 PHE A 51 -6.777 -9.857 0.756 1.00 0.00 C ATOM 414 CE1 PHE A 51 -5.505 -10.869 3.021 1.00 0.00 C ATOM 415 CE2 PHE A 51 -6.718 -11.236 0.989 1.00 0.00 C ATOM 416 CZ PHE A 51 -6.094 -11.752 2.125 1.00 0.00 C ATOM 0 H PHE A 51 -7.448 -7.819 3.523 1.00 0.00 H new ATOM 0 HA PHE A 51 -7.023 -5.634 1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -6.003 -7.405 0.178 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.067 -7.119 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.030 -8.815 3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.335 -9.473 -0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.044 -11.249 3.920 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -7.164 -11.913 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.069 -12.817 2.304 1.00 0.00 H new ATOM 426 N ASN A 52 -8.862 -6.501 0.152 1.00 0.00 N ATOM 427 CA ASN A 52 -10.209 -6.505 -0.383 1.00 0.00 C ATOM 428 C ASN A 52 -10.137 -6.643 -1.895 1.00 0.00 C ATOM 429 O ASN A 52 -9.053 -6.669 -2.479 1.00 0.00 O ATOM 430 CB ASN A 52 -10.945 -5.222 0.029 1.00 0.00 C ATOM 431 CG ASN A 52 -11.201 -5.159 1.527 1.00 0.00 C ATOM 432 OD1 ASN A 52 -12.279 -5.504 2.001 1.00 0.00 O ATOM 433 ND2 ASN A 52 -10.226 -4.730 2.307 1.00 0.00 N ATOM 0 H ASN A 52 -8.209 -5.962 -0.416 1.00 0.00 H new ATOM 0 HA ASN A 52 -10.770 -7.348 0.020 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -10.357 -4.355 -0.274 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -11.895 -5.164 -0.502 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -10.364 -4.682 3.317 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -9.335 -4.446 1.900 1.00 0.00 H new ATOM 440 N THR A 53 -11.295 -6.796 -2.516 1.00 0.00 N ATOM 441 CA THR A 53 -11.486 -7.353 -3.842 1.00 0.00 C ATOM 442 C THR A 53 -11.261 -6.277 -4.917 1.00 0.00 C ATOM 443 O THR A 53 -12.202 -5.711 -5.474 1.00 0.00 O ATOM 444 CB THR A 53 -12.903 -7.944 -3.847 1.00 0.00 C ATOM 445 OG1 THR A 53 -13.159 -8.568 -2.596 1.00 0.00 O ATOM 446 CG2 THR A 53 -13.115 -9.003 -4.916 1.00 0.00 C ATOM 0 H THR A 53 -12.176 -6.519 -2.082 1.00 0.00 H new ATOM 0 HA THR A 53 -10.764 -8.135 -4.079 1.00 0.00 H new ATOM 0 HB THR A 53 -13.574 -7.109 -4.047 1.00 0.00 H new ATOM 0 HG1 THR A 53 -14.064 -8.944 -2.597 1.00 0.00 H new ATOM 0 HG21 THR A 53 -14.138 -9.376 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.940 -8.567 -5.900 1.00 0.00 H new ATOM 0 HG23 THR A 53 -12.419 -9.827 -4.755 1.00 0.00 H new ATOM 454 N GLY A 54 -9.997 -6.016 -5.234 1.00 0.00 N ATOM 455 CA GLY A 54 -9.552 -5.065 -6.246 1.00 0.00 C ATOM 456 C GLY A 54 -8.597 -5.754 -7.198 1.00 0.00 C ATOM 457 O GLY A 54 -8.062 -6.820 -6.891 1.00 0.00 O ATOM 0 H GLY A 54 -9.218 -6.484 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -10.409 -4.672 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.060 -4.216 -5.772 1.00 0.00 H new ATOM 461 N ASP A 55 -8.406 -5.175 -8.376 1.00 0.00 N ATOM 462 CA ASP A 55 -7.871 -5.932 -9.493 1.00 0.00 C ATOM 463 C ASP A 55 -6.345 -5.922 -9.482 1.00 0.00 C ATOM 464 O ASP A 55 -5.731 -4.879 -9.725 1.00 0.00 O ATOM 465 CB ASP A 55 -8.418 -5.375 -10.808 1.00 0.00 C ATOM 466 CG ASP A 55 -8.672 -6.488 -11.820 1.00 0.00 C ATOM 467 OD1 ASP A 55 -9.602 -6.333 -12.641 1.00 0.00 O ATOM 468 OD2 ASP A 55 -8.056 -7.574 -11.711 1.00 0.00 O ATOM 0 H ASP A 55 -8.611 -4.197 -8.579 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.189 -6.970 -9.396 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.345 -4.835 -10.618 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.710 -4.658 -11.224 1.00 0.00 H new ATOM 474 N SER A 56 -5.720 -7.060 -9.199 1.00 0.00 N ATOM 475 CA SER A 56 -4.275 -7.230 -9.209 1.00 0.00 C ATOM 476 C SER A 56 -3.939 -8.593 -9.808 1.00 0.00 C ATOM 477 O SER A 56 -4.852 -9.360 -10.119 1.00 0.00 O ATOM 478 CB SER A 56 -3.717 -7.159 -7.776 1.00 0.00 C ATOM 479 OG SER A 56 -4.088 -5.975 -7.109 1.00 0.00 O ATOM 0 H SER A 56 -6.221 -7.913 -8.949 1.00 0.00 H new ATOM 0 HA SER A 56 -3.827 -6.434 -9.804 1.00 0.00 H new ATOM 0 HB2 SER A 56 -4.073 -8.019 -7.208 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.630 -7.228 -7.809 1.00 0.00 H new ATOM 0 HG SER A 56 -4.373 -6.189 -6.196 1.00 0.00 H new ATOM 485 N GLU A 57 -2.647 -8.931 -9.852 1.00 0.00 N ATOM 486 CA GLU A 57 -2.152 -10.273 -10.146 1.00 0.00 C ATOM 487 C GLU A 57 -2.914 -11.285 -9.292 1.00 0.00 C ATOM 488 O GLU A 57 -3.522 -12.227 -9.806 1.00 0.00 O ATOM 489 CB GLU A 57 -0.637 -10.357 -9.887 1.00 0.00 C ATOM 490 CG GLU A 57 0.147 -9.253 -10.618 1.00 0.00 C ATOM 491 CD GLU A 57 1.612 -9.623 -10.867 1.00 0.00 C ATOM 492 OE1 GLU A 57 2.421 -9.644 -9.916 1.00 0.00 O ATOM 493 OE2 GLU A 57 1.958 -9.861 -12.056 1.00 0.00 O ATOM 0 H GLU A 57 -1.899 -8.259 -9.679 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.318 -10.502 -11.199 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.450 -10.283 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.270 -11.332 -10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.336 -9.043 -11.572 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.105 -8.336 -10.031 1.00 0.00 H new ATOM 501 N GLN A 58 -2.968 -11.024 -7.984 1.00 0.00 N ATOM 502 CA GLN A 58 -3.654 -11.890 -7.033 1.00 0.00 C ATOM 503 C GLN A 58 -5.185 -11.787 -7.155 1.00 0.00 C ATOM 504 O GLN A 58 -5.909 -12.760 -6.941 1.00 0.00 O ATOM 505 CB GLN A 58 -3.204 -11.477 -5.626 1.00 0.00 C ATOM 506 CG GLN A 58 -1.679 -11.294 -5.494 1.00 0.00 C ATOM 507 CD GLN A 58 -1.373 -9.819 -5.335 1.00 0.00 C ATOM 508 OE1 GLN A 58 -1.452 -9.039 -6.277 1.00 0.00 O ATOM 509 NE2 GLN A 58 -1.164 -9.390 -4.104 1.00 0.00 N ATOM 0 H GLN A 58 -2.536 -10.204 -7.558 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.396 -12.929 -7.240 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.698 -10.544 -5.355 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.534 -12.232 -4.912 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.306 -11.851 -4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.174 -11.691 -6.375 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.102 -10.057 -3.335 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.065 -8.391 -3.922 1.00 0.00 H new ATOM 518 N GLY A 59 -5.701 -10.600 -7.482 1.00 0.00 N ATOM 519 CA GLY A 59 -7.129 -10.302 -7.514 1.00 0.00 C ATOM 520 C GLY A 59 -7.640 -9.613 -6.246 1.00 0.00 C ATOM 521 O GLY A 59 -8.848 -9.642 -5.991 1.00 0.00 O ATOM 0 H GLY A 59 -5.120 -9.802 -7.738 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.340 -9.665 -8.373 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.682 -11.230 -7.661 1.00 0.00 H new ATOM 525 N ILE A 60 -6.744 -9.051 -5.429 1.00 0.00 N ATOM 526 CA ILE A 60 -7.007 -8.384 -4.151 1.00 0.00 C ATOM 527 C ILE A 60 -5.997 -7.238 -3.988 1.00 0.00 C ATOM 528 O ILE A 60 -4.935 -7.264 -4.621 1.00 0.00 O ATOM 529 CB ILE A 60 -6.918 -9.391 -2.966 1.00 0.00 C ATOM 530 CG1 ILE A 60 -5.809 -10.435 -3.226 1.00 0.00 C ATOM 531 CG2 ILE A 60 -8.260 -10.116 -2.768 1.00 0.00 C ATOM 532 CD1 ILE A 60 -5.412 -11.226 -1.989 1.00 0.00 C ATOM 0 H ILE A 60 -5.750 -9.050 -5.658 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.020 -7.981 -4.145 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.679 -8.827 -2.064 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.148 -11.128 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.929 -9.927 -3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.177 -10.815 -1.936 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -9.040 -9.386 -2.552 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -8.516 -10.662 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.629 -11.939 -2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.042 -10.543 -1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.280 -11.763 -1.607 1.00 0.00 H new ATOM 544 N VAL A 61 -6.296 -6.265 -3.120 1.00 0.00 N ATOM 545 CA VAL A 61 -5.431 -5.137 -2.767 1.00 0.00 C ATOM 546 C VAL A 61 -5.535 -4.834 -1.260 1.00 0.00 C ATOM 547 O VAL A 61 -6.611 -5.018 -0.688 1.00 0.00 O ATOM 548 CB VAL A 61 -5.801 -3.880 -3.591 1.00 0.00 C ATOM 549 CG1 VAL A 61 -5.493 -4.061 -5.078 1.00 0.00 C ATOM 550 CG2 VAL A 61 -7.262 -3.436 -3.428 1.00 0.00 C ATOM 0 H VAL A 61 -7.187 -6.243 -2.624 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.402 -5.411 -3.002 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.172 -3.090 -3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.768 -3.156 -5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.428 -4.253 -5.208 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.064 -4.904 -5.468 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.443 -2.550 -4.036 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.925 -4.239 -3.751 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.457 -3.204 -2.381 1.00 0.00 H new ATOM 560 N PRO A 62 -4.467 -4.349 -0.599 1.00 0.00 N ATOM 561 CA PRO A 62 -4.476 -4.009 0.825 1.00 0.00 C ATOM 562 C PRO A 62 -5.267 -2.727 1.103 1.00 0.00 C ATOM 563 O PRO A 62 -5.279 -1.796 0.295 1.00 0.00 O ATOM 564 CB PRO A 62 -3.003 -3.829 1.194 1.00 0.00 C ATOM 565 CG PRO A 62 -2.364 -3.361 -0.108 1.00 0.00 C ATOM 566 CD PRO A 62 -3.153 -4.114 -1.174 1.00 0.00 C ATOM 0 HA PRO A 62 -4.963 -4.785 1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -2.876 -3.095 1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.561 -4.761 1.546 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -2.448 -2.281 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -1.302 -3.605 -0.146 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.226 -3.531 -2.092 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -2.665 -5.054 -1.432 1.00 0.00 H new ATOM 574 N CYS A 63 -5.857 -2.640 2.295 1.00 0.00 N ATOM 575 CA CYS A 63 -6.496 -1.459 2.853 1.00 0.00 C ATOM 576 C CYS A 63 -5.400 -0.526 3.355 1.00 0.00 C ATOM 577 O CYS A 63 -4.989 -0.571 4.520 1.00 0.00 O ATOM 578 CB CYS A 63 -7.465 -1.830 3.985 1.00 0.00 C ATOM 579 SG CYS A 63 -8.234 -0.386 4.772 1.00 0.00 S ATOM 0 H CYS A 63 -5.902 -3.438 2.928 1.00 0.00 H new ATOM 0 HA CYS A 63 -7.089 -0.962 2.085 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -8.246 -2.478 3.588 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -6.928 -2.404 4.740 1.00 0.00 H new ATOM 0 HG CYS A 63 -9.038 -0.782 5.714 1.00 0.00 H new ATOM 585 N LEU A 64 -4.896 0.313 2.459 1.00 0.00 N ATOM 586 CA LEU A 64 -4.021 1.408 2.827 1.00 0.00 C ATOM 587 C LEU A 64 -4.961 2.568 3.149 1.00 0.00 C ATOM 588 O LEU A 64 -6.005 2.737 2.515 1.00 0.00 O ATOM 589 CB LEU A 64 -3.021 1.700 1.695 1.00 0.00 C ATOM 590 CG LEU A 64 -2.161 0.462 1.322 1.00 0.00 C ATOM 591 CD1 LEU A 64 -1.571 0.546 -0.090 1.00 0.00 C ATOM 592 CD2 LEU A 64 -1.033 0.254 2.341 1.00 0.00 C ATOM 0 H LEU A 64 -5.085 0.250 1.459 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.390 1.193 3.690 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.565 2.038 0.813 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.364 2.516 1.997 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.837 -0.393 1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.981 -0.348 -0.291 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.379 0.619 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.933 1.427 -0.166 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.444 -0.619 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.391 1.135 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -1.461 0.098 3.331 1.00 0.00 H new ATOM 604 N THR A 65 -4.635 3.335 4.179 1.00 0.00 N ATOM 605 CA THR A 65 -5.478 4.394 4.714 1.00 0.00 C ATOM 606 C THR A 65 -4.632 5.666 4.743 1.00 0.00 C ATOM 607 O THR A 65 -3.422 5.609 4.487 1.00 0.00 O ATOM 608 CB THR A 65 -6.082 3.962 6.066 1.00 0.00 C ATOM 609 OG1 THR A 65 -5.071 3.818 7.038 1.00 0.00 O ATOM 610 CG2 THR A 65 -6.763 2.589 5.923 1.00 0.00 C ATOM 0 H THR A 65 -3.752 3.235 4.680 1.00 0.00 H new ATOM 0 HA THR A 65 -6.350 4.600 4.093 1.00 0.00 H new ATOM 0 HB THR A 65 -6.797 4.728 6.366 1.00 0.00 H new ATOM 0 HG1 THR A 65 -5.472 3.545 7.889 1.00 0.00 H new ATOM 0 HG21 THR A 65 -7.187 2.291 6.882 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.557 2.653 5.179 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.028 1.849 5.606 1.00 0.00 H new ATOM 618 N ARG A 66 -5.237 6.823 5.024 1.00 0.00 N ATOM 619 CA ARG A 66 -4.487 8.076 5.044 1.00 0.00 C ATOM 620 C ARG A 66 -3.296 7.999 5.988 1.00 0.00 C ATOM 621 O ARG A 66 -2.225 8.476 5.617 1.00 0.00 O ATOM 622 CB ARG A 66 -5.417 9.234 5.422 1.00 0.00 C ATOM 623 CG ARG A 66 -6.021 9.874 4.160 1.00 0.00 C ATOM 624 CD ARG A 66 -5.332 11.200 3.792 1.00 0.00 C ATOM 625 NE ARG A 66 -6.075 12.356 4.329 1.00 0.00 N ATOM 626 CZ ARG A 66 -5.692 13.634 4.265 1.00 0.00 C ATOM 627 NH1 ARG A 66 -4.475 13.941 3.837 1.00 0.00 N ATOM 628 NH2 ARG A 66 -6.543 14.588 4.599 1.00 0.00 N ATOM 0 H ARG A 66 -6.230 6.916 5.238 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.091 8.255 4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.215 8.871 6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.863 9.983 5.987 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -5.935 9.178 3.325 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.085 10.051 4.319 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.315 11.205 4.184 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -5.257 11.285 2.708 1.00 0.00 H new ATOM 0 HE ARG A 66 -6.963 12.161 4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.831 13.201 3.557 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.183 14.917 3.788 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.486 14.347 4.903 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.257 15.566 4.552 1.00 0.00 H new ATOM 642 N ALA A 67 -3.462 7.347 7.138 1.00 0.00 N ATOM 643 CA ALA A 67 -2.366 7.157 8.077 1.00 0.00 C ATOM 644 C ALA A 67 -1.311 6.255 7.463 1.00 0.00 C ATOM 645 O ALA A 67 -0.147 6.628 7.433 1.00 0.00 O ATOM 646 CB ALA A 67 -2.862 6.551 9.385 1.00 0.00 C ATOM 0 H ALA A 67 -4.348 6.942 7.439 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.932 8.133 8.294 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.022 6.420 10.067 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.597 7.216 9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -3.322 5.583 9.186 1.00 0.00 H new ATOM 652 N GLN A 68 -1.706 5.081 6.953 1.00 0.00 N ATOM 653 CA GLN A 68 -0.763 4.051 6.513 1.00 0.00 C ATOM 654 C GLN A 68 0.187 4.614 5.453 1.00 0.00 C ATOM 655 O GLN A 68 1.383 4.318 5.427 1.00 0.00 O ATOM 656 CB GLN A 68 -1.530 2.867 5.912 1.00 0.00 C ATOM 657 CG GLN A 68 -2.493 2.147 6.867 1.00 0.00 C ATOM 658 CD GLN A 68 -1.961 0.803 7.345 1.00 0.00 C ATOM 659 OE1 GLN A 68 -1.105 0.741 8.225 1.00 0.00 O ATOM 660 NE2 GLN A 68 -2.468 -0.280 6.779 1.00 0.00 N ATOM 0 H GLN A 68 -2.685 4.822 6.835 1.00 0.00 H new ATOM 0 HA GLN A 68 -0.186 3.721 7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -2.098 3.224 5.053 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.808 2.141 5.538 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -2.684 2.784 7.731 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -3.449 1.996 6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -3.177 -0.191 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -2.150 -1.204 7.070 1.00 0.00 H new ATOM 669 N LEU A 69 -0.367 5.419 4.548 1.00 0.00 N ATOM 670 CA LEU A 69 0.362 6.042 3.462 1.00 0.00 C ATOM 671 C LEU A 69 1.208 7.192 3.982 1.00 0.00 C ATOM 672 O LEU A 69 2.413 7.219 3.739 1.00 0.00 O ATOM 673 CB LEU A 69 -0.627 6.502 2.393 1.00 0.00 C ATOM 674 CG LEU A 69 -1.405 5.320 1.807 1.00 0.00 C ATOM 675 CD1 LEU A 69 -2.557 5.832 0.946 1.00 0.00 C ATOM 676 CD2 LEU A 69 -0.509 4.395 0.972 1.00 0.00 C ATOM 0 H LEU A 69 -1.359 5.657 4.556 1.00 0.00 H new ATOM 0 HA LEU A 69 1.044 5.321 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.324 7.220 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.091 7.018 1.596 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.794 4.739 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.106 4.986 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.228 6.436 1.557 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.161 6.440 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.104 3.572 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.075 4.958 0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.289 3.998 1.599 1.00 0.00 H new ATOM 688 N ALA A 70 0.621 8.128 4.730 1.00 0.00 N ATOM 689 CA ALA A 70 1.400 9.217 5.300 1.00 0.00 C ATOM 690 C ALA A 70 2.539 8.675 6.178 1.00 0.00 C ATOM 691 O ALA A 70 3.570 9.337 6.287 1.00 0.00 O ATOM 692 CB ALA A 70 0.481 10.140 6.107 1.00 0.00 C ATOM 0 H ALA A 70 -0.375 8.151 4.950 1.00 0.00 H new ATOM 0 HA ALA A 70 1.852 9.789 4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.067 10.955 6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.289 10.550 5.453 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.010 9.573 6.910 1.00 0.00 H new ATOM 698 N SER A 71 2.387 7.474 6.749 1.00 0.00 N ATOM 699 CA SER A 71 3.383 6.828 7.602 1.00 0.00 C ATOM 700 C SER A 71 4.619 6.484 6.774 1.00 0.00 C ATOM 701 O SER A 71 5.705 6.987 7.072 1.00 0.00 O ATOM 702 CB SER A 71 2.754 5.609 8.289 1.00 0.00 C ATOM 703 OG SER A 71 3.689 4.770 8.942 1.00 0.00 O ATOM 0 H SER A 71 1.544 6.913 6.625 1.00 0.00 H new ATOM 0 HA SER A 71 3.712 7.502 8.393 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.020 5.954 9.017 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.214 5.024 7.545 1.00 0.00 H new ATOM 0 HG SER A 71 3.219 4.017 9.358 1.00 0.00 H new ATOM 709 N MET A 72 4.446 5.700 5.700 1.00 0.00 N ATOM 710 CA MET A 72 5.499 5.379 4.729 1.00 0.00 C ATOM 711 C MET A 72 5.993 6.626 3.967 1.00 0.00 C ATOM 712 O MET A 72 6.758 6.469 3.027 1.00 0.00 O ATOM 713 CB MET A 72 5.042 4.288 3.726 1.00 0.00 C ATOM 714 CG MET A 72 3.816 4.761 2.956 1.00 0.00 C ATOM 715 SD MET A 72 3.183 3.763 1.591 1.00 0.00 S ATOM 716 CE MET A 72 2.506 2.383 2.534 1.00 0.00 C ATOM 0 H MET A 72 3.551 5.263 5.479 1.00 0.00 H new ATOM 0 HA MET A 72 6.335 4.988 5.308 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.851 4.060 3.032 1.00 0.00 H new ATOM 0 HB3 MET A 72 4.812 3.366 4.260 1.00 0.00 H new ATOM 0 HG2 MET A 72 3.006 4.882 3.675 1.00 0.00 H new ATOM 0 HG3 MET A 72 4.041 5.751 2.560 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.900 1.757 1.879 1.00 0.00 H new ATOM 0 HE2 MET A 72 3.322 1.791 2.949 1.00 0.00 H new ATOM 0 HE3 MET A 72 1.886 2.766 3.345 1.00 0.00 H new ATOM 726 N GLY A 73 5.529 7.844 4.272 1.00 0.00 N ATOM 727 CA GLY A 73 6.061 9.073 3.699 1.00 0.00 C ATOM 728 C GLY A 73 5.414 9.443 2.365 1.00 0.00 C ATOM 729 O GLY A 73 5.857 10.384 1.699 1.00 0.00 O ATOM 0 H GLY A 73 4.766 7.999 4.931 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.914 9.890 4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 73 7.136 8.964 3.557 1.00 0.00 H new ATOM 733 N LEU A 74 4.358 8.725 1.966 1.00 0.00 N ATOM 734 CA LEU A 74 3.535 9.070 0.818 1.00 0.00 C ATOM 735 C LEU A 74 2.874 10.418 1.079 1.00 0.00 C ATOM 736 O LEU A 74 2.406 10.710 2.186 1.00 0.00 O ATOM 737 CB LEU A 74 2.532 7.934 0.544 1.00 0.00 C ATOM 738 CG LEU A 74 1.402 8.200 -0.466 1.00 0.00 C ATOM 739 CD1 LEU A 74 0.272 9.076 0.083 1.00 0.00 C ATOM 740 CD2 LEU A 74 1.938 8.677 -1.813 1.00 0.00 C ATOM 0 H LEU A 74 4.053 7.877 2.443 1.00 0.00 H new ATOM 0 HA LEU A 74 4.135 9.174 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 74 3.095 7.068 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.074 7.656 1.493 1.00 0.00 H new ATOM 0 HG LEU A 74 0.930 7.234 -0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.486 9.218 -0.688 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.178 8.590 0.949 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.674 10.045 0.379 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.106 8.852 -2.494 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.495 9.603 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.596 7.916 -2.233 1.00 0.00 H new ATOM 752 N ASN A 75 2.850 11.243 0.042 1.00 0.00 N ATOM 753 CA ASN A 75 2.280 12.575 0.048 1.00 0.00 C ATOM 754 C ASN A 75 0.809 12.522 -0.336 1.00 0.00 C ATOM 755 O ASN A 75 0.469 12.551 -1.524 1.00 0.00 O ATOM 756 CB ASN A 75 3.036 13.501 -0.915 1.00 0.00 C ATOM 757 CG ASN A 75 2.740 14.954 -0.569 1.00 0.00 C ATOM 758 OD1 ASN A 75 1.718 15.264 0.042 1.00 0.00 O ATOM 759 ND2 ASN A 75 3.618 15.873 -0.921 1.00 0.00 N ATOM 0 H ASN A 75 3.245 10.988 -0.863 1.00 0.00 H new ATOM 0 HA ASN A 75 2.373 12.976 1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.108 13.313 -0.850 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.738 13.294 -1.943 1.00 0.00 H new ATOM 0 HD21 ASN A 75 3.453 16.852 -0.687 1.00 0.00 H new ATOM 0 HD22 ASN A 75 4.462 15.605 -1.427 1.00 0.00 H new ATOM 766 N THR A 76 -0.094 12.432 0.638 1.00 0.00 N ATOM 767 CA THR A 76 -1.523 12.468 0.378 1.00 0.00 C ATOM 768 C THR A 76 -1.968 13.791 -0.259 1.00 0.00 C ATOM 769 O THR A 76 -3.079 13.859 -0.776 1.00 0.00 O ATOM 770 CB THR A 76 -2.264 12.218 1.697 1.00 0.00 C ATOM 771 OG1 THR A 76 -1.831 13.091 2.730 1.00 0.00 O ATOM 772 CG2 THR A 76 -1.974 10.805 2.206 1.00 0.00 C ATOM 0 H THR A 76 0.147 12.333 1.624 1.00 0.00 H new ATOM 0 HA THR A 76 -1.766 11.688 -0.344 1.00 0.00 H new ATOM 0 HB THR A 76 -3.321 12.376 1.481 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.927 12.645 3.597 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.506 10.640 3.143 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.307 10.077 1.467 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.903 10.691 2.372 1.00 0.00 H new ATOM 780 N ALA A 77 -1.135 14.838 -0.232 1.00 0.00 N ATOM 781 CA ALA A 77 -1.451 16.115 -0.840 1.00 0.00 C ATOM 782 C ALA A 77 -0.921 16.244 -2.262 1.00 0.00 C ATOM 783 O ALA A 77 -1.290 17.212 -2.927 1.00 0.00 O ATOM 784 CB ALA A 77 -0.845 17.250 -0.021 1.00 0.00 C ATOM 0 H ALA A 77 -0.220 14.812 0.218 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.539 16.174 -0.866 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.088 18.205 -0.487 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -1.251 17.226 0.990 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.238 17.132 0.019 1.00 0.00 H new ATOM 790 N SER A 78 -0.026 15.367 -2.729 1.00 0.00 N ATOM 791 CA SER A 78 0.364 15.403 -4.132 1.00 0.00 C ATOM 792 C SER A 78 -0.835 15.026 -5.009 1.00 0.00 C ATOM 793 O SER A 78 -0.980 15.602 -6.085 1.00 0.00 O ATOM 794 CB SER A 78 1.601 14.539 -4.405 1.00 0.00 C ATOM 795 OG SER A 78 2.768 15.084 -3.811 1.00 0.00 O ATOM 0 H SER A 78 0.428 14.645 -2.170 1.00 0.00 H new ATOM 0 HA SER A 78 0.660 16.419 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 78 1.433 13.533 -4.020 1.00 0.00 H new ATOM 0 HB3 SER A 78 1.750 14.448 -5.481 1.00 0.00 H new ATOM 0 HG SER A 78 3.561 14.748 -4.279 1.00 0.00 H new ATOM 801 N VAL A 79 -1.737 14.154 -4.534 1.00 0.00 N ATOM 802 CA VAL A 79 -2.756 13.549 -5.368 1.00 0.00 C ATOM 803 C VAL A 79 -4.047 14.327 -5.168 1.00 0.00 C ATOM 804 O VAL A 79 -4.625 14.303 -4.074 1.00 0.00 O ATOM 805 CB VAL A 79 -2.912 12.059 -5.019 1.00 0.00 C ATOM 806 CG1 VAL A 79 -3.484 11.286 -6.214 1.00 0.00 C ATOM 807 CG2 VAL A 79 -1.588 11.427 -4.575 1.00 0.00 C ATOM 0 H VAL A 79 -1.771 13.856 -3.559 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.477 13.593 -6.421 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.605 11.998 -4.180 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -3.588 10.233 -5.950 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.461 11.693 -6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.810 11.382 -7.065 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.748 10.375 -4.339 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.857 11.512 -5.379 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.216 11.945 -3.691 1.00 0.00 H new ATOM 817 N ALA A 80 -4.490 15.014 -6.220 1.00 0.00 N ATOM 818 CA ALA A 80 -5.791 15.649 -6.261 1.00 0.00 C ATOM 819 C ALA A 80 -6.847 14.574 -6.017 1.00 0.00 C ATOM 820 O ALA A 80 -7.048 13.702 -6.866 1.00 0.00 O ATOM 821 CB ALA A 80 -5.985 16.331 -7.616 1.00 0.00 C ATOM 0 H ALA A 80 -3.945 15.142 -7.072 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.879 16.417 -5.492 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.964 16.809 -7.646 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.210 17.084 -7.759 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.919 15.587 -8.410 1.00 0.00 H new ATOM 827 N GLY A 81 -7.483 14.609 -4.846 1.00 0.00 N ATOM 828 CA GLY A 81 -8.507 13.646 -4.483 1.00 0.00 C ATOM 829 C GLY A 81 -8.024 12.554 -3.528 1.00 0.00 C ATOM 830 O GLY A 81 -8.768 11.597 -3.331 1.00 0.00 O ATOM 0 H GLY A 81 -7.298 15.308 -4.127 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.341 14.175 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -8.889 13.178 -5.390 1.00 0.00 H new ATOM 834 N MET A 82 -6.831 12.657 -2.918 1.00 0.00 N ATOM 835 CA MET A 82 -6.450 11.800 -1.783 1.00 0.00 C ATOM 836 C MET A 82 -6.620 12.509 -0.448 1.00 0.00 C ATOM 837 O MET A 82 -6.960 11.884 0.556 1.00 0.00 O ATOM 838 CB MET A 82 -5.017 11.287 -1.910 1.00 0.00 C ATOM 839 CG MET A 82 -4.688 10.343 -0.745 1.00 0.00 C ATOM 840 SD MET A 82 -3.210 9.338 -0.948 1.00 0.00 S ATOM 841 CE MET A 82 -3.672 8.389 -2.412 1.00 0.00 C ATOM 0 H MET A 82 -6.113 13.327 -3.193 1.00 0.00 H new ATOM 0 HA MET A 82 -7.129 10.948 -1.811 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.893 10.764 -2.858 1.00 0.00 H new ATOM 0 HB3 MET A 82 -4.321 12.126 -1.916 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.578 10.939 0.161 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.538 9.679 -0.589 1.00 0.00 H new ATOM 0 HE1 MET A 82 -3.133 7.442 -2.417 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.745 8.196 -2.397 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.418 8.956 -3.308 1.00 0.00 H new ATOM 851 N ASN A 83 -6.395 13.816 -0.421 1.00 0.00 N ATOM 852 CA ASN A 83 -6.403 14.666 0.762 1.00 0.00 C ATOM 853 C ASN A 83 -7.797 14.855 1.388 1.00 0.00 C ATOM 854 O ASN A 83 -7.997 15.769 2.185 1.00 0.00 O ATOM 855 CB ASN A 83 -5.735 16.003 0.417 1.00 0.00 C ATOM 856 CG ASN A 83 -6.414 16.753 -0.722 1.00 0.00 C ATOM 857 OD1 ASN A 83 -6.515 16.256 -1.839 1.00 0.00 O ATOM 858 ND2 ASN A 83 -6.854 17.971 -0.483 1.00 0.00 N ATOM 0 H ASN A 83 -6.191 14.341 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.831 14.160 1.539 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.730 16.636 1.304 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -4.694 15.820 0.150 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -7.285 18.513 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.764 18.372 0.451 1.00 0.00 H new ATOM 865 N LEU A 84 -8.767 14.005 1.049 1.00 0.00 N ATOM 866 CA LEU A 84 -10.135 14.008 1.540 1.00 0.00 C ATOM 867 C LEU A 84 -10.579 12.592 1.961 1.00 0.00 C ATOM 868 O LEU A 84 -11.737 12.406 2.327 1.00 0.00 O ATOM 869 CB LEU A 84 -11.108 14.678 0.554 1.00 0.00 C ATOM 870 CG LEU A 84 -10.829 14.501 -0.945 1.00 0.00 C ATOM 871 CD1 LEU A 84 -9.627 15.334 -1.402 1.00 0.00 C ATOM 872 CD2 LEU A 84 -10.683 13.032 -1.339 1.00 0.00 C ATOM 0 H LEU A 84 -8.602 13.251 0.382 1.00 0.00 H new ATOM 0 HA LEU A 84 -10.162 14.625 2.438 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -12.109 14.297 0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.123 15.746 0.770 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.704 14.880 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.463 15.181 -2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.823 16.389 -1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -8.739 15.025 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.487 12.960 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -9.854 12.588 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.604 12.499 -1.102 1.00 0.00 H new ATOM 884 N LEU A 85 -9.679 11.597 1.945 1.00 0.00 N ATOM 885 CA LEU A 85 -10.007 10.211 2.300 1.00 0.00 C ATOM 886 C LEU A 85 -10.073 10.074 3.822 1.00 0.00 C ATOM 887 O LEU A 85 -9.434 10.842 4.547 1.00 0.00 O ATOM 888 CB LEU A 85 -8.876 9.284 1.804 1.00 0.00 C ATOM 889 CG LEU A 85 -9.071 8.617 0.432 1.00 0.00 C ATOM 890 CD1 LEU A 85 -10.025 7.420 0.498 1.00 0.00 C ATOM 891 CD2 LEU A 85 -9.499 9.552 -0.677 1.00 0.00 C ATOM 0 H LEU A 85 -8.702 11.733 1.685 1.00 0.00 H new ATOM 0 HA LEU A 85 -10.962 9.945 1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.953 9.863 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.733 8.498 2.545 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.071 8.270 0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.130 6.983 -0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.624 6.673 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -11.001 7.751 0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.610 8.990 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.451 10.014 -0.416 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.744 10.327 -0.811 1.00 0.00 H new ATOM 903 N ALA A 86 -10.786 9.057 4.313 1.00 0.00 N ATOM 904 CA ALA A 86 -10.854 8.762 5.738 1.00 0.00 C ATOM 905 C ALA A 86 -9.547 8.181 6.275 1.00 0.00 C ATOM 906 O ALA A 86 -8.656 7.753 5.529 1.00 0.00 O ATOM 907 CB ALA A 86 -11.958 7.749 6.049 1.00 0.00 C ATOM 0 H ALA A 86 -11.330 8.419 3.732 1.00 0.00 H new ATOM 0 HA ALA A 86 -11.060 9.718 6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -11.980 7.552 7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -12.921 8.152 5.734 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -11.761 6.820 5.514 1.00 0.00 H new ATOM 913 N ASP A 87 -9.521 8.037 7.596 1.00 0.00 N ATOM 914 CA ASP A 87 -8.514 7.305 8.350 1.00 0.00 C ATOM 915 C ASP A 87 -8.609 5.791 8.150 1.00 0.00 C ATOM 916 O ASP A 87 -7.841 5.042 8.749 1.00 0.00 O ATOM 917 CB ASP A 87 -8.601 7.644 9.847 1.00 0.00 C ATOM 918 CG ASP A 87 -7.239 8.100 10.357 1.00 0.00 C ATOM 919 OD1 ASP A 87 -7.047 9.337 10.409 1.00 0.00 O ATOM 920 OD2 ASP A 87 -6.331 7.255 10.551 1.00 0.00 O ATOM 0 H ASP A 87 -10.236 8.448 8.197 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.546 7.623 7.962 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.340 8.428 10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.935 6.771 10.407 1.00 0.00 H new ATOM 926 N ASP A 88 -9.539 5.279 7.346 1.00 0.00 N ATOM 927 CA ASP A 88 -9.734 3.857 7.212 1.00 0.00 C ATOM 928 C ASP A 88 -10.530 3.477 5.965 1.00 0.00 C ATOM 929 O ASP A 88 -11.249 2.472 5.910 1.00 0.00 O ATOM 930 CB ASP A 88 -10.450 3.356 8.468 1.00 0.00 C ATOM 931 CG ASP A 88 -11.377 4.326 9.202 1.00 0.00 C ATOM 932 OD1 ASP A 88 -12.288 4.894 8.555 1.00 0.00 O ATOM 933 OD2 ASP A 88 -11.193 4.500 10.434 1.00 0.00 O ATOM 0 H ASP A 88 -10.170 5.844 6.777 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.757 3.387 7.100 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.036 2.480 8.191 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.690 3.021 9.174 1.00 0.00 H new ATOM 939 N ALA A 89 -10.286 4.208 4.880 1.00 0.00 N ATOM 940 CA ALA A 89 -11.229 4.183 3.772 1.00 0.00 C ATOM 941 C ALA A 89 -10.775 3.360 2.582 1.00 0.00 C ATOM 942 O ALA A 89 -11.339 3.506 1.499 1.00 0.00 O ATOM 943 CB ALA A 89 -11.559 5.613 3.373 1.00 0.00 C ATOM 0 H ALA A 89 -9.470 4.806 4.748 1.00 0.00 H new ATOM 0 HA ALA A 89 -12.126 3.673 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.265 5.605 2.543 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -12.002 6.135 4.222 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.647 6.125 3.068 1.00 0.00 H new ATOM 949 N CYS A 90 -9.773 2.502 2.763 1.00 0.00 N ATOM 950 CA CYS A 90 -9.166 1.759 1.665 1.00 0.00 C ATOM 951 C CYS A 90 -8.805 2.706 0.502 1.00 0.00 C ATOM 952 O CYS A 90 -9.223 2.477 -0.636 1.00 0.00 O ATOM 953 CB CYS A 90 -10.133 0.658 1.202 1.00 0.00 C ATOM 954 SG CYS A 90 -10.605 -0.596 2.419 1.00 0.00 S ATOM 0 H CYS A 90 -9.361 2.304 3.675 1.00 0.00 H new ATOM 0 HA CYS A 90 -8.242 1.295 2.009 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.043 1.138 0.841 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -9.682 0.149 0.350 1.00 0.00 H new ATOM 0 HG CYS A 90 -9.765 -0.575 3.411 1.00 0.00 H new ATOM 960 N VAL A 91 -8.048 3.777 0.780 1.00 0.00 N ATOM 961 CA VAL A 91 -7.460 4.704 -0.181 1.00 0.00 C ATOM 962 C VAL A 91 -7.044 3.911 -1.424 1.00 0.00 C ATOM 963 O VAL A 91 -6.239 2.985 -1.291 1.00 0.00 O ATOM 964 CB VAL A 91 -6.239 5.402 0.452 1.00 0.00 C ATOM 965 CG1 VAL A 91 -5.640 6.430 -0.509 1.00 0.00 C ATOM 966 CG2 VAL A 91 -6.564 6.130 1.768 1.00 0.00 C ATOM 0 H VAL A 91 -7.820 4.029 1.742 1.00 0.00 H new ATOM 0 HA VAL A 91 -8.182 5.470 -0.463 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.532 4.600 0.664 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.780 6.909 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.323 5.931 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -6.390 7.184 -0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.660 6.598 2.158 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -7.318 6.895 1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.944 5.413 2.496 1.00 0.00 H new ATOM 976 N PRO A 92 -7.625 4.174 -2.606 1.00 0.00 N ATOM 977 CA PRO A 92 -7.389 3.347 -3.780 1.00 0.00 C ATOM 978 C PRO A 92 -6.027 3.663 -4.383 1.00 0.00 C ATOM 979 O PRO A 92 -5.946 4.364 -5.396 1.00 0.00 O ATOM 980 CB PRO A 92 -8.531 3.675 -4.732 1.00 0.00 C ATOM 981 CG PRO A 92 -8.852 5.125 -4.403 1.00 0.00 C ATOM 982 CD PRO A 92 -8.652 5.170 -2.889 1.00 0.00 C ATOM 0 HA PRO A 92 -7.370 2.282 -3.549 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -8.234 3.555 -5.774 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -9.391 3.025 -4.569 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -8.187 5.816 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -9.871 5.390 -4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.338 6.162 -2.563 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.579 4.940 -2.363 1.00 0.00 H new ATOM 990 N LEU A 93 -4.941 3.251 -3.731 1.00 0.00 N ATOM 991 CA LEU A 93 -3.602 3.622 -4.160 1.00 0.00 C ATOM 992 C LEU A 93 -3.447 3.199 -5.620 1.00 0.00 C ATOM 993 O LEU A 93 -3.206 4.043 -6.480 1.00 0.00 O ATOM 994 CB LEU A 93 -2.555 3.005 -3.220 1.00 0.00 C ATOM 995 CG LEU A 93 -1.132 3.493 -3.568 1.00 0.00 C ATOM 996 CD1 LEU A 93 -0.866 4.859 -2.929 1.00 0.00 C ATOM 997 CD2 LEU A 93 -0.073 2.495 -3.091 1.00 0.00 C ATOM 0 H LEU A 93 -4.967 2.658 -2.901 1.00 0.00 H new ATOM 0 HA LEU A 93 -3.443 4.699 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.790 3.267 -2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -2.596 1.918 -3.290 1.00 0.00 H new ATOM 0 HG LEU A 93 -1.068 3.579 -4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.141 5.190 -3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -1.591 5.583 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -0.959 4.778 -1.846 1.00 0.00 H new ATOM 0 HD21 LEU A 93 0.919 2.865 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.145 2.377 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -0.238 1.531 -3.573 1.00 0.00 H new ATOM 1009 N THR A 94 -3.771 1.941 -5.909 1.00 0.00 N ATOM 1010 CA THR A 94 -3.616 1.291 -7.205 1.00 0.00 C ATOM 1011 C THR A 94 -4.748 1.642 -8.189 1.00 0.00 C ATOM 1012 O THR A 94 -4.914 0.955 -9.199 1.00 0.00 O ATOM 1013 CB THR A 94 -3.276 -0.195 -6.924 1.00 0.00 C ATOM 1014 OG1 THR A 94 -4.218 -0.787 -6.039 1.00 0.00 O ATOM 1015 CG2 THR A 94 -1.943 -0.359 -6.187 1.00 0.00 C ATOM 0 H THR A 94 -4.169 1.316 -5.208 1.00 0.00 H new ATOM 0 HA THR A 94 -2.778 1.675 -7.786 1.00 0.00 H new ATOM 0 HB THR A 94 -3.263 -0.660 -7.910 1.00 0.00 H new ATOM 0 HG1 THR A 94 -3.977 -1.724 -5.883 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.751 -1.418 -6.014 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.139 0.062 -6.791 1.00 0.00 H new ATOM 0 HG23 THR A 94 -1.989 0.162 -5.231 1.00 0.00 H new ATOM 1023 N THR A 95 -5.485 2.733 -7.930 1.00 0.00 N ATOM 1024 CA THR A 95 -6.426 3.349 -8.871 1.00 0.00 C ATOM 1025 C THR A 95 -6.324 4.901 -8.858 1.00 0.00 C ATOM 1026 O THR A 95 -7.018 5.559 -9.637 1.00 0.00 O ATOM 1027 CB THR A 95 -7.845 2.786 -8.603 1.00 0.00 C ATOM 1028 OG1 THR A 95 -7.852 1.368 -8.619 1.00 0.00 O ATOM 1029 CG2 THR A 95 -8.951 3.254 -9.544 1.00 0.00 C ATOM 0 H THR A 95 -5.440 3.222 -7.036 1.00 0.00 H new ATOM 0 HA THR A 95 -6.167 3.082 -9.895 1.00 0.00 H new ATOM 0 HB THR A 95 -8.073 3.192 -7.618 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.760 1.043 -8.445 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.895 2.792 -9.255 1.00 0.00 H new ATOM 0 HG22 THR A 95 -9.045 4.338 -9.485 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.705 2.967 -10.566 1.00 0.00 H new ATOM 1037 N MET A 96 -5.474 5.524 -8.021 1.00 0.00 N ATOM 1038 CA MET A 96 -5.165 6.963 -8.114 1.00 0.00 C ATOM 1039 C MET A 96 -3.690 7.277 -8.346 1.00 0.00 C ATOM 1040 O MET A 96 -3.358 8.427 -8.643 1.00 0.00 O ATOM 1041 CB MET A 96 -5.627 7.728 -6.866 1.00 0.00 C ATOM 1042 CG MET A 96 -6.357 9.017 -7.263 1.00 0.00 C ATOM 1043 SD MET A 96 -6.744 10.233 -5.959 1.00 0.00 S ATOM 1044 CE MET A 96 -6.727 9.251 -4.441 1.00 0.00 C ATOM 0 H MET A 96 -4.984 5.047 -7.264 1.00 0.00 H new ATOM 0 HA MET A 96 -5.719 7.293 -8.993 1.00 0.00 H new ATOM 0 HB2 MET A 96 -6.288 7.098 -6.270 1.00 0.00 H new ATOM 0 HB3 MET A 96 -4.767 7.968 -6.241 1.00 0.00 H new ATOM 0 HG2 MET A 96 -5.754 9.521 -8.018 1.00 0.00 H new ATOM 0 HG3 MET A 96 -7.295 8.734 -7.741 1.00 0.00 H new ATOM 0 HE1 MET A 96 -6.933 9.897 -3.587 1.00 0.00 H new ATOM 0 HE2 MET A 96 -7.490 8.475 -4.501 1.00 0.00 H new ATOM 0 HE3 MET A 96 -5.748 8.788 -4.318 1.00 0.00 H new ATOM 1054 N VAL A 97 -2.799 6.304 -8.155 1.00 0.00 N ATOM 1055 CA VAL A 97 -1.362 6.512 -8.172 1.00 0.00 C ATOM 1056 C VAL A 97 -0.796 5.637 -9.284 1.00 0.00 C ATOM 1057 O VAL A 97 -0.498 4.457 -9.085 1.00 0.00 O ATOM 1058 CB VAL A 97 -0.744 6.258 -6.783 1.00 0.00 C ATOM 1059 CG1 VAL A 97 0.753 6.602 -6.789 1.00 0.00 C ATOM 1060 CG2 VAL A 97 -1.459 7.058 -5.683 1.00 0.00 C ATOM 0 H VAL A 97 -3.066 5.335 -7.982 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.106 7.549 -8.387 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.870 5.198 -6.562 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.173 6.417 -5.800 1.00 0.00 H new ATOM 0 HG12 VAL A 97 1.266 5.981 -7.523 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.884 7.653 -7.048 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.992 6.850 -4.720 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.383 8.123 -5.900 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.509 6.769 -5.647 1.00 0.00 H new ATOM 1070 N GLN A 98 -0.689 6.214 -10.478 1.00 0.00 N ATOM 1071 CA GLN A 98 -0.048 5.571 -11.607 1.00 0.00 C ATOM 1072 C GLN A 98 1.449 5.460 -11.314 1.00 0.00 C ATOM 1073 O GLN A 98 2.064 6.479 -10.988 1.00 0.00 O ATOM 1074 CB GLN A 98 -0.291 6.427 -12.857 1.00 0.00 C ATOM 1075 CG GLN A 98 -0.162 5.595 -14.138 1.00 0.00 C ATOM 1076 CD GLN A 98 -1.373 4.700 -14.363 1.00 0.00 C ATOM 1077 OE1 GLN A 98 -2.411 5.169 -14.818 1.00 0.00 O ATOM 1078 NE2 GLN A 98 -1.285 3.423 -14.042 1.00 0.00 N ATOM 0 H GLN A 98 -1.049 7.146 -10.684 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.454 4.573 -11.775 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -1.285 6.871 -12.808 1.00 0.00 H new ATOM 0 HB3 GLN A 98 0.424 7.249 -12.882 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.040 6.261 -14.992 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.737 4.981 -14.082 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.413 3.051 -13.665 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -2.089 2.808 -14.171 1.00 0.00 H new ATOM 1087 N ASP A 99 2.029 4.265 -11.488 1.00 0.00 N ATOM 1088 CA ASP A 99 3.413 3.826 -11.208 1.00 0.00 C ATOM 1089 C ASP A 99 3.535 3.148 -9.841 1.00 0.00 C ATOM 1090 O ASP A 99 4.561 2.532 -9.555 1.00 0.00 O ATOM 1091 CB ASP A 99 4.437 4.968 -11.269 1.00 0.00 C ATOM 1092 CG ASP A 99 5.880 4.503 -11.389 1.00 0.00 C ATOM 1093 OD1 ASP A 99 6.744 5.072 -10.689 1.00 0.00 O ATOM 1094 OD2 ASP A 99 6.170 3.730 -12.332 1.00 0.00 O ATOM 0 H ASP A 99 1.483 3.493 -11.871 1.00 0.00 H new ATOM 0 HA ASP A 99 3.639 3.112 -12.000 1.00 0.00 H new ATOM 0 HB2 ASP A 99 4.201 5.608 -12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 99 4.337 5.579 -10.372 1.00 0.00 H new ATOM 1100 N ALA A 100 2.502 3.240 -8.999 1.00 0.00 N ATOM 1101 CA ALA A 100 2.454 2.560 -7.719 1.00 0.00 C ATOM 1102 C ALA A 100 1.684 1.249 -7.836 1.00 0.00 C ATOM 1103 O ALA A 100 0.789 1.110 -8.675 1.00 0.00 O ATOM 1104 CB ALA A 100 1.768 3.469 -6.702 1.00 0.00 C ATOM 0 H ALA A 100 1.671 3.797 -9.197 1.00 0.00 H new ATOM 0 HA ALA A 100 3.470 2.334 -7.395 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.726 2.967 -5.735 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.331 4.397 -6.605 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.756 3.693 -7.038 1.00 0.00 H new ATOM 1110 N THR A 101 1.953 0.331 -6.918 1.00 0.00 N ATOM 1111 CA THR A 101 1.472 -1.042 -6.920 1.00 0.00 C ATOM 1112 C THR A 101 1.435 -1.539 -5.467 1.00 0.00 C ATOM 1113 O THR A 101 2.069 -0.955 -4.581 1.00 0.00 O ATOM 1114 CB THR A 101 2.480 -1.887 -7.729 1.00 0.00 C ATOM 1115 OG1 THR A 101 3.787 -1.597 -7.263 1.00 0.00 O ATOM 1116 CG2 THR A 101 2.404 -1.623 -9.236 1.00 0.00 C ATOM 0 H THR A 101 2.543 0.535 -6.111 1.00 0.00 H new ATOM 0 HA THR A 101 0.477 -1.118 -7.359 1.00 0.00 H new ATOM 0 HB THR A 101 2.230 -2.937 -7.580 1.00 0.00 H new ATOM 0 HG1 THR A 101 4.439 -2.128 -7.766 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.135 -2.245 -9.752 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.404 -1.863 -9.597 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.618 -0.573 -9.433 1.00 0.00 H new ATOM 1124 N ALA A 102 0.734 -2.648 -5.217 1.00 0.00 N ATOM 1125 CA ALA A 102 0.803 -3.433 -3.992 1.00 0.00 C ATOM 1126 C ALA A 102 0.741 -4.923 -4.353 1.00 0.00 C ATOM 1127 O ALA A 102 -0.281 -5.383 -4.865 1.00 0.00 O ATOM 1128 CB ALA A 102 -0.363 -3.022 -3.087 1.00 0.00 C ATOM 0 H ALA A 102 0.077 -3.036 -5.894 1.00 0.00 H new ATOM 0 HA ALA A 102 1.736 -3.253 -3.458 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -0.328 -3.600 -2.163 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.286 -1.960 -2.854 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.306 -3.213 -3.599 1.00 0.00 H new ATOM 1134 N HIS A 103 1.809 -5.681 -4.111 1.00 0.00 N ATOM 1135 CA HIS A 103 1.910 -7.127 -4.325 1.00 0.00 C ATOM 1136 C HIS A 103 2.213 -7.743 -2.962 1.00 0.00 C ATOM 1137 O HIS A 103 3.287 -7.545 -2.394 1.00 0.00 O ATOM 1138 CB HIS A 103 2.995 -7.436 -5.375 1.00 0.00 C ATOM 1139 CG HIS A 103 3.687 -8.786 -5.295 1.00 0.00 C ATOM 1140 ND1 HIS A 103 5.023 -8.993 -5.572 1.00 0.00 N ATOM 1141 CD2 HIS A 103 3.148 -10.006 -4.975 1.00 0.00 C ATOM 1142 CE1 HIS A 103 5.281 -10.304 -5.431 1.00 0.00 C ATOM 1143 NE2 HIS A 103 4.166 -10.956 -5.072 1.00 0.00 N ATOM 0 H HIS A 103 2.673 -5.284 -3.741 1.00 0.00 H new ATOM 0 HA HIS A 103 0.987 -7.551 -4.721 1.00 0.00 H new ATOM 0 HB2 HIS A 103 2.541 -7.349 -6.362 1.00 0.00 H new ATOM 0 HB3 HIS A 103 3.759 -6.662 -5.306 1.00 0.00 H new ATOM 0 HD2 HIS A 103 2.122 -10.197 -4.698 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.245 -10.765 -5.584 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.078 -11.958 -4.902 1.00 0.00 H new ATOM 1152 N LEU A 104 1.240 -8.462 -2.414 1.00 0.00 N ATOM 1153 CA LEU A 104 1.419 -9.310 -1.252 1.00 0.00 C ATOM 1154 C LEU A 104 2.069 -10.581 -1.772 1.00 0.00 C ATOM 1155 O LEU A 104 1.398 -11.405 -2.387 1.00 0.00 O ATOM 1156 CB LEU A 104 0.074 -9.545 -0.567 1.00 0.00 C ATOM 1157 CG LEU A 104 0.029 -10.661 0.487 1.00 0.00 C ATOM 1158 CD1 LEU A 104 -0.681 -11.925 -0.012 1.00 0.00 C ATOM 1159 CD2 LEU A 104 1.298 -10.902 1.286 1.00 0.00 C ATOM 0 H LEU A 104 0.287 -8.469 -2.776 1.00 0.00 H new ATOM 0 HA LEU A 104 2.053 -8.864 -0.486 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -0.234 -8.614 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.666 -9.771 -1.335 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.615 -10.250 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.681 -12.678 0.776 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -1.709 -11.682 -0.282 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.159 -12.315 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.133 -11.714 1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.109 -11.170 0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.564 -9.995 1.829 1.00 0.00 H new ATOM 1171 N ASP A 105 3.369 -10.702 -1.548 1.00 0.00 N ATOM 1172 CA ASP A 105 4.135 -11.923 -1.715 1.00 0.00 C ATOM 1173 C ASP A 105 3.912 -12.777 -0.467 1.00 0.00 C ATOM 1174 O ASP A 105 4.668 -12.669 0.512 1.00 0.00 O ATOM 1175 CB ASP A 105 5.627 -11.592 -1.863 1.00 0.00 C ATOM 1176 CG ASP A 105 6.420 -12.741 -2.478 1.00 0.00 C ATOM 1177 OD1 ASP A 105 7.472 -12.440 -3.084 1.00 0.00 O ATOM 1178 OD2 ASP A 105 6.035 -13.926 -2.306 1.00 0.00 O ATOM 0 H ASP A 105 3.940 -9.918 -1.232 1.00 0.00 H new ATOM 0 HA ASP A 105 3.816 -12.457 -2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 105 5.739 -10.703 -2.484 1.00 0.00 H new ATOM 0 HB3 ASP A 105 6.042 -11.351 -0.884 1.00 0.00 H new ATOM 1184 N VAL A 106 2.818 -13.547 -0.403 1.00 0.00 N ATOM 1185 CA VAL A 106 2.561 -14.367 0.774 1.00 0.00 C ATOM 1186 C VAL A 106 3.718 -15.329 1.014 1.00 0.00 C ATOM 1187 O VAL A 106 4.079 -15.553 2.170 1.00 0.00 O ATOM 1188 CB VAL A 106 1.190 -15.068 0.696 1.00 0.00 C ATOM 1189 CG1 VAL A 106 1.188 -16.468 0.063 1.00 0.00 C ATOM 1190 CG2 VAL A 106 0.586 -15.117 2.105 1.00 0.00 C ATOM 0 H VAL A 106 2.114 -13.615 -1.138 1.00 0.00 H new ATOM 0 HA VAL A 106 2.503 -13.716 1.646 1.00 0.00 H new ATOM 0 HB VAL A 106 0.585 -14.470 0.014 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.173 -16.865 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.555 -16.405 -0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.835 -17.129 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.385 -15.610 2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.250 -15.673 2.766 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.463 -14.102 2.484 1.00 0.00 H new ATOM 1200 N GLY A 107 4.354 -15.832 -0.049 1.00 0.00 N ATOM 1201 CA GLY A 107 5.468 -16.747 0.086 1.00 0.00 C ATOM 1202 C GLY A 107 6.583 -16.145 0.935 1.00 0.00 C ATOM 1203 O GLY A 107 7.158 -16.851 1.767 1.00 0.00 O ATOM 0 H GLY A 107 4.107 -15.613 -1.014 1.00 0.00 H new ATOM 0 HA2 GLY A 107 5.124 -17.676 0.540 1.00 0.00 H new ATOM 0 HA3 GLY A 107 5.856 -16.999 -0.901 1.00 0.00 H new ATOM 1207 N GLN A 108 6.850 -14.846 0.769 1.00 0.00 N ATOM 1208 CA GLN A 108 7.919 -14.155 1.480 1.00 0.00 C ATOM 1209 C GLN A 108 7.427 -13.388 2.706 1.00 0.00 C ATOM 1210 O GLN A 108 8.231 -12.758 3.398 1.00 0.00 O ATOM 1211 CB GLN A 108 8.705 -13.258 0.504 1.00 0.00 C ATOM 1212 CG GLN A 108 9.224 -14.000 -0.739 1.00 0.00 C ATOM 1213 CD GLN A 108 9.838 -15.351 -0.412 1.00 0.00 C ATOM 1214 OE1 GLN A 108 9.226 -16.393 -0.595 1.00 0.00 O ATOM 1215 NE2 GLN A 108 11.036 -15.385 0.135 1.00 0.00 N ATOM 0 H GLN A 108 6.325 -14.245 0.133 1.00 0.00 H new ATOM 0 HA GLN A 108 8.596 -14.912 1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.064 -12.436 0.184 1.00 0.00 H new ATOM 0 HB3 GLN A 108 9.550 -12.816 1.032 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.402 -14.141 -1.440 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.968 -13.381 -1.240 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.551 -14.518 0.290 1.00 0.00 H new ATOM 0 HE22 GLN A 108 11.449 -16.278 0.404 1.00 0.00 H new ATOM 1224 N GLN A 109 6.129 -13.449 3.011 1.00 0.00 N ATOM 1225 CA GLN A 109 5.451 -12.537 3.914 1.00 0.00 C ATOM 1226 C GLN A 109 5.836 -11.084 3.602 1.00 0.00 C ATOM 1227 O GLN A 109 6.121 -10.303 4.512 1.00 0.00 O ATOM 1228 CB GLN A 109 5.667 -12.906 5.396 1.00 0.00 C ATOM 1229 CG GLN A 109 5.013 -14.227 5.798 1.00 0.00 C ATOM 1230 CD GLN A 109 4.613 -14.257 7.279 1.00 0.00 C ATOM 1231 OE1 GLN A 109 5.339 -14.733 8.151 1.00 0.00 O ATOM 1232 NE2 GLN A 109 3.462 -13.712 7.635 1.00 0.00 N ATOM 0 H GLN A 109 5.508 -14.158 2.621 1.00 0.00 H new ATOM 0 HA GLN A 109 4.379 -12.636 3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 109 6.737 -12.964 5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.269 -12.108 6.022 1.00 0.00 H new ATOM 0 HG2 GLN A 109 4.129 -14.393 5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 109 5.702 -15.047 5.594 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.846 -13.312 6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.190 -13.691 8.618 1.00 0.00 H new ATOM 1241 N ARG A 110 5.861 -10.713 2.320 1.00 0.00 N ATOM 1242 CA ARG A 110 6.365 -9.417 1.897 1.00 0.00 C ATOM 1243 C ARG A 110 5.314 -8.702 1.081 1.00 0.00 C ATOM 1244 O ARG A 110 5.072 -9.055 -0.066 1.00 0.00 O ATOM 1245 CB ARG A 110 7.706 -9.564 1.175 1.00 0.00 C ATOM 1246 CG ARG A 110 8.319 -8.158 1.053 1.00 0.00 C ATOM 1247 CD ARG A 110 9.276 -7.999 -0.120 1.00 0.00 C ATOM 1248 NE ARG A 110 10.685 -8.112 0.254 1.00 0.00 N ATOM 1249 CZ ARG A 110 11.695 -7.856 -0.582 1.00 0.00 C ATOM 1250 NH1 ARG A 110 11.461 -7.527 -1.852 1.00 0.00 N ATOM 1251 NH2 ARG A 110 12.931 -7.917 -0.116 1.00 0.00 N ATOM 0 H ARG A 110 5.533 -11.303 1.555 1.00 0.00 H new ATOM 0 HA ARG A 110 6.566 -8.795 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 110 8.371 -10.226 1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 110 7.565 -10.008 0.190 1.00 0.00 H new ATOM 0 HG2 ARG A 110 7.514 -7.430 0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 110 8.849 -7.923 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 110 9.046 -8.755 -0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 110 9.109 -7.027 -0.585 1.00 0.00 H new ATOM 0 HE ARG A 110 10.909 -8.402 1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 110 10.502 -7.468 -2.195 1.00 0.00 H new ATOM 0 HH12 ARG A 110 12.241 -7.334 -2.481 1.00 0.00 H new ATOM 0 HH21 ARG A 110 13.096 -8.155 0.862 1.00 0.00 H new ATOM 0 HH22 ARG A 110 13.719 -7.726 -0.734 1.00 0.00 H new ATOM 1265 N LEU A 111 4.695 -7.678 1.659 1.00 0.00 N ATOM 1266 CA LEU A 111 3.856 -6.771 0.902 1.00 0.00 C ATOM 1267 C LEU A 111 4.770 -5.778 0.186 1.00 0.00 C ATOM 1268 O LEU A 111 4.996 -4.659 0.651 1.00 0.00 O ATOM 1269 CB LEU A 111 2.779 -6.169 1.807 1.00 0.00 C ATOM 1270 CG LEU A 111 1.884 -5.119 1.142 1.00 0.00 C ATOM 1271 CD1 LEU A 111 1.329 -5.554 -0.221 1.00 0.00 C ATOM 1272 CD2 LEU A 111 0.700 -4.823 2.066 1.00 0.00 C ATOM 0 H LEU A 111 4.762 -7.459 2.653 1.00 0.00 H new ATOM 0 HA LEU A 111 3.284 -7.275 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.149 -6.976 2.182 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.264 -5.715 2.671 1.00 0.00 H new ATOM 0 HG LEU A 111 2.507 -4.241 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 111 0.705 -4.759 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.155 -5.754 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.732 -6.458 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.055 -4.076 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.132 -5.738 2.235 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.068 -4.444 3.019 1.00 0.00 H new ATOM 1284 N ASN A 112 5.324 -6.235 -0.940 1.00 0.00 N ATOM 1285 CA ASN A 112 6.064 -5.422 -1.892 1.00 0.00 C ATOM 1286 C ASN A 112 5.152 -4.278 -2.314 1.00 0.00 C ATOM 1287 O ASN A 112 3.989 -4.494 -2.667 1.00 0.00 O ATOM 1288 CB ASN A 112 6.449 -6.212 -3.155 1.00 0.00 C ATOM 1289 CG ASN A 112 7.643 -7.147 -3.009 1.00 0.00 C ATOM 1290 OD1 ASN A 112 8.790 -6.697 -2.954 1.00 0.00 O ATOM 1291 ND2 ASN A 112 7.404 -8.447 -2.925 1.00 0.00 N ATOM 0 H ASN A 112 5.264 -7.215 -1.218 1.00 0.00 H new ATOM 0 HA ASN A 112 6.983 -5.078 -1.417 1.00 0.00 H new ATOM 0 HB2 ASN A 112 5.587 -6.799 -3.471 1.00 0.00 H new ATOM 0 HB3 ASN A 112 6.662 -5.503 -3.955 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.178 -9.102 -2.812 1.00 0.00 H new ATOM 0 HD22 ASN A 112 6.446 -8.794 -2.973 1.00 0.00 H new ATOM 1298 N LEU A 113 5.672 -3.062 -2.270 1.00 0.00 N ATOM 1299 CA LEU A 113 4.954 -1.851 -2.600 1.00 0.00 C ATOM 1300 C LEU A 113 5.914 -0.929 -3.346 1.00 0.00 C ATOM 1301 O LEU A 113 7.133 -0.973 -3.144 1.00 0.00 O ATOM 1302 CB LEU A 113 4.446 -1.198 -1.290 1.00 0.00 C ATOM 1303 CG LEU A 113 2.917 -1.021 -1.248 1.00 0.00 C ATOM 1304 CD1 LEU A 113 2.169 -2.061 -0.431 1.00 0.00 C ATOM 1305 CD2 LEU A 113 2.476 0.408 -0.939 1.00 0.00 C ATOM 0 H LEU A 113 6.639 -2.890 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 113 4.090 -2.055 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.757 -1.810 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 113 4.921 -0.224 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 113 2.611 -1.218 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.100 -1.850 -0.464 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.356 -3.052 -0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.514 -2.029 0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 113 1.387 0.458 -0.926 1.00 0.00 H new ATOM 0 HD22 LEU A 113 2.865 0.706 0.035 1.00 0.00 H new ATOM 0 HD23 LEU A 113 2.861 1.081 -1.705 1.00 0.00 H new ATOM 1317 N THR A 114 5.376 -0.040 -4.163 1.00 0.00 N ATOM 1318 CA THR A 114 6.141 0.984 -4.858 1.00 0.00 C ATOM 1319 C THR A 114 5.219 2.182 -4.995 1.00 0.00 C ATOM 1320 O THR A 114 4.001 2.008 -5.074 1.00 0.00 O ATOM 1321 CB THR A 114 6.546 0.460 -6.252 1.00 0.00 C ATOM 1322 OG1 THR A 114 7.171 -0.815 -6.186 1.00 0.00 O ATOM 1323 CG2 THR A 114 7.494 1.412 -6.981 1.00 0.00 C ATOM 0 H THR A 114 4.377 -0.008 -4.366 1.00 0.00 H new ATOM 0 HA THR A 114 7.051 1.249 -4.319 1.00 0.00 H new ATOM 0 HB THR A 114 5.611 0.383 -6.806 1.00 0.00 H new ATOM 0 HG1 THR A 114 7.409 -1.110 -7.090 1.00 0.00 H new ATOM 0 HG21 THR A 114 7.748 0.997 -7.956 1.00 0.00 H new ATOM 0 HG22 THR A 114 7.008 2.379 -7.114 1.00 0.00 H new ATOM 0 HG23 THR A 114 8.403 1.541 -6.394 1.00 0.00 H new ATOM 1331 N ILE A 115 5.795 3.382 -5.040 1.00 0.00 N ATOM 1332 CA ILE A 115 5.126 4.610 -5.440 1.00 0.00 C ATOM 1333 C ILE A 115 6.137 5.390 -6.309 1.00 0.00 C ATOM 1334 O ILE A 115 7.348 5.165 -6.209 1.00 0.00 O ATOM 1335 CB ILE A 115 4.548 5.305 -4.162 1.00 0.00 C ATOM 1336 CG1 ILE A 115 3.337 4.583 -3.544 1.00 0.00 C ATOM 1337 CG2 ILE A 115 4.273 6.812 -4.279 1.00 0.00 C ATOM 1338 CD1 ILE A 115 2.789 5.302 -2.312 1.00 0.00 C ATOM 0 H ILE A 115 6.773 3.527 -4.790 1.00 0.00 H new ATOM 0 HA ILE A 115 4.243 4.486 -6.067 1.00 0.00 H new ATOM 0 HB ILE A 115 5.386 5.210 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 115 2.548 4.499 -4.292 1.00 0.00 H new ATOM 0 HG13 ILE A 115 3.625 3.568 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 115 3.875 7.184 -3.335 1.00 0.00 H new ATOM 0 HG22 ILE A 115 5.201 7.334 -4.513 1.00 0.00 H new ATOM 0 HG23 ILE A 115 3.547 6.989 -5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 115 1.936 4.749 -1.917 1.00 0.00 H new ATOM 0 HD12 ILE A 115 3.566 5.362 -1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 115 2.473 6.308 -2.588 1.00 0.00 H new ATOM 1350 N PRO A 116 5.664 6.274 -7.199 1.00 0.00 N ATOM 1351 CA PRO A 116 6.488 7.221 -7.931 1.00 0.00 C ATOM 1352 C PRO A 116 7.046 8.308 -7.006 1.00 0.00 C ATOM 1353 O PRO A 116 6.357 8.799 -6.112 1.00 0.00 O ATOM 1354 CB PRO A 116 5.559 7.840 -8.972 1.00 0.00 C ATOM 1355 CG PRO A 116 4.164 7.653 -8.396 1.00 0.00 C ATOM 1356 CD PRO A 116 4.283 6.362 -7.626 1.00 0.00 C ATOM 0 HA PRO A 116 7.350 6.729 -8.383 1.00 0.00 H new ATOM 0 HB2 PRO A 116 5.786 8.895 -9.129 1.00 0.00 H new ATOM 0 HB3 PRO A 116 5.659 7.345 -9.938 1.00 0.00 H new ATOM 0 HG2 PRO A 116 3.880 8.483 -7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.410 7.587 -9.180 1.00 0.00 H new ATOM 0 HD2 PRO A 116 3.609 6.356 -6.769 1.00 0.00 H new ATOM 0 HD3 PRO A 116 4.013 5.510 -8.250 1.00 0.00 H new ATOM 1364 N GLN A 117 8.271 8.761 -7.274 1.00 0.00 N ATOM 1365 CA GLN A 117 8.962 9.772 -6.458 1.00 0.00 C ATOM 1366 C GLN A 117 8.168 11.078 -6.328 1.00 0.00 C ATOM 1367 O GLN A 117 8.248 11.747 -5.302 1.00 0.00 O ATOM 1368 CB GLN A 117 10.374 10.053 -6.992 1.00 0.00 C ATOM 1369 CG GLN A 117 11.424 9.087 -6.425 1.00 0.00 C ATOM 1370 CD GLN A 117 11.635 9.238 -4.912 1.00 0.00 C ATOM 1371 OE1 GLN A 117 12.066 10.280 -4.426 1.00 0.00 O ATOM 1372 NE2 GLN A 117 11.344 8.218 -4.126 1.00 0.00 N ATOM 0 H GLN A 117 8.820 8.436 -8.070 1.00 0.00 H new ATOM 0 HA GLN A 117 9.045 9.347 -5.458 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.368 9.980 -8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 117 10.655 11.076 -6.743 1.00 0.00 H new ATOM 0 HG2 GLN A 117 11.120 8.063 -6.642 1.00 0.00 H new ATOM 0 HG3 GLN A 117 12.373 9.253 -6.935 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.986 7.351 -4.527 1.00 0.00 H new ATOM 0 HE22 GLN A 117 11.477 8.297 -3.118 1.00 0.00 H new ATOM 1381 N ALA A 118 7.357 11.410 -7.328 1.00 0.00 N ATOM 1382 CA ALA A 118 6.472 12.562 -7.314 1.00 0.00 C ATOM 1383 C ALA A 118 5.477 12.557 -6.144 1.00 0.00 C ATOM 1384 O ALA A 118 5.072 13.627 -5.683 1.00 0.00 O ATOM 1385 CB ALA A 118 5.729 12.565 -8.647 1.00 0.00 C ATOM 0 H ALA A 118 7.298 10.869 -8.191 1.00 0.00 H new ATOM 0 HA ALA A 118 7.069 13.464 -7.176 1.00 0.00 H new ATOM 0 HB1 ALA A 118 5.049 13.416 -8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.447 12.639 -9.464 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.159 11.641 -8.748 1.00 0.00 H new ATOM 1391 N PHE A 119 5.063 11.390 -5.630 1.00 0.00 N ATOM 1392 CA PHE A 119 4.027 11.334 -4.617 1.00 0.00 C ATOM 1393 C PHE A 119 4.736 11.131 -3.262 1.00 0.00 C ATOM 1394 O PHE A 119 4.224 10.438 -2.387 1.00 0.00 O ATOM 1395 CB PHE A 119 3.059 10.188 -4.996 1.00 0.00 C ATOM 1396 CG PHE A 119 2.172 10.320 -6.242 1.00 0.00 C ATOM 1397 CD1 PHE A 119 2.688 10.642 -7.512 1.00 0.00 C ATOM 1398 CD2 PHE A 119 0.805 9.989 -6.163 1.00 0.00 C ATOM 1399 CE1 PHE A 119 1.875 10.615 -8.659 1.00 0.00 C ATOM 1400 CE2 PHE A 119 -0.023 10.001 -7.308 1.00 0.00 C ATOM 1401 CZ PHE A 119 0.517 10.281 -8.569 1.00 0.00 C ATOM 0 H PHE A 119 5.435 10.481 -5.905 1.00 0.00 H new ATOM 0 HA PHE A 119 3.429 12.243 -4.546 1.00 0.00 H new ATOM 0 HB2 PHE A 119 3.656 9.284 -5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 119 2.400 10.024 -4.144 1.00 0.00 H new ATOM 0 HD1 PHE A 119 3.729 10.915 -7.607 1.00 0.00 H new ATOM 0 HD2 PHE A 119 0.381 9.720 -5.207 1.00 0.00 H new ATOM 0 HE1 PHE A 119 2.303 10.855 -9.621 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -1.078 9.793 -7.210 1.00 0.00 H new ATOM 0 HZ PHE A 119 -0.100 10.240 -9.454 1.00 0.00 H new ATOM 1411 N MET A 120 5.895 11.756 -3.024 1.00 0.00 N ATOM 1412 CA MET A 120 6.729 11.500 -1.849 1.00 0.00 C ATOM 1413 C MET A 120 7.095 12.827 -1.221 1.00 0.00 C ATOM 1414 O MET A 120 7.718 13.676 -1.865 1.00 0.00 O ATOM 1415 CB MET A 120 7.983 10.697 -2.213 1.00 0.00 C ATOM 1416 CG MET A 120 7.634 9.331 -2.783 1.00 0.00 C ATOM 1417 SD MET A 120 8.128 8.024 -1.643 1.00 0.00 S ATOM 1418 CE MET A 120 6.620 7.961 -0.655 1.00 0.00 C ATOM 0 H MET A 120 6.283 12.461 -3.650 1.00 0.00 H new ATOM 0 HA MET A 120 6.169 10.897 -1.135 1.00 0.00 H new ATOM 0 HB2 MET A 120 8.573 11.254 -2.941 1.00 0.00 H new ATOM 0 HB3 MET A 120 8.605 10.573 -1.327 1.00 0.00 H new ATOM 0 HG2 MET A 120 6.562 9.272 -2.970 1.00 0.00 H new ATOM 0 HG3 MET A 120 8.133 9.193 -3.742 1.00 0.00 H new ATOM 0 HE1 MET A 120 6.774 7.306 0.203 1.00 0.00 H new ATOM 0 HE2 MET A 120 6.371 8.963 -0.307 1.00 0.00 H new ATOM 0 HE3 MET A 120 5.802 7.575 -1.264 1.00 0.00 H new ATOM 1428 N SER A 121 6.657 13.022 0.017 1.00 0.00 N ATOM 1429 CA SER A 121 6.843 14.276 0.731 1.00 0.00 C ATOM 1430 C SER A 121 8.321 14.476 1.081 1.00 0.00 C ATOM 1431 O SER A 121 8.827 15.592 0.995 1.00 0.00 O ATOM 1432 CB SER A 121 6.002 14.270 2.011 1.00 0.00 C ATOM 1433 OG SER A 121 4.715 13.723 1.810 1.00 0.00 O ATOM 0 H SER A 121 6.161 12.311 0.555 1.00 0.00 H new ATOM 0 HA SER A 121 6.522 15.097 0.090 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.521 13.697 2.780 1.00 0.00 H new ATOM 0 HB3 SER A 121 5.906 15.290 2.383 1.00 0.00 H new ATOM 0 HG SER A 121 4.217 13.739 2.654 1.00 0.00 H new