USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 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 15 ASN : amide:sc= 0.569 K(o=1.1,f=-2.3) USER MOD Set 1.2: A 18 LYS NZ :NH3+ -127:sc= 0.563 (180deg=-0.0697) USER MOD Single : A 8 ASN : amide:sc= -0.0136 K(o=-0.014,f=-1.1) USER MOD Single : A 9 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 54:sc= 1.18 USER MOD Single : A 16 LYS NZ :NH3+ -156:sc= 1.23 (180deg=1.06) USER MOD Single : A 19 THR OG1 : rot 76:sc= 1.09 USER MOD Single : A 24 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.39) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.834 X(o=-0.83,f=-1.3) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.022 X(o=-0.022,f=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -0.786 K(o=-0.79,f=-1.6) USER MOD Single : A 69 GLN : amide:sc= 1 K(o=1,f=-4.4!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 201 ASN : amide:sc= 0.151 K(o=0.15,f=-5!) USER MOD Single : B 203 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 204 MET CE :methyl 180:sc=-0.00132 (180deg=-0.00132) USER MOD Single : B 211 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N VAL A 5 34.844 44.451 39.866 1.00 0.00 N ATOM 53 CA VAL A 5 35.490 43.352 40.514 1.00 0.00 C ATOM 54 C VAL A 5 35.307 42.106 39.719 1.00 0.00 C ATOM 55 O VAL A 5 36.254 41.396 39.387 1.00 0.00 O ATOM 56 CB VAL A 5 34.929 43.211 41.899 1.00 0.00 C ATOM 57 CG1 VAL A 5 35.436 41.933 42.589 1.00 0.00 C ATOM 58 CG2 VAL A 5 35.366 44.457 42.687 1.00 0.00 C ATOM 0 HA VAL A 5 36.562 43.535 40.587 1.00 0.00 H new ATOM 0 HB VAL A 5 33.843 43.130 41.857 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.008 41.866 43.589 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.136 41.062 42.007 1.00 0.00 H new ATOM 0 HG13 VAL A 5 36.523 41.965 42.661 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.979 44.398 43.704 1.00 0.00 H new ATOM 0 HG22 VAL A 5 36.455 44.507 42.715 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.974 45.351 42.201 1.00 0.00 H new ATOM 68 N GLU A 6 34.055 41.805 39.326 1.00 0.00 N ATOM 69 CA GLU A 6 33.738 40.616 38.599 1.00 0.00 C ATOM 70 C GLU A 6 34.177 40.647 37.176 1.00 0.00 C ATOM 71 O GLU A 6 34.386 39.601 36.562 1.00 0.00 O ATOM 72 CB GLU A 6 32.240 40.282 38.708 1.00 0.00 C ATOM 73 CG GLU A 6 31.923 39.573 40.027 1.00 0.00 C ATOM 74 CD GLU A 6 30.436 39.566 40.350 1.00 0.00 C ATOM 75 OE1 GLU A 6 29.626 40.137 39.572 1.00 0.00 O ATOM 76 OE2 GLU A 6 30.079 39.050 41.442 1.00 0.00 O ATOM 0 H GLU A 6 33.249 42.399 39.517 1.00 0.00 H new ATOM 0 HA GLU A 6 34.312 39.818 39.071 1.00 0.00 H new ATOM 0 HB2 GLU A 6 31.655 41.199 38.636 1.00 0.00 H new ATOM 0 HB3 GLU A 6 31.945 39.648 37.872 1.00 0.00 H new ATOM 0 HG2 GLU A 6 32.284 38.546 39.978 1.00 0.00 H new ATOM 0 HG3 GLU A 6 32.464 40.063 40.837 1.00 0.00 H new ATOM 83 N PHE A 7 34.439 41.848 36.632 1.00 0.00 N ATOM 84 CA PHE A 7 35.135 41.962 35.388 1.00 0.00 C ATOM 85 C PHE A 7 36.506 41.389 35.503 1.00 0.00 C ATOM 86 O PHE A 7 36.902 40.555 34.691 1.00 0.00 O ATOM 87 CB PHE A 7 35.135 43.426 34.916 1.00 0.00 C ATOM 88 CG PHE A 7 35.571 43.694 33.517 1.00 0.00 C ATOM 89 CD1 PHE A 7 35.773 42.728 32.558 1.00 0.00 C ATOM 90 CD2 PHE A 7 35.766 45.011 33.170 1.00 0.00 C ATOM 91 CE1 PHE A 7 36.204 43.064 31.296 1.00 0.00 C ATOM 92 CE2 PHE A 7 36.197 45.361 31.912 1.00 0.00 C ATOM 93 CZ PHE A 7 36.422 44.382 30.972 1.00 0.00 C ATOM 0 H PHE A 7 34.170 42.738 37.052 1.00 0.00 H new ATOM 0 HA PHE A 7 34.618 41.381 34.624 1.00 0.00 H new ATOM 0 HB2 PHE A 7 34.125 43.819 35.035 1.00 0.00 H new ATOM 0 HB3 PHE A 7 35.780 43.996 35.585 1.00 0.00 H new ATOM 0 HD1 PHE A 7 35.590 41.691 32.800 1.00 0.00 H new ATOM 0 HD2 PHE A 7 35.577 45.785 33.900 1.00 0.00 H new ATOM 0 HE1 PHE A 7 36.371 42.292 30.559 1.00 0.00 H new ATOM 0 HE2 PHE A 7 36.358 46.399 31.663 1.00 0.00 H new ATOM 0 HZ PHE A 7 36.768 44.648 29.984 1.00 0.00 H new ATOM 103 N ASN A 8 37.232 41.719 36.586 1.00 0.00 N ATOM 104 CA ASN A 8 38.595 41.373 36.846 1.00 0.00 C ATOM 105 C ASN A 8 38.726 39.959 37.298 1.00 0.00 C ATOM 106 O ASN A 8 39.735 39.297 37.063 1.00 0.00 O ATOM 107 CB ASN A 8 39.148 42.362 37.887 1.00 0.00 C ATOM 108 CG ASN A 8 40.670 42.404 37.921 1.00 0.00 C ATOM 109 OD1 ASN A 8 41.361 42.052 36.966 1.00 0.00 O ATOM 110 ND2 ASN A 8 41.227 42.885 39.064 1.00 0.00 N ATOM 0 H ASN A 8 36.830 42.274 37.342 1.00 0.00 H new ATOM 0 HA ASN A 8 39.177 41.447 35.927 1.00 0.00 H new ATOM 0 HB2 ASN A 8 38.768 43.360 37.669 1.00 0.00 H new ATOM 0 HB3 ASN A 8 38.776 42.087 38.874 1.00 0.00 H new ATOM 0 HD21 ASN A 8 42.241 42.961 39.144 1.00 0.00 H new ATOM 0 HD22 ASN A 8 40.631 43.170 39.841 1.00 0.00 H new ATOM 117 N ASN A 9 37.681 39.391 37.925 1.00 0.00 N ATOM 118 CA ASN A 9 37.655 38.011 38.297 1.00 0.00 C ATOM 119 C ASN A 9 37.370 37.134 37.127 1.00 0.00 C ATOM 120 O ASN A 9 37.798 35.981 37.096 1.00 0.00 O ATOM 121 CB ASN A 9 36.679 37.721 39.450 1.00 0.00 C ATOM 122 CG ASN A 9 37.323 38.123 40.770 1.00 0.00 C ATOM 123 OD1 ASN A 9 37.862 37.284 41.488 1.00 0.00 O ATOM 124 ND2 ASN A 9 37.321 39.442 41.100 1.00 0.00 N ATOM 0 H ASN A 9 36.835 39.902 38.179 1.00 0.00 H new ATOM 0 HA ASN A 9 38.655 37.778 38.663 1.00 0.00 H new ATOM 0 HB2 ASN A 9 35.750 38.273 39.303 1.00 0.00 H new ATOM 0 HB3 ASN A 9 36.422 36.662 39.466 1.00 0.00 H new ATOM 0 HD21 ASN A 9 37.773 39.753 41.959 1.00 0.00 H new ATOM 0 HD22 ASN A 9 36.867 40.120 40.488 1.00 0.00 H new ATOM 131 N ALA A 10 36.717 37.655 36.073 1.00 0.00 N ATOM 132 CA ALA A 10 36.717 37.017 34.792 1.00 0.00 C ATOM 133 C ALA A 10 38.075 37.027 34.178 1.00 0.00 C ATOM 134 O ALA A 10 38.567 35.988 33.738 1.00 0.00 O ATOM 135 CB ALA A 10 35.665 37.621 33.847 1.00 0.00 C ATOM 0 H ALA A 10 36.185 38.525 36.108 1.00 0.00 H new ATOM 0 HA ALA A 10 36.437 35.976 34.954 1.00 0.00 H new ATOM 0 HB1 ALA A 10 35.700 37.107 32.887 1.00 0.00 H new ATOM 0 HB2 ALA A 10 34.673 37.505 34.285 1.00 0.00 H new ATOM 0 HB3 ALA A 10 35.874 38.680 33.699 1.00 0.00 H new ATOM 141 N ILE A 11 38.788 38.167 34.188 1.00 0.00 N ATOM 142 CA ILE A 11 40.118 38.310 33.684 1.00 0.00 C ATOM 143 C ILE A 11 41.098 37.357 34.279 1.00 0.00 C ATOM 144 O ILE A 11 41.879 36.710 33.583 1.00 0.00 O ATOM 145 CB ILE A 11 40.704 39.671 33.917 1.00 0.00 C ATOM 146 CG1 ILE A 11 39.807 40.827 33.439 1.00 0.00 C ATOM 147 CG2 ILE A 11 42.042 39.847 33.180 1.00 0.00 C ATOM 148 CD1 ILE A 11 39.209 40.657 32.044 1.00 0.00 C ATOM 0 H ILE A 11 38.415 39.037 34.569 1.00 0.00 H new ATOM 0 HA ILE A 11 39.980 38.113 32.621 1.00 0.00 H new ATOM 0 HB ILE A 11 40.822 39.719 35.000 1.00 0.00 H new ATOM 0 HG12 ILE A 11 38.992 40.952 34.153 1.00 0.00 H new ATOM 0 HG13 ILE A 11 40.390 41.748 33.457 1.00 0.00 H new ATOM 0 HG21 ILE A 11 42.435 40.845 33.373 1.00 0.00 H new ATOM 0 HG22 ILE A 11 42.754 39.102 33.535 1.00 0.00 H new ATOM 0 HG23 ILE A 11 41.887 39.719 32.109 1.00 0.00 H new ATOM 0 HD11 ILE A 11 38.595 41.525 31.803 1.00 0.00 H new ATOM 0 HD12 ILE A 11 40.012 40.567 31.312 1.00 0.00 H new ATOM 0 HD13 ILE A 11 38.593 39.758 32.019 1.00 0.00 H new ATOM 160 N SER A 12 41.073 37.227 35.618 1.00 0.00 N ATOM 161 CA SER A 12 41.940 36.364 36.357 1.00 0.00 C ATOM 162 C SER A 12 41.762 34.916 36.054 1.00 0.00 C ATOM 163 O SER A 12 42.692 34.121 36.181 1.00 0.00 O ATOM 164 CB SER A 12 41.836 36.607 37.872 1.00 0.00 C ATOM 165 OG SER A 12 43.010 36.180 38.545 1.00 0.00 O ATOM 0 H SER A 12 40.422 37.744 36.209 1.00 0.00 H new ATOM 0 HA SER A 12 42.943 36.629 36.023 1.00 0.00 H new ATOM 0 HB2 SER A 12 41.671 37.668 38.062 1.00 0.00 H new ATOM 0 HB3 SER A 12 40.972 36.074 38.269 1.00 0.00 H new ATOM 0 HG SER A 12 42.916 36.348 39.506 1.00 0.00 H new ATOM 171 N TYR A 13 40.576 34.501 35.574 1.00 0.00 N ATOM 172 CA TYR A 13 40.333 33.198 35.037 1.00 0.00 C ATOM 173 C TYR A 13 40.991 33.021 33.712 1.00 0.00 C ATOM 174 O TYR A 13 41.739 32.069 33.497 1.00 0.00 O ATOM 175 CB TYR A 13 38.821 32.931 34.950 1.00 0.00 C ATOM 176 CG TYR A 13 38.417 31.553 34.553 1.00 0.00 C ATOM 177 CD1 TYR A 13 39.189 30.436 34.773 1.00 0.00 C ATOM 178 CD2 TYR A 13 37.208 31.407 33.915 1.00 0.00 C ATOM 179 CE1 TYR A 13 38.775 29.201 34.333 1.00 0.00 C ATOM 180 CE2 TYR A 13 36.796 30.183 33.440 1.00 0.00 C ATOM 181 CZ TYR A 13 37.589 29.080 33.647 1.00 0.00 C ATOM 182 OH TYR A 13 37.187 27.813 33.174 1.00 0.00 O ATOM 0 H TYR A 13 39.750 35.100 35.560 1.00 0.00 H new ATOM 0 HA TYR A 13 40.773 32.465 35.713 1.00 0.00 H new ATOM 0 HB2 TYR A 13 38.378 33.151 35.921 1.00 0.00 H new ATOM 0 HB3 TYR A 13 38.390 33.633 34.236 1.00 0.00 H new ATOM 0 HD1 TYR A 13 40.129 30.530 35.296 1.00 0.00 H new ATOM 0 HD2 TYR A 13 36.570 32.269 33.784 1.00 0.00 H new ATOM 0 HE1 TYR A 13 39.380 28.327 34.526 1.00 0.00 H new ATOM 0 HE2 TYR A 13 35.859 30.090 32.910 1.00 0.00 H new ATOM 0 HH TYR A 13 37.187 27.172 33.915 1.00 0.00 H new ATOM 192 N VAL A 14 40.800 33.956 32.764 1.00 0.00 N ATOM 193 CA VAL A 14 41.421 33.976 31.477 1.00 0.00 C ATOM 194 C VAL A 14 42.910 34.007 31.541 1.00 0.00 C ATOM 195 O VAL A 14 43.607 33.293 30.821 1.00 0.00 O ATOM 196 CB VAL A 14 40.929 35.153 30.688 1.00 0.00 C ATOM 197 CG1 VAL A 14 41.403 35.085 29.227 1.00 0.00 C ATOM 198 CG2 VAL A 14 39.393 35.121 30.641 1.00 0.00 C ATOM 0 H VAL A 14 40.172 34.747 32.907 1.00 0.00 H new ATOM 0 HA VAL A 14 41.143 33.044 30.985 1.00 0.00 H new ATOM 0 HB VAL A 14 41.313 36.052 31.169 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.030 35.952 28.683 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.493 35.080 29.198 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.023 34.175 28.763 1.00 0.00 H new ATOM 0 HG21 VAL A 14 39.029 35.974 30.069 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.063 34.197 30.166 1.00 0.00 H new ATOM 0 HG23 VAL A 14 38.997 35.169 31.655 1.00 0.00 H new ATOM 208 N ASN A 15 43.493 34.812 32.446 1.00 0.00 N ATOM 209 CA ASN A 15 44.901 34.804 32.694 1.00 0.00 C ATOM 210 C ASN A 15 45.464 33.533 33.228 1.00 0.00 C ATOM 211 O ASN A 15 46.570 33.130 32.868 1.00 0.00 O ATOM 212 CB ASN A 15 45.308 35.976 33.603 1.00 0.00 C ATOM 213 CG ASN A 15 46.721 36.436 33.275 1.00 0.00 C ATOM 214 OD1 ASN A 15 47.017 36.842 32.152 1.00 0.00 O ATOM 215 ND2 ASN A 15 47.643 36.388 34.274 1.00 0.00 N ATOM 0 H ASN A 15 42.977 35.482 33.017 1.00 0.00 H new ATOM 0 HA ASN A 15 45.338 34.914 31.702 1.00 0.00 H new ATOM 0 HB2 ASN A 15 44.610 36.804 33.474 1.00 0.00 H new ATOM 0 HB3 ASN A 15 45.251 35.671 34.648 1.00 0.00 H new ATOM 0 HD21 ASN A 15 48.601 36.692 34.099 1.00 0.00 H new ATOM 0 HD22 ASN A 15 47.377 36.048 35.198 1.00 0.00 H new ATOM 222 N LYS A 16 44.734 32.799 34.087 1.00 0.00 N ATOM 223 CA LYS A 16 45.060 31.482 34.538 1.00 0.00 C ATOM 224 C LYS A 16 45.078 30.518 33.402 1.00 0.00 C ATOM 225 O LYS A 16 46.025 29.750 33.237 1.00 0.00 O ATOM 226 CB LYS A 16 44.051 31.102 35.635 1.00 0.00 C ATOM 227 CG LYS A 16 43.805 29.621 35.930 1.00 0.00 C ATOM 228 CD LYS A 16 44.673 28.962 37.004 1.00 0.00 C ATOM 229 CE LYS A 16 44.287 29.364 38.429 1.00 0.00 C ATOM 230 NZ LYS A 16 44.573 28.270 39.385 1.00 0.00 N ATOM 0 H LYS A 16 43.864 33.147 34.490 1.00 0.00 H new ATOM 0 HA LYS A 16 46.065 31.451 34.958 1.00 0.00 H new ATOM 0 HB2 LYS A 16 44.378 31.573 36.562 1.00 0.00 H new ATOM 0 HB3 LYS A 16 43.093 31.549 35.371 1.00 0.00 H new ATOM 0 HG2 LYS A 16 42.761 29.505 36.223 1.00 0.00 H new ATOM 0 HG3 LYS A 16 43.939 29.066 35.002 1.00 0.00 H new ATOM 0 HD2 LYS A 16 44.598 27.879 36.907 1.00 0.00 H new ATOM 0 HD3 LYS A 16 45.716 29.226 36.830 1.00 0.00 H new ATOM 0 HE2 LYS A 16 44.837 30.259 38.720 1.00 0.00 H new ATOM 0 HE3 LYS A 16 43.227 29.616 38.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 43.965 28.373 40.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 44.384 27.354 38.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 45.571 28.314 39.674 1.00 0.00 H new ATOM 244 N ILE A 17 44.060 30.565 32.524 1.00 0.00 N ATOM 245 CA ILE A 17 43.956 29.844 31.293 1.00 0.00 C ATOM 246 C ILE A 17 45.108 30.092 30.380 1.00 0.00 C ATOM 247 O ILE A 17 45.707 29.145 29.874 1.00 0.00 O ATOM 248 CB ILE A 17 42.619 30.142 30.681 1.00 0.00 C ATOM 249 CG1 ILE A 17 41.531 29.428 31.500 1.00 0.00 C ATOM 250 CG2 ILE A 17 42.513 29.793 29.187 1.00 0.00 C ATOM 251 CD1 ILE A 17 40.109 29.749 31.043 1.00 0.00 C ATOM 0 H ILE A 17 43.245 31.155 32.690 1.00 0.00 H new ATOM 0 HA ILE A 17 44.012 28.773 31.490 1.00 0.00 H new ATOM 0 HB ILE A 17 42.480 31.222 30.719 1.00 0.00 H new ATOM 0 HG12 ILE A 17 41.689 28.351 31.437 1.00 0.00 H new ATOM 0 HG13 ILE A 17 41.637 29.705 32.549 1.00 0.00 H new ATOM 0 HG21 ILE A 17 41.515 30.040 28.826 1.00 0.00 H new ATOM 0 HG22 ILE A 17 43.253 30.364 28.627 1.00 0.00 H new ATOM 0 HG23 ILE A 17 42.696 28.727 29.048 1.00 0.00 H new ATOM 0 HD11 ILE A 17 39.396 29.210 31.667 1.00 0.00 H new ATOM 0 HD12 ILE A 17 39.931 30.821 31.132 1.00 0.00 H new ATOM 0 HD13 ILE A 17 39.984 29.446 30.004 1.00 0.00 H new ATOM 263 N LYS A 18 45.532 31.352 30.173 1.00 0.00 N ATOM 264 CA LYS A 18 46.710 31.671 29.429 1.00 0.00 C ATOM 265 C LYS A 18 47.937 31.006 29.951 1.00 0.00 C ATOM 266 O LYS A 18 48.665 30.367 29.193 1.00 0.00 O ATOM 267 CB LYS A 18 47.044 33.171 29.374 1.00 0.00 C ATOM 268 CG LYS A 18 46.116 34.017 28.501 1.00 0.00 C ATOM 269 CD LYS A 18 46.776 35.266 27.914 1.00 0.00 C ATOM 270 CE LYS A 18 47.100 36.412 28.875 1.00 0.00 C ATOM 271 NZ LYS A 18 48.352 36.196 29.634 1.00 0.00 N ATOM 0 H LYS A 18 45.042 32.171 30.533 1.00 0.00 H new ATOM 0 HA LYS A 18 46.452 31.307 28.435 1.00 0.00 H new ATOM 0 HB2 LYS A 18 47.023 33.568 30.389 1.00 0.00 H new ATOM 0 HB3 LYS A 18 48.064 33.286 29.008 1.00 0.00 H new ATOM 0 HG2 LYS A 18 45.741 33.400 27.685 1.00 0.00 H new ATOM 0 HG3 LYS A 18 45.253 34.320 29.094 1.00 0.00 H new ATOM 0 HD2 LYS A 18 47.704 34.960 27.430 1.00 0.00 H new ATOM 0 HD3 LYS A 18 46.123 35.656 27.133 1.00 0.00 H new ATOM 0 HE2 LYS A 18 47.180 37.341 28.310 1.00 0.00 H new ATOM 0 HE3 LYS A 18 46.274 36.536 29.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 48.164 36.302 30.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 48.711 35.238 29.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 49.062 36.896 29.338 1.00 0.00 H new ATOM 285 N THR A 19 48.168 31.096 31.273 1.00 0.00 N ATOM 286 CA THR A 19 49.299 30.563 31.969 1.00 0.00 C ATOM 287 C THR A 19 49.450 29.086 31.839 1.00 0.00 C ATOM 288 O THR A 19 50.554 28.561 31.709 1.00 0.00 O ATOM 289 CB THR A 19 49.245 30.950 33.417 1.00 0.00 C ATOM 290 OG1 THR A 19 49.171 32.361 33.561 1.00 0.00 O ATOM 291 CG2 THR A 19 50.516 30.510 34.161 1.00 0.00 C ATOM 0 H THR A 19 47.519 31.574 31.898 1.00 0.00 H new ATOM 0 HA THR A 19 50.178 31.000 31.494 1.00 0.00 H new ATOM 0 HB THR A 19 48.363 30.461 33.830 1.00 0.00 H new ATOM 0 HG1 THR A 19 48.262 32.664 33.355 1.00 0.00 H new ATOM 0 HG21 THR A 19 50.445 30.805 35.208 1.00 0.00 H new ATOM 0 HG22 THR A 19 50.619 29.427 34.096 1.00 0.00 H new ATOM 0 HG23 THR A 19 51.386 30.985 33.708 1.00 0.00 H new ATOM 299 N ARG A 20 48.352 28.309 31.845 1.00 0.00 N ATOM 300 CA ARG A 20 48.397 26.891 31.670 1.00 0.00 C ATOM 301 C ARG A 20 48.492 26.451 30.249 1.00 0.00 C ATOM 302 O ARG A 20 49.065 25.408 29.938 1.00 0.00 O ATOM 303 CB ARG A 20 47.142 26.250 32.288 1.00 0.00 C ATOM 304 CG ARG A 20 47.012 26.454 33.799 1.00 0.00 C ATOM 305 CD ARG A 20 48.204 25.950 34.615 1.00 0.00 C ATOM 306 NE ARG A 20 48.329 24.499 34.307 1.00 0.00 N ATOM 307 CZ ARG A 20 49.489 23.787 34.424 1.00 0.00 C ATOM 308 NH1 ARG A 20 50.688 24.389 34.672 1.00 0.00 N ATOM 309 NH2 ARG A 20 49.444 22.435 34.239 1.00 0.00 N ATOM 0 H ARG A 20 47.409 28.676 31.975 1.00 0.00 H new ATOM 0 HA ARG A 20 49.309 26.565 32.170 1.00 0.00 H new ATOM 0 HB2 ARG A 20 46.259 26.663 31.800 1.00 0.00 H new ATOM 0 HB3 ARG A 20 47.152 25.181 32.077 1.00 0.00 H new ATOM 0 HG2 ARG A 20 46.875 27.517 33.998 1.00 0.00 H new ATOM 0 HG3 ARG A 20 46.111 25.947 34.145 1.00 0.00 H new ATOM 0 HD2 ARG A 20 49.115 26.486 34.347 1.00 0.00 H new ATOM 0 HD3 ARG A 20 48.042 26.110 35.681 1.00 0.00 H new ATOM 0 HE ARG A 20 47.495 24.005 33.988 1.00 0.00 H new ATOM 0 HH11 ARG A 20 50.738 25.402 34.776 1.00 0.00 H new ATOM 0 HH12 ARG A 20 51.534 23.826 34.753 1.00 0.00 H new ATOM 0 HH21 ARG A 20 48.558 21.980 34.019 1.00 0.00 H new ATOM 0 HH22 ARG A 20 50.296 21.880 34.321 1.00 0.00 H new ATOM 323 N PHE A 21 47.945 27.240 29.309 1.00 0.00 N ATOM 324 CA PHE A 21 47.972 26.893 27.922 1.00 0.00 C ATOM 325 C PHE A 21 49.018 27.657 27.184 1.00 0.00 C ATOM 326 O PHE A 21 48.842 28.034 26.025 1.00 0.00 O ATOM 327 CB PHE A 21 46.568 27.030 27.308 1.00 0.00 C ATOM 328 CG PHE A 21 45.586 26.172 28.029 1.00 0.00 C ATOM 329 CD1 PHE A 21 45.814 24.840 28.286 1.00 0.00 C ATOM 330 CD2 PHE A 21 44.408 26.729 28.466 1.00 0.00 C ATOM 331 CE1 PHE A 21 44.899 24.083 28.980 1.00 0.00 C ATOM 332 CE2 PHE A 21 43.493 25.994 29.184 1.00 0.00 C ATOM 333 CZ PHE A 21 43.742 24.666 29.440 1.00 0.00 C ATOM 0 H PHE A 21 47.480 28.125 29.511 1.00 0.00 H new ATOM 0 HA PHE A 21 48.257 25.845 27.828 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.248 28.071 27.351 1.00 0.00 H new ATOM 0 HB3 PHE A 21 46.598 26.749 26.255 1.00 0.00 H new ATOM 0 HD1 PHE A 21 46.727 24.381 27.937 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.196 27.764 28.241 1.00 0.00 H new ATOM 0 HE1 PHE A 21 45.089 23.036 29.163 1.00 0.00 H new ATOM 0 HE2 PHE A 21 42.586 26.457 29.544 1.00 0.00 H new ATOM 0 HZ PHE A 21 43.029 24.081 30.002 1.00 0.00 H new ATOM 343 N LEU A 22 50.196 27.865 27.796 1.00 0.00 N ATOM 344 CA LEU A 22 51.342 28.459 27.181 1.00 0.00 C ATOM 345 C LEU A 22 51.991 27.561 26.184 1.00 0.00 C ATOM 346 O LEU A 22 52.312 27.961 25.066 1.00 0.00 O ATOM 347 CB LEU A 22 52.410 28.893 28.200 1.00 0.00 C ATOM 348 CG LEU A 22 51.928 30.058 29.081 1.00 0.00 C ATOM 349 CD1 LEU A 22 52.961 30.283 30.199 1.00 0.00 C ATOM 350 CD2 LEU A 22 51.684 31.376 28.327 1.00 0.00 C ATOM 0 H LEU A 22 50.358 27.606 28.769 1.00 0.00 H new ATOM 0 HA LEU A 22 50.949 29.340 26.674 1.00 0.00 H new ATOM 0 HB2 LEU A 22 52.673 28.045 28.833 1.00 0.00 H new ATOM 0 HB3 LEU A 22 53.316 29.189 27.671 1.00 0.00 H new ATOM 0 HG LEU A 22 50.955 29.768 29.477 1.00 0.00 H new ATOM 0 HD11 LEU A 22 52.636 31.107 30.835 1.00 0.00 H new ATOM 0 HD12 LEU A 22 53.052 29.377 30.798 1.00 0.00 H new ATOM 0 HD13 LEU A 22 53.928 30.525 29.758 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.347 32.139 29.028 1.00 0.00 H new ATOM 0 HD22 LEU A 22 52.611 31.702 27.854 1.00 0.00 H new ATOM 0 HD23 LEU A 22 50.921 31.223 27.563 1.00 0.00 H new ATOM 362 N ASP A 23 52.176 26.280 26.551 1.00 0.00 N ATOM 363 CA ASP A 23 52.667 25.286 25.649 1.00 0.00 C ATOM 364 C ASP A 23 51.537 24.584 24.979 1.00 0.00 C ATOM 365 O ASP A 23 51.711 23.564 24.311 1.00 0.00 O ATOM 366 CB ASP A 23 53.576 24.278 26.371 1.00 0.00 C ATOM 367 CG ASP A 23 54.983 24.841 26.511 1.00 0.00 C ATOM 368 OD1 ASP A 23 55.173 25.842 27.254 1.00 0.00 O ATOM 369 OD2 ASP A 23 55.913 24.289 25.866 1.00 0.00 O ATOM 0 H ASP A 23 51.981 25.929 27.489 1.00 0.00 H new ATOM 0 HA ASP A 23 53.264 25.790 24.889 1.00 0.00 H new ATOM 0 HB2 ASP A 23 53.168 24.051 27.356 1.00 0.00 H new ATOM 0 HB3 ASP A 23 53.606 23.341 25.815 1.00 0.00 H new ATOM 374 N HIS A 24 50.315 25.133 25.093 1.00 0.00 N ATOM 375 CA HIS A 24 49.162 24.637 24.407 1.00 0.00 C ATOM 376 C HIS A 24 48.391 25.716 23.731 1.00 0.00 C ATOM 377 O HIS A 24 47.214 25.847 24.065 1.00 0.00 O ATOM 378 CB HIS A 24 48.293 23.881 25.427 1.00 0.00 C ATOM 379 CG HIS A 24 49.080 22.934 26.285 1.00 0.00 C ATOM 380 ND1 HIS A 24 49.357 23.127 27.613 1.00 0.00 N ATOM 381 CD2 HIS A 24 49.692 21.775 25.922 1.00 0.00 C ATOM 382 CE1 HIS A 24 50.090 22.119 28.049 1.00 0.00 C ATOM 383 NE2 HIS A 24 50.314 21.294 27.044 1.00 0.00 N ATOM 0 H HIS A 24 50.123 25.945 25.679 1.00 0.00 H new ATOM 0 HA HIS A 24 49.482 23.965 23.610 1.00 0.00 H new ATOM 0 HB2 HIS A 24 47.783 24.602 26.066 1.00 0.00 H new ATOM 0 HB3 HIS A 24 47.521 23.324 24.896 1.00 0.00 H new ATOM 0 HD2 HIS A 24 49.688 21.322 24.941 1.00 0.00 H new ATOM 0 HE1 HIS A 24 50.447 21.991 29.060 1.00 0.00 H new ATOM 0 HE2 HIS A 24 50.862 20.435 27.094 1.00 0.00 H new ATOM 392 N PRO A 25 48.832 26.520 22.810 1.00 0.00 N ATOM 393 CA PRO A 25 48.105 27.677 22.374 1.00 0.00 C ATOM 394 C PRO A 25 46.958 27.369 21.474 1.00 0.00 C ATOM 395 O PRO A 25 46.248 28.287 21.065 1.00 0.00 O ATOM 396 CB PRO A 25 49.117 28.558 21.647 1.00 0.00 C ATOM 397 CG PRO A 25 50.478 28.025 22.127 1.00 0.00 C ATOM 398 CD PRO A 25 50.175 26.523 22.250 1.00 0.00 C ATOM 0 HA PRO A 25 47.658 28.164 23.241 1.00 0.00 H new ATOM 0 HB2 PRO A 25 49.014 28.476 20.565 1.00 0.00 H new ATOM 0 HB3 PRO A 25 48.987 29.610 21.901 1.00 0.00 H new ATOM 0 HG2 PRO A 25 51.276 28.228 21.413 1.00 0.00 H new ATOM 0 HG3 PRO A 25 50.781 28.464 23.077 1.00 0.00 H new ATOM 0 HD2 PRO A 25 50.213 26.020 21.284 1.00 0.00 H new ATOM 0 HD3 PRO A 25 50.888 26.017 22.901 1.00 0.00 H new ATOM 406 N GLU A 26 46.731 26.085 21.144 1.00 0.00 N ATOM 407 CA GLU A 26 45.639 25.602 20.358 1.00 0.00 C ATOM 408 C GLU A 26 44.350 25.761 21.089 1.00 0.00 C ATOM 409 O GLU A 26 43.288 25.990 20.512 1.00 0.00 O ATOM 410 CB GLU A 26 45.796 24.103 20.050 1.00 0.00 C ATOM 411 CG GLU A 26 47.224 23.668 19.718 1.00 0.00 C ATOM 412 CD GLU A 26 47.232 22.240 19.191 1.00 0.00 C ATOM 413 OE1 GLU A 26 46.760 22.032 18.042 1.00 0.00 O ATOM 414 OE2 GLU A 26 47.682 21.314 19.918 1.00 0.00 O ATOM 0 H GLU A 26 47.353 25.335 21.447 1.00 0.00 H new ATOM 0 HA GLU A 26 45.638 26.183 19.436 1.00 0.00 H new ATOM 0 HB2 GLU A 26 45.446 23.530 20.909 1.00 0.00 H new ATOM 0 HB3 GLU A 26 45.148 23.848 19.211 1.00 0.00 H new ATOM 0 HG2 GLU A 26 47.652 24.340 18.974 1.00 0.00 H new ATOM 0 HG3 GLU A 26 47.849 23.738 20.608 1.00 0.00 H new ATOM 421 N ILE A 27 44.434 25.655 22.427 1.00 0.00 N ATOM 422 CA ILE A 27 43.336 25.760 23.339 1.00 0.00 C ATOM 423 C ILE A 27 42.803 27.150 23.300 1.00 0.00 C ATOM 424 O ILE A 27 41.593 27.366 23.256 1.00 0.00 O ATOM 425 CB ILE A 27 43.659 25.437 24.767 1.00 0.00 C ATOM 426 CG1 ILE A 27 44.612 24.272 25.080 1.00 0.00 C ATOM 427 CG2 ILE A 27 42.321 25.098 25.446 1.00 0.00 C ATOM 428 CD1 ILE A 27 44.763 23.175 24.027 1.00 0.00 C ATOM 0 H ILE A 27 45.321 25.486 22.901 1.00 0.00 H new ATOM 0 HA ILE A 27 42.614 25.015 23.005 1.00 0.00 H new ATOM 0 HB ILE A 27 44.196 26.317 25.122 1.00 0.00 H new ATOM 0 HG12 ILE A 27 45.600 24.690 25.273 1.00 0.00 H new ATOM 0 HG13 ILE A 27 44.277 23.804 26.006 1.00 0.00 H new ATOM 0 HG21 ILE A 27 42.496 24.853 26.494 1.00 0.00 H new ATOM 0 HG22 ILE A 27 41.652 25.956 25.381 1.00 0.00 H new ATOM 0 HG23 ILE A 27 41.865 24.244 24.945 1.00 0.00 H new ATOM 0 HD11 ILE A 27 45.465 22.422 24.384 1.00 0.00 H new ATOM 0 HD12 ILE A 27 43.794 22.710 23.844 1.00 0.00 H new ATOM 0 HD13 ILE A 27 45.138 23.609 23.100 1.00 0.00 H new ATOM 440 N TYR A 28 43.703 28.149 23.253 1.00 0.00 N ATOM 441 CA TYR A 28 43.379 29.541 23.304 1.00 0.00 C ATOM 442 C TYR A 28 42.597 30.034 22.135 1.00 0.00 C ATOM 443 O TYR A 28 41.922 31.060 22.212 1.00 0.00 O ATOM 444 CB TYR A 28 44.662 30.362 23.525 1.00 0.00 C ATOM 445 CG TYR A 28 44.416 31.761 23.975 1.00 0.00 C ATOM 446 CD1 TYR A 28 43.456 32.042 24.918 1.00 0.00 C ATOM 447 CD2 TYR A 28 45.156 32.798 23.457 1.00 0.00 C ATOM 448 CE1 TYR A 28 43.206 33.335 25.315 1.00 0.00 C ATOM 449 CE2 TYR A 28 44.935 34.093 23.864 1.00 0.00 C ATOM 450 CZ TYR A 28 43.960 34.361 24.795 1.00 0.00 C ATOM 451 OH TYR A 28 43.727 35.687 25.215 1.00 0.00 O ATOM 0 H TYR A 28 44.705 27.977 23.176 1.00 0.00 H new ATOM 0 HA TYR A 28 42.708 29.678 24.152 1.00 0.00 H new ATOM 0 HB2 TYR A 28 45.281 29.857 24.266 1.00 0.00 H new ATOM 0 HB3 TYR A 28 45.231 30.385 22.596 1.00 0.00 H new ATOM 0 HD1 TYR A 28 42.888 31.234 25.355 1.00 0.00 H new ATOM 0 HD2 TYR A 28 45.920 32.593 22.722 1.00 0.00 H new ATOM 0 HE1 TYR A 28 42.423 33.543 26.030 1.00 0.00 H new ATOM 0 HE2 TYR A 28 45.526 34.898 23.453 1.00 0.00 H new ATOM 0 HH TYR A 28 44.345 36.290 24.752 1.00 0.00 H new ATOM 461 N ARG A 29 42.605 29.312 21.001 1.00 0.00 N ATOM 462 CA ARG A 29 41.627 29.505 19.976 1.00 0.00 C ATOM 463 C ARG A 29 40.350 28.808 20.299 1.00 0.00 C ATOM 464 O ARG A 29 39.296 29.427 20.437 1.00 0.00 O ATOM 465 CB ARG A 29 42.164 29.014 18.620 1.00 0.00 C ATOM 466 CG ARG A 29 43.316 29.860 18.074 1.00 0.00 C ATOM 467 CD ARG A 29 42.891 31.218 17.515 1.00 0.00 C ATOM 468 NE ARG A 29 44.128 31.977 17.178 1.00 0.00 N ATOM 469 CZ ARG A 29 44.932 31.718 16.106 1.00 0.00 C ATOM 470 NH1 ARG A 29 44.548 30.907 15.077 1.00 0.00 N ATOM 471 NH2 ARG A 29 46.163 32.299 16.006 1.00 0.00 N ATOM 0 H ARG A 29 43.294 28.589 20.793 1.00 0.00 H new ATOM 0 HA ARG A 29 41.423 30.574 19.915 1.00 0.00 H new ATOM 0 HB2 ARG A 29 42.500 27.982 18.724 1.00 0.00 H new ATOM 0 HB3 ARG A 29 41.350 29.013 17.895 1.00 0.00 H new ATOM 0 HG2 ARG A 29 44.043 30.020 18.870 1.00 0.00 H new ATOM 0 HG3 ARG A 29 43.822 29.299 17.288 1.00 0.00 H new ATOM 0 HD2 ARG A 29 42.268 31.089 16.630 1.00 0.00 H new ATOM 0 HD3 ARG A 29 42.295 31.763 18.247 1.00 0.00 H new ATOM 0 HE ARG A 29 44.393 32.746 17.793 1.00 0.00 H new ATOM 0 HH11 ARG A 29 43.628 30.467 15.090 1.00 0.00 H new ATOM 0 HH12 ARG A 29 45.181 30.741 14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 29 46.489 32.933 16.736 1.00 0.00 H new ATOM 0 HH22 ARG A 29 46.757 32.100 15.201 1.00 0.00 H new ATOM 485 N SER A 30 40.379 27.473 20.448 1.00 0.00 N ATOM 486 CA SER A 30 39.218 26.640 20.385 1.00 0.00 C ATOM 487 C SER A 30 38.325 26.714 21.575 1.00 0.00 C ATOM 488 O SER A 30 37.112 26.546 21.453 1.00 0.00 O ATOM 489 CB SER A 30 39.625 25.194 20.053 1.00 0.00 C ATOM 490 OG SER A 30 38.539 24.411 19.580 1.00 0.00 O ATOM 0 H SER A 30 41.241 26.954 20.618 1.00 0.00 H new ATOM 0 HA SER A 30 38.604 27.037 19.577 1.00 0.00 H new ATOM 0 HB2 SER A 30 40.413 25.207 19.300 1.00 0.00 H new ATOM 0 HB3 SER A 30 40.044 24.726 20.944 1.00 0.00 H new ATOM 0 HG SER A 30 38.852 23.503 19.383 1.00 0.00 H new ATOM 496 N PHE A 31 38.860 27.032 22.767 1.00 0.00 N ATOM 497 CA PHE A 31 38.133 27.367 23.952 1.00 0.00 C ATOM 498 C PHE A 31 37.107 28.427 23.741 1.00 0.00 C ATOM 499 O PHE A 31 35.929 28.270 24.062 1.00 0.00 O ATOM 500 CB PHE A 31 39.152 27.793 25.022 1.00 0.00 C ATOM 501 CG PHE A 31 38.682 28.524 26.232 1.00 0.00 C ATOM 502 CD1 PHE A 31 37.583 28.118 26.950 1.00 0.00 C ATOM 503 CD2 PHE A 31 39.369 29.638 26.652 1.00 0.00 C ATOM 504 CE1 PHE A 31 37.137 28.841 28.032 1.00 0.00 C ATOM 505 CE2 PHE A 31 38.928 30.376 27.725 1.00 0.00 C ATOM 506 CZ PHE A 31 37.805 29.980 28.414 1.00 0.00 C ATOM 0 H PHE A 31 39.869 27.056 22.912 1.00 0.00 H new ATOM 0 HA PHE A 31 37.571 26.489 24.271 1.00 0.00 H new ATOM 0 HB2 PHE A 31 39.664 26.893 25.362 1.00 0.00 H new ATOM 0 HB3 PHE A 31 39.898 28.418 24.532 1.00 0.00 H new ATOM 0 HD1 PHE A 31 37.061 27.218 26.660 1.00 0.00 H new ATOM 0 HD2 PHE A 31 40.267 29.938 26.132 1.00 0.00 H new ATOM 0 HE1 PHE A 31 36.265 28.515 28.579 1.00 0.00 H new ATOM 0 HE2 PHE A 31 39.462 31.265 28.026 1.00 0.00 H new ATOM 0 HZ PHE A 31 37.450 30.562 29.252 1.00 0.00 H new ATOM 516 N LEU A 32 37.512 29.571 23.162 1.00 0.00 N ATOM 517 CA LEU A 32 36.660 30.710 23.014 1.00 0.00 C ATOM 518 C LEU A 32 35.678 30.522 21.908 1.00 0.00 C ATOM 519 O LEU A 32 34.553 31.014 21.972 1.00 0.00 O ATOM 520 CB LEU A 32 37.415 31.995 22.635 1.00 0.00 C ATOM 521 CG LEU A 32 38.808 32.136 23.272 1.00 0.00 C ATOM 522 CD1 LEU A 32 39.620 33.082 22.371 1.00 0.00 C ATOM 523 CD2 LEU A 32 38.719 32.598 24.735 1.00 0.00 C ATOM 0 H LEU A 32 38.451 29.708 22.789 1.00 0.00 H new ATOM 0 HA LEU A 32 36.187 30.806 23.991 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.521 32.031 21.551 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.810 32.854 22.925 1.00 0.00 H new ATOM 0 HG LEU A 32 39.317 31.174 23.328 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.619 33.211 22.786 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.695 32.656 21.370 1.00 0.00 H new ATOM 0 HD13 LEU A 32 39.122 34.050 22.317 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.723 32.686 25.150 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.221 33.567 24.781 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.150 31.870 25.313 1.00 0.00 H new ATOM 535 N GLU A 33 36.093 29.824 20.835 1.00 0.00 N ATOM 536 CA GLU A 33 35.227 29.379 19.789 1.00 0.00 C ATOM 537 C GLU A 33 33.987 28.679 20.229 1.00 0.00 C ATOM 538 O GLU A 33 32.909 28.937 19.697 1.00 0.00 O ATOM 539 CB GLU A 33 35.951 28.540 18.722 1.00 0.00 C ATOM 540 CG GLU A 33 36.959 29.363 17.916 1.00 0.00 C ATOM 541 CD GLU A 33 37.468 28.659 16.668 1.00 0.00 C ATOM 542 OE1 GLU A 33 37.224 27.438 16.472 1.00 0.00 O ATOM 543 OE2 GLU A 33 38.099 29.353 15.827 1.00 0.00 O ATOM 0 H GLU A 33 37.068 29.560 20.691 1.00 0.00 H new ATOM 0 HA GLU A 33 34.900 30.319 19.344 1.00 0.00 H new ATOM 0 HB2 GLU A 33 36.467 27.710 19.205 1.00 0.00 H new ATOM 0 HB3 GLU A 33 35.216 28.107 18.044 1.00 0.00 H new ATOM 0 HG2 GLU A 33 36.495 30.306 17.626 1.00 0.00 H new ATOM 0 HG3 GLU A 33 37.807 29.608 18.555 1.00 0.00 H new ATOM 550 N ILE A 34 34.064 27.825 21.266 1.00 0.00 N ATOM 551 CA ILE A 34 32.947 27.218 21.921 1.00 0.00 C ATOM 552 C ILE A 34 32.085 28.223 22.605 1.00 0.00 C ATOM 553 O ILE A 34 30.871 28.235 22.407 1.00 0.00 O ATOM 554 CB ILE A 34 33.416 26.150 22.865 1.00 0.00 C ATOM 555 CG1 ILE A 34 34.127 25.019 22.103 1.00 0.00 C ATOM 556 CG2 ILE A 34 32.246 25.567 23.674 1.00 0.00 C ATOM 557 CD1 ILE A 34 35.034 24.174 22.996 1.00 0.00 C ATOM 0 H ILE A 34 34.957 27.543 21.670 1.00 0.00 H new ATOM 0 HA ILE A 34 32.324 26.750 21.159 1.00 0.00 H new ATOM 0 HB ILE A 34 34.121 26.614 23.555 1.00 0.00 H new ATOM 0 HG12 ILE A 34 33.379 24.374 21.641 1.00 0.00 H new ATOM 0 HG13 ILE A 34 34.720 25.449 21.296 1.00 0.00 H new ATOM 0 HG21 ILE A 34 32.618 24.796 24.348 1.00 0.00 H new ATOM 0 HG22 ILE A 34 31.774 26.360 24.254 1.00 0.00 H new ATOM 0 HG23 ILE A 34 31.515 25.131 22.993 1.00 0.00 H new ATOM 0 HD11 ILE A 34 35.507 23.393 22.400 1.00 0.00 H new ATOM 0 HD12 ILE A 34 35.802 24.808 23.438 1.00 0.00 H new ATOM 0 HD13 ILE A 34 34.441 23.717 23.788 1.00 0.00 H new ATOM 569 N LEU A 35 32.626 29.163 23.400 1.00 0.00 N ATOM 570 CA LEU A 35 31.825 30.172 24.021 1.00 0.00 C ATOM 571 C LEU A 35 31.223 31.138 23.061 1.00 0.00 C ATOM 572 O LEU A 35 30.135 31.669 23.281 1.00 0.00 O ATOM 573 CB LEU A 35 32.633 30.973 25.056 1.00 0.00 C ATOM 574 CG LEU A 35 33.597 30.177 25.952 1.00 0.00 C ATOM 575 CD1 LEU A 35 33.837 31.036 27.204 1.00 0.00 C ATOM 576 CD2 LEU A 35 33.102 28.843 26.535 1.00 0.00 C ATOM 0 H LEU A 35 33.622 29.224 23.613 1.00 0.00 H new ATOM 0 HA LEU A 35 31.017 29.621 24.503 1.00 0.00 H new ATOM 0 HB2 LEU A 35 33.210 31.729 24.524 1.00 0.00 H new ATOM 0 HB3 LEU A 35 31.930 31.502 25.700 1.00 0.00 H new ATOM 0 HG LEU A 35 34.442 29.954 25.300 1.00 0.00 H new ATOM 0 HD11 LEU A 35 34.518 30.515 27.877 1.00 0.00 H new ATOM 0 HD12 LEU A 35 34.275 31.991 26.912 1.00 0.00 H new ATOM 0 HD13 LEU A 35 32.889 31.212 27.712 1.00 0.00 H new ATOM 0 HD21 LEU A 35 33.889 28.398 27.144 1.00 0.00 H new ATOM 0 HD22 LEU A 35 32.222 29.020 27.153 1.00 0.00 H new ATOM 0 HD23 LEU A 35 32.844 28.164 25.722 1.00 0.00 H new ATOM 588 N HIS A 36 31.885 31.393 21.918 1.00 0.00 N ATOM 589 CA HIS A 36 31.407 32.141 20.798 1.00 0.00 C ATOM 590 C HIS A 36 30.286 31.465 20.086 1.00 0.00 C ATOM 591 O HIS A 36 29.509 32.142 19.414 1.00 0.00 O ATOM 592 CB HIS A 36 32.495 32.456 19.758 1.00 0.00 C ATOM 593 CG HIS A 36 33.471 33.539 20.109 1.00 0.00 C ATOM 594 ND1 HIS A 36 33.100 34.857 20.154 1.00 0.00 N ATOM 595 CD2 HIS A 36 34.822 33.514 20.264 1.00 0.00 C ATOM 596 CE1 HIS A 36 34.173 35.604 20.332 1.00 0.00 C ATOM 597 NE2 HIS A 36 35.229 34.814 20.408 1.00 0.00 N ATOM 0 H HIS A 36 32.832 31.046 21.767 1.00 0.00 H new ATOM 0 HA HIS A 36 31.058 33.072 21.245 1.00 0.00 H new ATOM 0 HB2 HIS A 36 33.056 31.542 19.566 1.00 0.00 H new ATOM 0 HB3 HIS A 36 32.004 32.731 18.825 1.00 0.00 H new ATOM 0 HD2 HIS A 36 35.453 32.637 20.272 1.00 0.00 H new ATOM 0 HE1 HIS A 36 34.186 36.682 20.404 1.00 0.00 H new ATOM 0 HE2 HIS A 36 36.191 35.122 20.551 1.00 0.00 H new ATOM 606 N THR A 37 30.102 30.139 20.218 1.00 0.00 N ATOM 607 CA THR A 37 28.958 29.430 19.734 1.00 0.00 C ATOM 608 C THR A 37 27.707 29.881 20.407 1.00 0.00 C ATOM 609 O THR A 37 26.646 29.954 19.789 1.00 0.00 O ATOM 610 CB THR A 37 29.140 27.941 19.752 1.00 0.00 C ATOM 611 OG1 THR A 37 28.834 27.348 18.498 1.00 0.00 O ATOM 612 CG2 THR A 37 28.276 27.193 20.780 1.00 0.00 C ATOM 0 H THR A 37 30.780 29.535 20.682 1.00 0.00 H new ATOM 0 HA THR A 37 28.850 29.685 18.680 1.00 0.00 H new ATOM 0 HB THR A 37 30.192 27.837 20.017 1.00 0.00 H new ATOM 0 HG1 THR A 37 28.967 26.379 18.553 1.00 0.00 H new ATOM 0 HG21 THR A 37 28.478 26.124 20.716 1.00 0.00 H new ATOM 0 HG22 THR A 37 28.514 27.548 21.783 1.00 0.00 H new ATOM 0 HG23 THR A 37 27.222 27.376 20.571 1.00 0.00 H new ATOM 620 N TYR A 38 27.826 30.287 21.684 1.00 0.00 N ATOM 621 CA TYR A 38 26.822 31.010 22.401 1.00 0.00 C ATOM 622 C TYR A 38 26.850 32.460 22.059 1.00 0.00 C ATOM 623 O TYR A 38 25.856 32.987 21.562 1.00 0.00 O ATOM 624 CB TYR A 38 27.017 30.736 23.902 1.00 0.00 C ATOM 625 CG TYR A 38 26.341 31.595 24.913 1.00 0.00 C ATOM 626 CD1 TYR A 38 25.257 32.403 24.661 1.00 0.00 C ATOM 627 CD2 TYR A 38 26.875 31.568 26.180 1.00 0.00 C ATOM 628 CE1 TYR A 38 24.809 33.289 25.611 1.00 0.00 C ATOM 629 CE2 TYR A 38 26.413 32.428 27.149 1.00 0.00 C ATOM 630 CZ TYR A 38 25.407 33.317 26.849 1.00 0.00 C ATOM 631 OH TYR A 38 24.953 34.221 27.833 1.00 0.00 O ATOM 0 H TYR A 38 28.660 30.103 22.242 1.00 0.00 H new ATOM 0 HA TYR A 38 25.827 30.670 22.114 1.00 0.00 H new ATOM 0 HB2 TYR A 38 26.701 29.709 24.087 1.00 0.00 H new ATOM 0 HB3 TYR A 38 28.087 30.781 24.103 1.00 0.00 H new ATOM 0 HD1 TYR A 38 24.753 32.341 23.708 1.00 0.00 H new ATOM 0 HD2 TYR A 38 27.662 30.867 26.416 1.00 0.00 H new ATOM 0 HE1 TYR A 38 23.992 33.959 25.387 1.00 0.00 H new ATOM 0 HE2 TYR A 38 26.838 32.405 28.141 1.00 0.00 H new ATOM 0 HH TYR A 38 25.483 34.109 28.650 1.00 0.00 H new ATOM 641 N GLN A 39 27.948 33.185 22.339 1.00 0.00 N ATOM 642 CA GLN A 39 27.991 34.614 22.384 1.00 0.00 C ATOM 643 C GLN A 39 27.602 35.339 21.141 1.00 0.00 C ATOM 644 O GLN A 39 27.107 36.465 21.184 1.00 0.00 O ATOM 645 CB GLN A 39 29.361 35.033 22.941 1.00 0.00 C ATOM 646 CG GLN A 39 29.339 36.207 23.922 1.00 0.00 C ATOM 647 CD GLN A 39 29.443 37.585 23.284 1.00 0.00 C ATOM 648 OE1 GLN A 39 30.529 38.067 22.966 1.00 0.00 O ATOM 649 NE2 GLN A 39 28.283 38.276 23.127 1.00 0.00 N ATOM 0 H GLN A 39 28.849 32.754 22.544 1.00 0.00 H new ATOM 0 HA GLN A 39 27.192 34.933 23.053 1.00 0.00 H new ATOM 0 HB2 GLN A 39 29.810 34.174 23.439 1.00 0.00 H new ATOM 0 HB3 GLN A 39 30.010 35.292 22.105 1.00 0.00 H new ATOM 0 HG2 GLN A 39 28.416 36.160 24.500 1.00 0.00 H new ATOM 0 HG3 GLN A 39 30.162 36.087 24.626 1.00 0.00 H new ATOM 0 HE21 GLN A 39 27.396 37.852 23.399 1.00 0.00 H new ATOM 0 HE22 GLN A 39 28.300 39.218 22.737 1.00 0.00 H new ATOM 898 N SER A 54 22.396 25.071 25.647 1.00 0.00 N ATOM 899 CA SER A 54 22.679 24.301 26.819 1.00 0.00 C ATOM 900 C SER A 54 23.937 24.817 27.429 1.00 0.00 C ATOM 901 O SER A 54 25.030 24.647 26.891 1.00 0.00 O ATOM 902 CB SER A 54 22.836 22.800 26.522 1.00 0.00 C ATOM 903 OG SER A 54 21.588 22.187 26.234 1.00 0.00 O ATOM 0 HA SER A 54 21.834 24.404 27.500 1.00 0.00 H new ATOM 0 HB2 SER A 54 23.511 22.665 25.677 1.00 0.00 H new ATOM 0 HB3 SER A 54 23.295 22.306 27.378 1.00 0.00 H new ATOM 0 HG SER A 54 21.726 21.235 26.049 1.00 0.00 H new ATOM 909 N GLU A 55 23.850 25.473 28.599 1.00 0.00 N ATOM 910 CA GLU A 55 24.958 26.055 29.294 1.00 0.00 C ATOM 911 C GLU A 55 25.925 25.030 29.775 1.00 0.00 C ATOM 912 O GLU A 55 27.141 25.216 29.769 1.00 0.00 O ATOM 913 CB GLU A 55 24.460 26.988 30.411 1.00 0.00 C ATOM 914 CG GLU A 55 23.661 28.148 29.814 1.00 0.00 C ATOM 915 CD GLU A 55 23.339 29.241 30.823 1.00 0.00 C ATOM 916 OE1 GLU A 55 22.496 29.001 31.729 1.00 0.00 O ATOM 917 OE2 GLU A 55 23.889 30.365 30.680 1.00 0.00 O ATOM 0 H GLU A 55 22.963 25.605 29.085 1.00 0.00 H new ATOM 0 HA GLU A 55 25.520 26.667 28.588 1.00 0.00 H new ATOM 0 HB2 GLU A 55 23.837 26.430 31.110 1.00 0.00 H new ATOM 0 HB3 GLU A 55 25.308 27.374 30.977 1.00 0.00 H new ATOM 0 HG2 GLU A 55 24.225 28.581 28.988 1.00 0.00 H new ATOM 0 HG3 GLU A 55 22.730 27.762 29.397 1.00 0.00 H new ATOM 924 N GLU A 56 25.422 23.824 30.096 1.00 0.00 N ATOM 925 CA GLU A 56 26.205 22.640 30.264 1.00 0.00 C ATOM 926 C GLU A 56 26.984 22.183 29.078 1.00 0.00 C ATOM 927 O GLU A 56 27.953 21.448 29.262 1.00 0.00 O ATOM 928 CB GLU A 56 25.311 21.495 30.768 1.00 0.00 C ATOM 929 CG GLU A 56 24.609 21.769 32.100 1.00 0.00 C ATOM 930 CD GLU A 56 23.204 22.343 31.986 1.00 0.00 C ATOM 931 OE1 GLU A 56 23.021 23.472 31.456 1.00 0.00 O ATOM 932 OE2 GLU A 56 22.249 21.683 32.476 1.00 0.00 O ATOM 0 H GLU A 56 24.425 23.668 30.245 1.00 0.00 H new ATOM 0 HA GLU A 56 26.963 22.919 30.996 1.00 0.00 H new ATOM 0 HB2 GLU A 56 24.555 21.283 30.012 1.00 0.00 H new ATOM 0 HB3 GLU A 56 25.919 20.596 30.872 1.00 0.00 H new ATOM 0 HG2 GLU A 56 24.559 20.838 32.664 1.00 0.00 H new ATOM 0 HG3 GLU A 56 25.221 22.460 32.679 1.00 0.00 H new ATOM 939 N GLU A 57 26.665 22.563 27.828 1.00 0.00 N ATOM 940 CA GLU A 57 27.336 22.051 26.673 1.00 0.00 C ATOM 941 C GLU A 57 28.591 22.812 26.420 1.00 0.00 C ATOM 942 O GLU A 57 29.629 22.277 26.031 1.00 0.00 O ATOM 943 CB GLU A 57 26.510 21.958 25.380 1.00 0.00 C ATOM 944 CG GLU A 57 26.696 23.060 24.335 1.00 0.00 C ATOM 945 CD GLU A 57 25.839 22.807 23.104 1.00 0.00 C ATOM 946 OE1 GLU A 57 24.586 22.737 23.218 1.00 0.00 O ATOM 947 OE2 GLU A 57 26.406 22.606 21.997 1.00 0.00 O ATOM 0 H GLU A 57 25.929 23.237 27.615 1.00 0.00 H new ATOM 0 HA GLU A 57 27.546 21.014 26.934 1.00 0.00 H new ATOM 0 HB2 GLU A 57 26.738 21.004 24.905 1.00 0.00 H new ATOM 0 HB3 GLU A 57 25.456 21.933 25.657 1.00 0.00 H new ATOM 0 HG2 GLU A 57 26.435 24.024 24.770 1.00 0.00 H new ATOM 0 HG3 GLU A 57 27.745 23.115 24.045 1.00 0.00 H new ATOM 954 N VAL A 58 28.526 24.136 26.650 1.00 0.00 N ATOM 955 CA VAL A 58 29.605 25.054 26.459 1.00 0.00 C ATOM 956 C VAL A 58 30.717 24.705 27.387 1.00 0.00 C ATOM 957 O VAL A 58 31.886 24.613 27.014 1.00 0.00 O ATOM 958 CB VAL A 58 29.038 26.443 26.500 1.00 0.00 C ATOM 959 CG1 VAL A 58 29.175 27.135 27.868 1.00 0.00 C ATOM 960 CG2 VAL A 58 29.754 27.362 25.496 1.00 0.00 C ATOM 0 H VAL A 58 27.676 24.589 26.987 1.00 0.00 H new ATOM 0 HA VAL A 58 30.086 24.993 25.483 1.00 0.00 H new ATOM 0 HB VAL A 58 27.983 26.305 26.264 1.00 0.00 H new ATOM 0 HG11 VAL A 58 28.742 28.134 27.815 1.00 0.00 H new ATOM 0 HG12 VAL A 58 28.651 26.552 28.625 1.00 0.00 H new ATOM 0 HG13 VAL A 58 30.229 27.210 28.134 1.00 0.00 H new ATOM 0 HG21 VAL A 58 29.323 28.362 25.547 1.00 0.00 H new ATOM 0 HG22 VAL A 58 30.815 27.411 25.740 1.00 0.00 H new ATOM 0 HG23 VAL A 58 29.632 26.965 24.488 1.00 0.00 H new ATOM 970 N PHE A 59 30.327 24.340 28.620 1.00 0.00 N ATOM 971 CA PHE A 59 31.093 23.640 29.605 1.00 0.00 C ATOM 972 C PHE A 59 31.626 22.324 29.155 1.00 0.00 C ATOM 973 O PHE A 59 32.838 22.114 29.190 1.00 0.00 O ATOM 974 CB PHE A 59 30.225 23.501 30.868 1.00 0.00 C ATOM 975 CG PHE A 59 30.902 22.890 32.045 1.00 0.00 C ATOM 976 CD1 PHE A 59 30.870 21.529 32.242 1.00 0.00 C ATOM 977 CD2 PHE A 59 31.516 23.679 32.988 1.00 0.00 C ATOM 978 CE1 PHE A 59 31.443 20.962 33.355 1.00 0.00 C ATOM 979 CE2 PHE A 59 32.072 23.127 34.119 1.00 0.00 C ATOM 980 CZ PHE A 59 32.033 21.766 34.304 1.00 0.00 C ATOM 0 H PHE A 59 29.389 24.555 28.958 1.00 0.00 H new ATOM 0 HA PHE A 59 31.989 24.226 29.810 1.00 0.00 H new ATOM 0 HB2 PHE A 59 29.864 24.490 31.151 1.00 0.00 H new ATOM 0 HB3 PHE A 59 29.349 22.901 30.622 1.00 0.00 H new ATOM 0 HD1 PHE A 59 30.388 20.897 31.511 1.00 0.00 H new ATOM 0 HD2 PHE A 59 31.563 24.748 32.839 1.00 0.00 H new ATOM 0 HE1 PHE A 59 31.430 19.890 33.485 1.00 0.00 H new ATOM 0 HE2 PHE A 59 32.538 23.761 34.859 1.00 0.00 H new ATOM 0 HZ PHE A 59 32.464 21.328 35.192 1.00 0.00 H new ATOM 990 N THR A 60 30.780 21.381 28.705 1.00 0.00 N ATOM 991 CA THR A 60 31.121 20.072 28.238 1.00 0.00 C ATOM 992 C THR A 60 32.211 20.042 27.222 1.00 0.00 C ATOM 993 O THR A 60 33.132 19.228 27.284 1.00 0.00 O ATOM 994 CB THR A 60 29.944 19.255 27.795 1.00 0.00 C ATOM 995 OG1 THR A 60 29.906 17.988 28.436 1.00 0.00 O ATOM 996 CG2 THR A 60 29.852 18.980 26.284 1.00 0.00 C ATOM 0 H THR A 60 29.775 21.549 28.665 1.00 0.00 H new ATOM 0 HA THR A 60 31.521 19.592 29.131 1.00 0.00 H new ATOM 0 HB THR A 60 29.103 19.888 28.078 1.00 0.00 H new ATOM 0 HG1 THR A 60 29.125 17.486 28.123 1.00 0.00 H new ATOM 0 HG21 THR A 60 28.965 18.382 26.076 1.00 0.00 H new ATOM 0 HG22 THR A 60 29.787 19.925 25.745 1.00 0.00 H new ATOM 0 HG23 THR A 60 30.739 18.437 25.958 1.00 0.00 H new ATOM 1004 N GLU A 61 32.159 20.972 26.253 1.00 0.00 N ATOM 1005 CA GLU A 61 33.130 21.093 25.209 1.00 0.00 C ATOM 1006 C GLU A 61 34.404 21.652 25.740 1.00 0.00 C ATOM 1007 O GLU A 61 35.443 21.018 25.566 1.00 0.00 O ATOM 1008 CB GLU A 61 32.563 21.801 23.968 1.00 0.00 C ATOM 1009 CG GLU A 61 31.409 21.075 23.272 1.00 0.00 C ATOM 1010 CD GLU A 61 31.790 19.764 22.600 1.00 0.00 C ATOM 1011 OE1 GLU A 61 32.113 18.763 23.295 1.00 0.00 O ATOM 1012 OE2 GLU A 61 31.703 19.688 21.346 1.00 0.00 O ATOM 0 H GLU A 61 31.414 21.666 26.193 1.00 0.00 H new ATOM 0 HA GLU A 61 33.384 20.099 24.840 1.00 0.00 H new ATOM 0 HB2 GLU A 61 32.222 22.794 24.260 1.00 0.00 H new ATOM 0 HB3 GLU A 61 33.370 21.940 23.249 1.00 0.00 H new ATOM 0 HG2 GLU A 61 30.628 20.877 24.006 1.00 0.00 H new ATOM 0 HG3 GLU A 61 30.980 21.740 22.522 1.00 0.00 H new ATOM 1019 N VAL A 62 34.408 22.768 26.491 1.00 0.00 N ATOM 1020 CA VAL A 62 35.549 23.341 27.136 1.00 0.00 C ATOM 1021 C VAL A 62 36.330 22.403 27.991 1.00 0.00 C ATOM 1022 O VAL A 62 37.560 22.399 28.028 1.00 0.00 O ATOM 1023 CB VAL A 62 35.109 24.539 27.925 1.00 0.00 C ATOM 1024 CG1 VAL A 62 36.202 25.092 28.856 1.00 0.00 C ATOM 1025 CG2 VAL A 62 34.736 25.621 26.897 1.00 0.00 C ATOM 0 H VAL A 62 33.557 23.305 26.658 1.00 0.00 H new ATOM 0 HA VAL A 62 36.242 23.624 26.343 1.00 0.00 H new ATOM 0 HB VAL A 62 34.278 24.250 28.568 1.00 0.00 H new ATOM 0 HG11 VAL A 62 35.817 25.957 29.396 1.00 0.00 H new ATOM 0 HG12 VAL A 62 36.497 24.322 29.568 1.00 0.00 H new ATOM 0 HG13 VAL A 62 37.068 25.390 28.264 1.00 0.00 H new ATOM 0 HG21 VAL A 62 34.407 26.520 27.418 1.00 0.00 H new ATOM 0 HG22 VAL A 62 35.606 25.855 26.283 1.00 0.00 H new ATOM 0 HG23 VAL A 62 33.931 25.255 26.260 1.00 0.00 H new ATOM 1035 N ALA A 63 35.614 21.487 28.667 1.00 0.00 N ATOM 1036 CA ALA A 63 36.147 20.457 29.503 1.00 0.00 C ATOM 1037 C ALA A 63 37.001 19.499 28.747 1.00 0.00 C ATOM 1038 O ALA A 63 38.013 19.017 29.251 1.00 0.00 O ATOM 1039 CB ALA A 63 35.019 19.652 30.170 1.00 0.00 C ATOM 0 H ALA A 63 34.595 21.465 28.626 1.00 0.00 H new ATOM 0 HA ALA A 63 36.754 20.965 30.253 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.451 18.875 30.801 1.00 0.00 H new ATOM 0 HB2 ALA A 63 34.409 20.318 30.781 1.00 0.00 H new ATOM 0 HB3 ALA A 63 34.397 19.192 29.402 1.00 0.00 H new ATOM 1045 N ASN A 64 36.654 19.219 27.478 1.00 0.00 N ATOM 1046 CA ASN A 64 37.372 18.278 26.676 1.00 0.00 C ATOM 1047 C ASN A 64 38.721 18.780 26.289 1.00 0.00 C ATOM 1048 O ASN A 64 39.666 18.010 26.119 1.00 0.00 O ATOM 1049 CB ASN A 64 36.558 17.724 25.493 1.00 0.00 C ATOM 1050 CG ASN A 64 36.572 18.509 24.189 1.00 0.00 C ATOM 1051 OD1 ASN A 64 37.610 18.774 23.585 1.00 0.00 O ATOM 1052 ND2 ASN A 64 35.370 18.880 23.670 1.00 0.00 N ATOM 0 H ASN A 64 35.863 19.652 27.002 1.00 0.00 H new ATOM 0 HA ASN A 64 37.544 17.411 27.314 1.00 0.00 H new ATOM 0 HB2 ASN A 64 36.919 16.717 25.281 1.00 0.00 H new ATOM 0 HB3 ASN A 64 35.521 17.630 25.816 1.00 0.00 H new ATOM 0 HD21 ASN A 64 35.330 19.378 22.780 1.00 0.00 H new ATOM 0 HD22 ASN A 64 34.509 18.660 24.170 1.00 0.00 H new ATOM 1059 N LEU A 65 38.852 20.113 26.174 1.00 0.00 N ATOM 1060 CA LEU A 65 40.095 20.780 25.947 1.00 0.00 C ATOM 1061 C LEU A 65 40.970 20.796 27.154 1.00 0.00 C ATOM 1062 O LEU A 65 42.183 20.610 27.077 1.00 0.00 O ATOM 1063 CB LEU A 65 39.953 22.237 25.474 1.00 0.00 C ATOM 1064 CG LEU A 65 39.154 22.402 24.170 1.00 0.00 C ATOM 1065 CD1 LEU A 65 37.675 22.660 24.505 1.00 0.00 C ATOM 1066 CD2 LEU A 65 39.680 23.561 23.306 1.00 0.00 C ATOM 0 H LEU A 65 38.060 20.752 26.242 1.00 0.00 H new ATOM 0 HA LEU A 65 40.547 20.189 25.151 1.00 0.00 H new ATOM 0 HB2 LEU A 65 39.468 22.817 26.260 1.00 0.00 H new ATOM 0 HB3 LEU A 65 40.948 22.660 25.333 1.00 0.00 H new ATOM 0 HG LEU A 65 39.267 21.480 23.599 1.00 0.00 H new ATOM 0 HD11 LEU A 65 37.108 22.777 23.582 1.00 0.00 H new ATOM 0 HD12 LEU A 65 37.278 21.817 25.070 1.00 0.00 H new ATOM 0 HD13 LEU A 65 37.590 23.569 25.101 1.00 0.00 H new ATOM 0 HD21 LEU A 65 39.084 23.637 22.397 1.00 0.00 H new ATOM 0 HD22 LEU A 65 39.609 24.494 23.866 1.00 0.00 H new ATOM 0 HD23 LEU A 65 40.721 23.375 23.042 1.00 0.00 H new ATOM 1078 N PHE A 66 40.370 21.039 28.332 1.00 0.00 N ATOM 1079 CA PHE A 66 41.036 21.434 29.534 1.00 0.00 C ATOM 1080 C PHE A 66 41.421 20.257 30.363 1.00 0.00 C ATOM 1081 O PHE A 66 42.281 20.352 31.238 1.00 0.00 O ATOM 1082 CB PHE A 66 40.134 22.343 30.385 1.00 0.00 C ATOM 1083 CG PHE A 66 39.963 23.742 29.900 1.00 0.00 C ATOM 1084 CD1 PHE A 66 40.443 24.225 28.704 1.00 0.00 C ATOM 1085 CD2 PHE A 66 39.290 24.608 30.730 1.00 0.00 C ATOM 1086 CE1 PHE A 66 40.266 25.541 28.350 1.00 0.00 C ATOM 1087 CE2 PHE A 66 39.130 25.934 30.403 1.00 0.00 C ATOM 1088 CZ PHE A 66 39.625 26.402 29.209 1.00 0.00 C ATOM 0 H PHE A 66 39.361 20.955 28.452 1.00 0.00 H new ATOM 0 HA PHE A 66 41.934 21.971 29.230 1.00 0.00 H new ATOM 0 HB2 PHE A 66 39.149 21.881 30.453 1.00 0.00 H new ATOM 0 HB3 PHE A 66 40.540 22.378 31.396 1.00 0.00 H new ATOM 0 HD1 PHE A 66 40.967 23.560 28.034 1.00 0.00 H new ATOM 0 HD2 PHE A 66 38.879 24.239 31.658 1.00 0.00 H new ATOM 0 HE1 PHE A 66 40.630 25.898 27.398 1.00 0.00 H new ATOM 0 HE2 PHE A 66 38.619 26.603 31.079 1.00 0.00 H new ATOM 0 HZ PHE A 66 39.511 27.443 28.946 1.00 0.00 H new ATOM 1098 N ARG A 67 40.779 19.111 30.075 1.00 0.00 N ATOM 1099 CA ARG A 67 40.833 17.798 30.637 1.00 0.00 C ATOM 1100 C ARG A 67 41.964 17.398 31.520 1.00 0.00 C ATOM 1101 O ARG A 67 43.145 17.537 31.203 1.00 0.00 O ATOM 1102 CB ARG A 67 40.577 16.810 29.485 1.00 0.00 C ATOM 1103 CG ARG A 67 41.781 16.387 28.641 1.00 0.00 C ATOM 1104 CD ARG A 67 42.526 17.508 27.913 1.00 0.00 C ATOM 1105 NE ARG A 67 43.675 16.913 27.175 1.00 0.00 N ATOM 1106 CZ ARG A 67 44.374 17.607 26.230 1.00 0.00 C ATOM 1107 NH1 ARG A 67 44.116 18.918 25.954 1.00 0.00 N ATOM 1108 NH2 ARG A 67 45.346 16.985 25.498 1.00 0.00 N ATOM 0 H ARG A 67 40.104 19.118 29.310 1.00 0.00 H new ATOM 0 HA ARG A 67 40.058 17.787 31.403 1.00 0.00 H new ATOM 0 HB2 ARG A 67 40.128 15.911 29.906 1.00 0.00 H new ATOM 0 HB3 ARG A 67 39.837 17.254 28.819 1.00 0.00 H new ATOM 0 HG2 ARG A 67 42.489 15.871 29.289 1.00 0.00 H new ATOM 0 HG3 ARG A 67 41.442 15.664 27.899 1.00 0.00 H new ATOM 0 HD2 ARG A 67 41.857 18.020 27.222 1.00 0.00 H new ATOM 0 HD3 ARG A 67 42.879 18.253 28.626 1.00 0.00 H new ATOM 0 HE ARG A 67 43.949 15.953 27.383 1.00 0.00 H new ATOM 0 HH11 ARG A 67 43.381 19.411 26.461 1.00 0.00 H new ATOM 0 HH12 ARG A 67 44.659 19.405 25.241 1.00 0.00 H new ATOM 0 HH21 ARG A 67 45.551 15.999 25.657 1.00 0.00 H new ATOM 0 HH22 ARG A 67 45.866 17.507 24.793 1.00 0.00 H new ATOM 1122 N GLY A 68 41.640 16.912 32.731 1.00 0.00 N ATOM 1123 CA GLY A 68 42.596 16.622 33.754 1.00 0.00 C ATOM 1124 C GLY A 68 42.548 17.699 34.783 1.00 0.00 C ATOM 1125 O GLY A 68 42.515 17.448 35.986 1.00 0.00 O ATOM 0 H GLY A 68 40.679 16.714 33.008 1.00 0.00 H new ATOM 0 HA2 GLY A 68 42.378 15.656 34.210 1.00 0.00 H new ATOM 0 HA3 GLY A 68 43.596 16.554 33.326 1.00 0.00 H new ATOM 1129 N GLN A 69 42.519 18.963 34.323 1.00 0.00 N ATOM 1130 CA GLN A 69 42.499 20.104 35.183 1.00 0.00 C ATOM 1131 C GLN A 69 41.108 20.429 35.609 1.00 0.00 C ATOM 1132 O GLN A 69 40.317 21.036 34.889 1.00 0.00 O ATOM 1133 CB GLN A 69 43.136 21.331 34.507 1.00 0.00 C ATOM 1134 CG GLN A 69 44.560 21.064 34.015 1.00 0.00 C ATOM 1135 CD GLN A 69 45.174 22.307 33.388 1.00 0.00 C ATOM 1136 OE1 GLN A 69 46.021 22.978 33.976 1.00 0.00 O ATOM 1137 NE2 GLN A 69 44.734 22.629 32.142 1.00 0.00 N ATOM 0 H GLN A 69 42.509 19.197 33.330 1.00 0.00 H new ATOM 0 HA GLN A 69 43.088 19.851 36.064 1.00 0.00 H new ATOM 0 HB2 GLN A 69 42.517 21.638 33.664 1.00 0.00 H new ATOM 0 HB3 GLN A 69 43.150 22.162 35.212 1.00 0.00 H new ATOM 0 HG2 GLN A 69 45.178 20.732 34.849 1.00 0.00 H new ATOM 0 HG3 GLN A 69 44.548 20.255 33.285 1.00 0.00 H new ATOM 0 HE21 GLN A 69 44.030 22.050 31.684 1.00 0.00 H new ATOM 0 HE22 GLN A 69 45.108 23.450 31.665 1.00 0.00 H new ATOM 1146 N GLU A 70 40.744 20.013 36.835 1.00 0.00 N ATOM 1147 CA GLU A 70 39.480 20.294 37.444 1.00 0.00 C ATOM 1148 C GLU A 70 39.355 21.706 37.905 1.00 0.00 C ATOM 1149 O GLU A 70 38.260 22.263 37.924 1.00 0.00 O ATOM 1150 CB GLU A 70 39.142 19.320 38.584 1.00 0.00 C ATOM 1151 CG GLU A 70 39.995 19.354 39.855 1.00 0.00 C ATOM 1152 CD GLU A 70 39.382 18.516 40.968 1.00 0.00 C ATOM 1153 OE1 GLU A 70 38.318 18.907 41.517 1.00 0.00 O ATOM 1154 OE2 GLU A 70 39.952 17.457 41.345 1.00 0.00 O ATOM 0 H GLU A 70 41.358 19.456 37.429 1.00 0.00 H new ATOM 0 HA GLU A 70 38.746 20.146 36.652 1.00 0.00 H new ATOM 0 HB2 GLU A 70 38.107 19.498 38.875 1.00 0.00 H new ATOM 0 HB3 GLU A 70 39.190 18.309 38.180 1.00 0.00 H new ATOM 0 HG2 GLU A 70 40.996 18.985 39.631 1.00 0.00 H new ATOM 0 HG3 GLU A 70 40.103 20.385 40.193 1.00 0.00 H new ATOM 1161 N ASP A 71 40.499 22.339 38.221 1.00 0.00 N ATOM 1162 CA ASP A 71 40.718 23.693 38.627 1.00 0.00 C ATOM 1163 C ASP A 71 39.927 24.695 37.860 1.00 0.00 C ATOM 1164 O ASP A 71 39.152 25.491 38.387 1.00 0.00 O ATOM 1165 CB ASP A 71 42.224 23.949 38.456 1.00 0.00 C ATOM 1166 CG ASP A 71 42.732 25.172 39.207 1.00 0.00 C ATOM 1167 OD1 ASP A 71 42.469 25.263 40.437 1.00 0.00 O ATOM 1168 OD2 ASP A 71 43.450 26.003 38.590 1.00 0.00 O ATOM 0 H ASP A 71 41.383 21.831 38.186 1.00 0.00 H new ATOM 0 HA ASP A 71 40.383 23.814 39.657 1.00 0.00 H new ATOM 0 HB2 ASP A 71 42.773 23.071 38.798 1.00 0.00 H new ATOM 0 HB3 ASP A 71 42.444 24.069 37.395 1.00 0.00 H new ATOM 1173 N LEU A 72 40.072 24.642 36.524 1.00 0.00 N ATOM 1174 CA LEU A 72 39.482 25.567 35.607 1.00 0.00 C ATOM 1175 C LEU A 72 37.997 25.474 35.531 1.00 0.00 C ATOM 1176 O LEU A 72 37.305 26.491 35.522 1.00 0.00 O ATOM 1177 CB LEU A 72 40.114 25.358 34.220 1.00 0.00 C ATOM 1178 CG LEU A 72 41.649 25.449 34.209 1.00 0.00 C ATOM 1179 CD1 LEU A 72 42.168 25.319 32.768 1.00 0.00 C ATOM 1180 CD2 LEU A 72 42.188 26.742 34.846 1.00 0.00 C ATOM 0 H LEU A 72 40.626 23.921 36.062 1.00 0.00 H new ATOM 0 HA LEU A 72 39.688 26.571 35.977 1.00 0.00 H new ATOM 0 HB2 LEU A 72 39.816 24.381 33.840 1.00 0.00 H new ATOM 0 HB3 LEU A 72 39.712 26.103 33.533 1.00 0.00 H new ATOM 0 HG LEU A 72 42.016 24.625 34.820 1.00 0.00 H new ATOM 0 HD11 LEU A 72 43.256 25.384 32.766 1.00 0.00 H new ATOM 0 HD12 LEU A 72 41.861 24.358 32.356 1.00 0.00 H new ATOM 0 HD13 LEU A 72 41.755 26.123 32.159 1.00 0.00 H new ATOM 0 HD21 LEU A 72 43.277 26.741 34.805 1.00 0.00 H new ATOM 0 HD22 LEU A 72 41.805 27.604 34.300 1.00 0.00 H new ATOM 0 HD23 LEU A 72 41.864 26.798 35.885 1.00 0.00 H new ATOM 1192 N LEU A 73 37.410 24.265 35.501 1.00 0.00 N ATOM 1193 CA LEU A 73 35.997 24.071 35.398 1.00 0.00 C ATOM 1194 C LEU A 73 35.302 24.347 36.687 1.00 0.00 C ATOM 1195 O LEU A 73 34.129 24.713 36.738 1.00 0.00 O ATOM 1196 CB LEU A 73 35.640 22.645 34.945 1.00 0.00 C ATOM 1197 CG LEU A 73 35.984 22.282 33.491 1.00 0.00 C ATOM 1198 CD1 LEU A 73 35.431 23.275 32.455 1.00 0.00 C ATOM 1199 CD2 LEU A 73 37.494 22.045 33.322 1.00 0.00 C ATOM 0 H LEU A 73 37.936 23.393 35.550 1.00 0.00 H new ATOM 0 HA LEU A 73 35.657 24.782 34.645 1.00 0.00 H new ATOM 0 HB2 LEU A 73 36.149 21.940 35.602 1.00 0.00 H new ATOM 0 HB3 LEU A 73 34.570 22.499 35.089 1.00 0.00 H new ATOM 0 HG LEU A 73 35.470 21.344 33.282 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.715 22.952 31.453 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.344 23.312 32.530 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.842 24.266 32.646 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.708 21.790 32.284 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.037 22.951 33.593 1.00 0.00 H new ATOM 0 HD23 LEU A 73 37.808 21.226 33.969 1.00 0.00 H new ATOM 1211 N SER A 74 36.048 24.235 37.800 1.00 0.00 N ATOM 1212 CA SER A 74 35.606 24.540 39.125 1.00 0.00 C ATOM 1213 C SER A 74 35.289 25.987 39.278 1.00 0.00 C ATOM 1214 O SER A 74 34.190 26.387 39.660 1.00 0.00 O ATOM 1215 CB SER A 74 36.633 24.118 40.190 1.00 0.00 C ATOM 1216 OG SER A 74 36.147 24.290 41.513 1.00 0.00 O ATOM 0 H SER A 74 37.015 23.913 37.773 1.00 0.00 H new ATOM 0 HA SER A 74 34.695 23.963 39.282 1.00 0.00 H new ATOM 0 HB2 SER A 74 36.900 23.072 40.038 1.00 0.00 H new ATOM 0 HB3 SER A 74 37.545 24.702 40.063 1.00 0.00 H new ATOM 0 HG SER A 74 36.833 24.007 42.153 1.00 0.00 H new ATOM 1222 N GLU A 75 36.248 26.859 38.918 1.00 0.00 N ATOM 1223 CA GLU A 75 36.108 28.282 38.895 1.00 0.00 C ATOM 1224 C GLU A 75 35.258 28.779 37.777 1.00 0.00 C ATOM 1225 O GLU A 75 34.744 29.895 37.827 1.00 0.00 O ATOM 1226 CB GLU A 75 37.465 28.994 39.014 1.00 0.00 C ATOM 1227 CG GLU A 75 38.213 28.547 40.272 1.00 0.00 C ATOM 1228 CD GLU A 75 39.425 29.401 40.617 1.00 0.00 C ATOM 1229 OE1 GLU A 75 39.251 30.548 41.110 1.00 0.00 O ATOM 1230 OE2 GLU A 75 40.573 28.930 40.400 1.00 0.00 O ATOM 0 H GLU A 75 37.176 26.552 38.626 1.00 0.00 H new ATOM 0 HA GLU A 75 35.549 28.552 39.791 1.00 0.00 H new ATOM 0 HB2 GLU A 75 38.070 28.781 38.133 1.00 0.00 H new ATOM 0 HB3 GLU A 75 37.312 30.073 39.042 1.00 0.00 H new ATOM 0 HG2 GLU A 75 37.522 28.560 41.115 1.00 0.00 H new ATOM 0 HG3 GLU A 75 38.536 27.514 40.141 1.00 0.00 H new ATOM 1237 N PHE A 76 35.013 27.972 36.728 1.00 0.00 N ATOM 1238 CA PHE A 76 34.020 28.249 35.738 1.00 0.00 C ATOM 1239 C PHE A 76 32.638 28.237 36.294 1.00 0.00 C ATOM 1240 O PHE A 76 31.731 28.934 35.843 1.00 0.00 O ATOM 1241 CB PHE A 76 34.118 27.195 34.622 1.00 0.00 C ATOM 1242 CG PHE A 76 33.702 27.576 33.243 1.00 0.00 C ATOM 1243 CD1 PHE A 76 33.379 28.853 32.851 1.00 0.00 C ATOM 1244 CD2 PHE A 76 33.705 26.578 32.298 1.00 0.00 C ATOM 1245 CE1 PHE A 76 33.100 29.124 31.532 1.00 0.00 C ATOM 1246 CE2 PHE A 76 33.417 26.836 30.978 1.00 0.00 C ATOM 1247 CZ PHE A 76 33.136 28.124 30.588 1.00 0.00 C ATOM 0 H PHE A 76 35.521 27.102 36.565 1.00 0.00 H new ATOM 0 HA PHE A 76 34.211 29.251 35.354 1.00 0.00 H new ATOM 0 HB2 PHE A 76 35.154 26.859 34.574 1.00 0.00 H new ATOM 0 HB3 PHE A 76 33.518 26.337 34.924 1.00 0.00 H new ATOM 0 HD1 PHE A 76 33.344 29.647 33.582 1.00 0.00 H new ATOM 0 HD2 PHE A 76 33.939 25.568 32.599 1.00 0.00 H new ATOM 0 HE1 PHE A 76 32.850 30.132 31.234 1.00 0.00 H new ATOM 0 HE2 PHE A 76 33.412 26.034 30.255 1.00 0.00 H new ATOM 0 HZ PHE A 76 32.945 28.349 29.549 1.00 0.00 H new ATOM 1257 N GLY A 77 32.453 27.454 37.373 1.00 0.00 N ATOM 1258 CA GLY A 77 31.267 27.207 38.133 1.00 0.00 C ATOM 1259 C GLY A 77 30.628 28.372 38.807 1.00 0.00 C ATOM 1260 O GLY A 77 29.485 28.281 39.251 1.00 0.00 O ATOM 0 H GLY A 77 33.239 26.929 37.757 1.00 0.00 H new ATOM 0 HA2 GLY A 77 30.529 26.756 37.469 1.00 0.00 H new ATOM 0 HA3 GLY A 77 31.504 26.465 38.896 1.00 0.00 H new ATOM 1264 N GLN A 78 31.333 29.509 38.945 1.00 0.00 N ATOM 1265 CA GLN A 78 30.825 30.736 39.476 1.00 0.00 C ATOM 1266 C GLN A 78 29.497 31.149 38.942 1.00 0.00 C ATOM 1267 O GLN A 78 28.580 31.521 39.672 1.00 0.00 O ATOM 1268 CB GLN A 78 31.786 31.884 39.123 1.00 0.00 C ATOM 1269 CG GLN A 78 33.145 31.739 39.810 1.00 0.00 C ATOM 1270 CD GLN A 78 33.038 32.138 41.275 1.00 0.00 C ATOM 1271 OE1 GLN A 78 32.713 33.271 41.624 1.00 0.00 O ATOM 1272 NE2 GLN A 78 33.268 31.155 42.187 1.00 0.00 N ATOM 0 H GLN A 78 32.313 29.575 38.670 1.00 0.00 H new ATOM 0 HA GLN A 78 30.726 30.551 40.546 1.00 0.00 H new ATOM 0 HB2 GLN A 78 31.929 31.915 38.043 1.00 0.00 H new ATOM 0 HB3 GLN A 78 31.335 32.833 39.412 1.00 0.00 H new ATOM 0 HG2 GLN A 78 33.493 30.709 39.730 1.00 0.00 H new ATOM 0 HG3 GLN A 78 33.883 32.365 39.308 1.00 0.00 H new ATOM 0 HE21 GLN A 78 33.537 30.222 41.874 1.00 0.00 H new ATOM 0 HE22 GLN A 78 33.172 31.351 43.183 1.00 0.00 H new ATOM 1466 N ASN B 201 28.467 35.900 33.856 1.00 0.00 N ATOM 1467 CA ASN B 201 27.885 35.150 32.787 1.00 0.00 C ATOM 1468 C ASN B 201 29.043 34.571 32.048 1.00 0.00 C ATOM 1469 O ASN B 201 30.190 34.807 32.424 1.00 0.00 O ATOM 1470 CB ASN B 201 26.914 35.941 31.896 1.00 0.00 C ATOM 1471 CG ASN B 201 27.500 37.251 31.390 1.00 0.00 C ATOM 1472 OD1 ASN B 201 28.711 37.435 31.276 1.00 0.00 O ATOM 1473 ND2 ASN B 201 26.611 38.207 31.007 1.00 0.00 N ATOM 0 HA ASN B 201 27.227 34.374 33.178 1.00 0.00 H new ATOM 0 HB2 ASN B 201 26.628 35.325 31.044 1.00 0.00 H new ATOM 0 HB3 ASN B 201 26.003 36.150 32.458 1.00 0.00 H new ATOM 0 HD21 ASN B 201 26.946 39.089 30.620 1.00 0.00 H new ATOM 0 HD22 ASN B 201 25.609 38.042 31.107 1.00 0.00 H new ATOM 1480 N ILE B 202 28.819 33.830 30.948 1.00 0.00 N ATOM 1481 CA ILE B 202 29.862 33.427 30.057 1.00 0.00 C ATOM 1482 C ILE B 202 30.253 34.512 29.112 1.00 0.00 C ATOM 1483 O ILE B 202 31.386 34.563 28.638 1.00 0.00 O ATOM 1484 CB ILE B 202 29.576 32.113 29.394 1.00 0.00 C ATOM 1485 CG1 ILE B 202 30.349 31.049 30.191 1.00 0.00 C ATOM 1486 CG2 ILE B 202 29.918 32.065 27.896 1.00 0.00 C ATOM 1487 CD1 ILE B 202 30.155 29.608 29.723 1.00 0.00 C ATOM 0 H ILE B 202 27.893 33.504 30.672 1.00 0.00 H new ATOM 0 HA ILE B 202 30.748 33.248 30.666 1.00 0.00 H new ATOM 0 HB ILE B 202 28.501 31.933 29.410 1.00 0.00 H new ATOM 0 HG12 ILE B 202 31.412 31.287 30.146 1.00 0.00 H new ATOM 0 HG13 ILE B 202 30.051 31.116 31.237 1.00 0.00 H new ATOM 0 HG21 ILE B 202 29.679 31.078 27.500 1.00 0.00 H new ATOM 0 HG22 ILE B 202 29.337 32.820 27.366 1.00 0.00 H new ATOM 0 HG23 ILE B 202 30.981 32.263 27.759 1.00 0.00 H new ATOM 0 HD11 ILE B 202 30.743 28.939 30.351 1.00 0.00 H new ATOM 0 HD12 ILE B 202 29.101 29.341 29.796 1.00 0.00 H new ATOM 0 HD13 ILE B 202 30.483 29.515 28.688 1.00 0.00 H new ATOM 1499 N GLN B 203 29.352 35.476 28.854 1.00 0.00 N ATOM 1500 CA GLN B 203 29.546 36.594 27.983 1.00 0.00 C ATOM 1501 C GLN B 203 30.779 37.391 28.235 1.00 0.00 C ATOM 1502 O GLN B 203 31.474 37.798 27.307 1.00 0.00 O ATOM 1503 CB GLN B 203 28.322 37.524 28.008 1.00 0.00 C ATOM 1504 CG GLN B 203 28.141 38.343 26.728 1.00 0.00 C ATOM 1505 CD GLN B 203 27.418 39.656 26.994 1.00 0.00 C ATOM 1506 OE1 GLN B 203 26.223 39.704 27.281 1.00 0.00 O ATOM 1507 NE2 GLN B 203 28.169 40.782 26.866 1.00 0.00 N ATOM 0 H GLN B 203 28.426 35.474 29.283 1.00 0.00 H new ATOM 0 HA GLN B 203 29.675 36.149 26.996 1.00 0.00 H new ATOM 0 HB2 GLN B 203 27.426 36.926 28.175 1.00 0.00 H new ATOM 0 HB3 GLN B 203 28.412 38.205 28.854 1.00 0.00 H new ATOM 0 HG2 GLN B 203 29.116 38.548 26.287 1.00 0.00 H new ATOM 0 HG3 GLN B 203 27.578 37.759 26.000 1.00 0.00 H new ATOM 0 HE21 GLN B 203 29.158 40.711 26.627 1.00 0.00 H new ATOM 0 HE22 GLN B 203 27.743 41.698 27.009 1.00 0.00 H new ATOM 1516 N MET B 204 31.133 37.587 29.518 1.00 0.00 N ATOM 1517 CA MET B 204 32.368 38.151 29.966 1.00 0.00 C ATOM 1518 C MET B 204 33.607 37.546 29.402 1.00 0.00 C ATOM 1519 O MET B 204 34.582 38.256 29.159 1.00 0.00 O ATOM 1520 CB MET B 204 32.485 38.021 31.495 1.00 0.00 C ATOM 1521 CG MET B 204 31.582 38.955 32.303 1.00 0.00 C ATOM 1522 SD MET B 204 32.171 40.674 32.359 1.00 0.00 S ATOM 1523 CE MET B 204 31.846 40.894 34.133 1.00 0.00 C ATOM 0 H MET B 204 30.517 37.335 30.291 1.00 0.00 H new ATOM 0 HA MET B 204 32.317 39.182 29.615 1.00 0.00 H new ATOM 0 HB2 MET B 204 32.258 36.992 31.774 1.00 0.00 H new ATOM 0 HB3 MET B 204 33.520 38.207 31.781 1.00 0.00 H new ATOM 0 HG2 MET B 204 30.580 38.937 31.874 1.00 0.00 H new ATOM 0 HG3 MET B 204 31.500 38.575 33.321 1.00 0.00 H new ATOM 0 HE1 MET B 204 32.131 41.902 34.433 1.00 0.00 H new ATOM 0 HE2 MET B 204 30.785 40.743 34.330 1.00 0.00 H new ATOM 0 HE3 MET B 204 32.427 40.168 34.702 1.00 0.00 H new ATOM 1533 N LEU B 205 33.662 36.227 29.142 1.00 0.00 N ATOM 1534 CA LEU B 205 34.865 35.562 28.751 1.00 0.00 C ATOM 1535 C LEU B 205 35.403 35.935 27.413 1.00 0.00 C ATOM 1536 O LEU B 205 36.611 35.943 27.182 1.00 0.00 O ATOM 1537 CB LEU B 205 34.749 34.032 28.860 1.00 0.00 C ATOM 1538 CG LEU B 205 34.814 33.491 30.298 1.00 0.00 C ATOM 1539 CD1 LEU B 205 34.517 31.982 30.311 1.00 0.00 C ATOM 1540 CD2 LEU B 205 36.186 33.754 30.939 1.00 0.00 C ATOM 0 H LEU B 205 32.852 35.610 29.205 1.00 0.00 H new ATOM 0 HA LEU B 205 35.593 35.927 29.476 1.00 0.00 H new ATOM 0 HB2 LEU B 205 33.808 33.718 28.409 1.00 0.00 H new ATOM 0 HB3 LEU B 205 35.549 33.577 28.277 1.00 0.00 H new ATOM 0 HG LEU B 205 34.060 34.017 30.883 1.00 0.00 H new ATOM 0 HD11 LEU B 205 34.566 31.610 31.335 1.00 0.00 H new ATOM 0 HD12 LEU B 205 33.520 31.804 29.908 1.00 0.00 H new ATOM 0 HD13 LEU B 205 35.254 31.461 29.700 1.00 0.00 H new ATOM 0 HD21 LEU B 205 36.195 33.358 31.955 1.00 0.00 H new ATOM 0 HD22 LEU B 205 36.962 33.264 30.351 1.00 0.00 H new ATOM 0 HD23 LEU B 205 36.375 34.827 30.966 1.00 0.00 H new ATOM 1552 N LEU B 206 34.506 36.296 26.477 1.00 0.00 N ATOM 1553 CA LEU B 206 34.853 36.698 25.149 1.00 0.00 C ATOM 1554 C LEU B 206 35.324 38.112 25.133 1.00 0.00 C ATOM 1555 O LEU B 206 36.056 38.520 24.232 1.00 0.00 O ATOM 1556 CB LEU B 206 33.597 36.503 24.284 1.00 0.00 C ATOM 1557 CG LEU B 206 33.106 35.047 24.196 1.00 0.00 C ATOM 1558 CD1 LEU B 206 34.243 34.102 23.772 1.00 0.00 C ATOM 1559 CD2 LEU B 206 32.377 34.499 25.434 1.00 0.00 C ATOM 0 H LEU B 206 33.501 36.308 26.652 1.00 0.00 H new ATOM 0 HA LEU B 206 35.675 36.100 24.756 1.00 0.00 H new ATOM 0 HB2 LEU B 206 32.794 37.121 24.686 1.00 0.00 H new ATOM 0 HB3 LEU B 206 33.804 36.865 23.277 1.00 0.00 H new ATOM 0 HG LEU B 206 32.337 35.080 23.424 1.00 0.00 H new ATOM 0 HD11 LEU B 206 33.866 33.081 23.718 1.00 0.00 H new ATOM 0 HD12 LEU B 206 34.620 34.402 22.794 1.00 0.00 H new ATOM 0 HD13 LEU B 206 35.050 34.153 24.503 1.00 0.00 H new ATOM 0 HD21 LEU B 206 32.079 33.466 25.253 1.00 0.00 H new ATOM 0 HD22 LEU B 206 33.043 34.539 26.296 1.00 0.00 H new ATOM 0 HD23 LEU B 206 31.491 35.103 25.632 1.00 0.00 H new ATOM 1571 N GLU B 207 34.923 38.908 26.140 1.00 0.00 N ATOM 1572 CA GLU B 207 35.391 40.248 26.311 1.00 0.00 C ATOM 1573 C GLU B 207 36.697 40.301 27.026 1.00 0.00 C ATOM 1574 O GLU B 207 37.642 40.964 26.602 1.00 0.00 O ATOM 1575 CB GLU B 207 34.280 41.200 26.785 1.00 0.00 C ATOM 1576 CG GLU B 207 34.072 41.512 28.268 1.00 0.00 C ATOM 1577 CD GLU B 207 32.860 42.421 28.406 1.00 0.00 C ATOM 1578 OE1 GLU B 207 31.716 41.955 28.157 1.00 0.00 O ATOM 1579 OE2 GLU B 207 33.033 43.631 28.712 1.00 0.00 O ATOM 0 H GLU B 207 34.257 38.613 26.853 1.00 0.00 H new ATOM 0 HA GLU B 207 35.644 40.661 25.334 1.00 0.00 H new ATOM 0 HB2 GLU B 207 34.443 42.153 26.281 1.00 0.00 H new ATOM 0 HB3 GLU B 207 33.338 40.799 26.411 1.00 0.00 H new ATOM 0 HG2 GLU B 207 33.920 40.591 28.831 1.00 0.00 H new ATOM 0 HG3 GLU B 207 34.957 41.996 28.681 1.00 0.00 H new ATOM 1586 N ALA B 208 36.833 39.516 28.110 1.00 0.00 N ATOM 1587 CA ALA B 208 38.015 39.336 28.893 1.00 0.00 C ATOM 1588 C ALA B 208 39.195 38.827 28.139 1.00 0.00 C ATOM 1589 O ALA B 208 40.316 39.290 28.341 1.00 0.00 O ATOM 1590 CB ALA B 208 37.703 38.395 30.069 1.00 0.00 C ATOM 0 H ALA B 208 36.052 38.964 28.465 1.00 0.00 H new ATOM 0 HA ALA B 208 38.301 40.329 29.240 1.00 0.00 H new ATOM 0 HB1 ALA B 208 38.601 38.254 30.670 1.00 0.00 H new ATOM 0 HB2 ALA B 208 36.918 38.832 30.686 1.00 0.00 H new ATOM 0 HB3 ALA B 208 37.368 37.431 29.685 1.00 0.00 H new ATOM 1596 N ALA B 209 38.997 37.883 27.202 1.00 0.00 N ATOM 1597 CA ALA B 209 40.007 37.401 26.312 1.00 0.00 C ATOM 1598 C ALA B 209 40.597 38.461 25.447 1.00 0.00 C ATOM 1599 O ALA B 209 41.815 38.622 25.383 1.00 0.00 O ATOM 1600 CB ALA B 209 39.429 36.274 25.439 1.00 0.00 C ATOM 0 H ALA B 209 38.092 37.436 27.058 1.00 0.00 H new ATOM 0 HA ALA B 209 40.820 37.027 26.935 1.00 0.00 H new ATOM 0 HB1 ALA B 209 40.200 35.907 24.761 1.00 0.00 H new ATOM 0 HB2 ALA B 209 39.089 35.458 26.077 1.00 0.00 H new ATOM 0 HB3 ALA B 209 38.589 36.657 24.860 1.00 0.00 H new ATOM 1606 N ASP B 210 39.740 39.256 24.781 1.00 0.00 N ATOM 1607 CA ASP B 210 40.106 40.293 23.867 1.00 0.00 C ATOM 1608 C ASP B 210 40.748 41.454 24.545 1.00 0.00 C ATOM 1609 O ASP B 210 41.684 42.066 24.032 1.00 0.00 O ATOM 1610 CB ASP B 210 38.819 40.669 23.114 1.00 0.00 C ATOM 1611 CG ASP B 210 39.085 41.033 21.660 1.00 0.00 C ATOM 1612 OD1 ASP B 210 39.533 40.149 20.881 1.00 0.00 O ATOM 1613 OD2 ASP B 210 38.784 42.191 21.268 1.00 0.00 O ATOM 0 H ASP B 210 38.729 39.168 24.888 1.00 0.00 H new ATOM 0 HA ASP B 210 40.870 39.949 23.170 1.00 0.00 H new ATOM 0 HB2 ASP B 210 38.120 39.834 23.155 1.00 0.00 H new ATOM 0 HB3 ASP B 210 38.340 41.510 23.615 1.00 0.00 H new ATOM 1618 N TYR B 211 40.304 41.788 25.770 1.00 0.00 N ATOM 1619 CA TYR B 211 40.910 42.697 26.693 1.00 0.00 C ATOM 1620 C TYR B 211 42.311 42.327 27.041 1.00 0.00 C ATOM 1621 O TYR B 211 43.211 43.165 27.023 1.00 0.00 O ATOM 1622 CB TYR B 211 39.986 42.781 27.920 1.00 0.00 C ATOM 1623 CG TYR B 211 40.523 43.420 29.155 1.00 0.00 C ATOM 1624 CD1 TYR B 211 41.178 42.642 30.079 1.00 0.00 C ATOM 1625 CD2 TYR B 211 40.300 44.748 29.436 1.00 0.00 C ATOM 1626 CE1 TYR B 211 41.590 43.175 31.278 1.00 0.00 C ATOM 1627 CE2 TYR B 211 40.699 45.285 30.637 1.00 0.00 C ATOM 1628 CZ TYR B 211 41.332 44.495 31.567 1.00 0.00 C ATOM 1629 OH TYR B 211 41.666 44.982 32.849 1.00 0.00 O ATOM 0 H TYR B 211 39.445 41.385 26.146 1.00 0.00 H new ATOM 0 HA TYR B 211 41.010 43.681 26.235 1.00 0.00 H new ATOM 0 HB2 TYR B 211 39.088 43.324 27.626 1.00 0.00 H new ATOM 0 HB3 TYR B 211 39.676 41.768 28.175 1.00 0.00 H new ATOM 0 HD1 TYR B 211 41.371 41.602 29.862 1.00 0.00 H new ATOM 0 HD2 TYR B 211 39.807 45.374 28.707 1.00 0.00 H new ATOM 0 HE1 TYR B 211 42.115 42.558 31.992 1.00 0.00 H new ATOM 0 HE2 TYR B 211 40.515 46.328 30.850 1.00 0.00 H new ATOM 0 HH TYR B 211 41.428 45.931 32.911 1.00 0.00 H new ATOM 1639 N LEU B 212 42.574 41.047 27.361 1.00 0.00 N ATOM 1640 CA LEU B 212 43.863 40.575 27.763 1.00 0.00 C ATOM 1641 C LEU B 212 44.885 40.567 26.679 1.00 0.00 C ATOM 1642 O LEU B 212 46.077 40.722 26.944 1.00 0.00 O ATOM 1643 CB LEU B 212 43.766 39.195 28.433 1.00 0.00 C ATOM 1644 CG LEU B 212 43.832 39.254 29.968 1.00 0.00 C ATOM 1645 CD1 LEU B 212 43.385 37.906 30.557 1.00 0.00 C ATOM 1646 CD2 LEU B 212 45.221 39.631 30.513 1.00 0.00 C ATOM 0 H LEU B 212 41.864 40.315 27.339 1.00 0.00 H new ATOM 0 HA LEU B 212 44.217 41.304 28.492 1.00 0.00 H new ATOM 0 HB2 LEU B 212 42.831 38.720 28.135 1.00 0.00 H new ATOM 0 HB3 LEU B 212 44.575 38.564 28.066 1.00 0.00 H new ATOM 0 HG LEU B 212 43.156 40.051 30.278 1.00 0.00 H new ATOM 0 HD11 LEU B 212 43.433 37.951 31.645 1.00 0.00 H new ATOM 0 HD12 LEU B 212 42.362 37.695 30.247 1.00 0.00 H new ATOM 0 HD13 LEU B 212 44.043 37.115 30.197 1.00 0.00 H new ATOM 0 HD21 LEU B 212 45.191 39.653 31.602 1.00 0.00 H new ATOM 0 HD22 LEU B 212 45.953 38.893 30.185 1.00 0.00 H new ATOM 0 HD23 LEU B 212 45.504 40.615 30.138 1.00 0.00 H new ATOM 1658 N GLU B 213 44.485 40.450 25.400 1.00 0.00 N ATOM 1659 CA GLU B 213 45.349 40.613 24.273 1.00 0.00 C ATOM 1660 C GLU B 213 46.023 41.939 24.201 1.00 0.00 C ATOM 1661 O GLU B 213 47.175 42.049 23.783 1.00 0.00 O ATOM 1662 CB GLU B 213 44.654 40.319 22.932 1.00 0.00 C ATOM 1663 CG GLU B 213 44.192 38.869 22.770 1.00 0.00 C ATOM 1664 CD GLU B 213 44.056 38.462 21.309 1.00 0.00 C ATOM 1665 OE1 GLU B 213 45.106 38.397 20.616 1.00 0.00 O ATOM 1666 OE2 GLU B 213 42.921 38.208 20.826 1.00 0.00 O ATOM 0 H GLU B 213 43.522 40.233 25.141 1.00 0.00 H new ATOM 0 HA GLU B 213 46.122 39.863 24.441 1.00 0.00 H new ATOM 0 HB2 GLU B 213 43.791 40.977 22.831 1.00 0.00 H new ATOM 0 HB3 GLU B 213 45.338 40.564 22.120 1.00 0.00 H new ATOM 0 HG2 GLU B 213 44.903 38.207 23.264 1.00 0.00 H new ATOM 0 HG3 GLU B 213 43.233 38.738 23.271 1.00 0.00 H new ATOM 1673 N ARG B 214 45.361 43.019 24.654 1.00 0.00 N ATOM 1674 CA ARG B 214 45.940 44.323 24.747 1.00 0.00 C ATOM 1675 C ARG B 214 46.882 44.503 25.888 1.00 0.00 C ATOM 1676 O ARG B 214 47.770 45.350 25.833 1.00 0.00 O ATOM 1677 CB ARG B 214 44.850 45.408 24.787 1.00 0.00 C ATOM 1678 CG ARG B 214 44.374 45.811 23.390 1.00 0.00 C ATOM 1679 CD ARG B 214 43.416 47.004 23.401 1.00 0.00 C ATOM 1680 NE ARG B 214 43.359 47.512 22.001 1.00 0.00 N ATOM 1681 CZ ARG B 214 42.328 47.308 21.130 1.00 0.00 C ATOM 1682 NH1 ARG B 214 41.234 46.550 21.432 1.00 0.00 N ATOM 1683 NH2 ARG B 214 42.387 47.881 19.893 1.00 0.00 N ATOM 0 H ARG B 214 44.390 42.983 24.966 1.00 0.00 H new ATOM 0 HA ARG B 214 46.539 44.430 23.843 1.00 0.00 H new ATOM 0 HB2 ARG B 214 44.001 45.045 25.366 1.00 0.00 H new ATOM 0 HB3 ARG B 214 45.235 46.287 25.304 1.00 0.00 H new ATOM 0 HG2 ARG B 214 45.240 46.054 22.774 1.00 0.00 H new ATOM 0 HG3 ARG B 214 43.879 44.960 22.922 1.00 0.00 H new ATOM 0 HD2 ARG B 214 42.426 46.704 23.746 1.00 0.00 H new ATOM 0 HD3 ARG B 214 43.769 47.779 24.081 1.00 0.00 H new ATOM 0 HE ARG B 214 44.155 48.056 21.667 1.00 0.00 H new ATOM 0 HH11 ARG B 214 41.159 46.104 22.346 1.00 0.00 H new ATOM 0 HH12 ARG B 214 40.491 46.430 20.744 1.00 0.00 H new ATOM 0 HH21 ARG B 214 43.192 48.451 19.633 1.00 0.00 H new ATOM 0 HH22 ARG B 214 41.626 47.740 19.229 1.00 0.00 H new ATOM 1697 N ARG B 215 46.775 43.708 26.969 1.00 0.00 N ATOM 1698 CA ARG B 215 47.669 43.776 28.082 1.00 0.00 C ATOM 1699 C ARG B 215 49.020 43.223 27.784 1.00 0.00 C ATOM 1700 O ARG B 215 50.018 43.674 28.343 1.00 0.00 O ATOM 1701 CB ARG B 215 47.116 43.073 29.333 1.00 0.00 C ATOM 1702 CG ARG B 215 45.856 43.727 29.903 1.00 0.00 C ATOM 1703 CD ARG B 215 45.642 43.482 31.398 1.00 0.00 C ATOM 1704 NE ARG B 215 46.696 44.256 32.114 1.00 0.00 N ATOM 1705 CZ ARG B 215 47.487 43.765 33.112 1.00 0.00 C ATOM 1706 NH1 ARG B 215 47.271 42.549 33.692 1.00 0.00 N ATOM 1707 NH2 ARG B 215 48.526 44.503 33.602 1.00 0.00 N ATOM 0 H ARG B 215 46.048 43.000 27.071 1.00 0.00 H new ATOM 0 HA ARG B 215 47.764 44.843 28.283 1.00 0.00 H new ATOM 0 HB2 ARG B 215 46.895 42.034 29.087 1.00 0.00 H new ATOM 0 HB3 ARG B 215 47.888 43.061 30.103 1.00 0.00 H new ATOM 0 HG2 ARG B 215 45.906 44.801 29.726 1.00 0.00 H new ATOM 0 HG3 ARG B 215 44.989 43.355 29.358 1.00 0.00 H new ATOM 0 HD2 ARG B 215 44.648 43.807 31.705 1.00 0.00 H new ATOM 0 HD3 ARG B 215 45.717 42.420 31.631 1.00 0.00 H new ATOM 0 HE ARG B 215 46.837 45.227 31.837 1.00 0.00 H new ATOM 0 HH11 ARG B 215 46.493 41.967 33.382 1.00 0.00 H new ATOM 0 HH12 ARG B 215 47.888 42.222 34.435 1.00 0.00 H new ATOM 0 HH21 ARG B 215 48.717 45.430 33.222 1.00 0.00 H new ATOM 0 HH22 ARG B 215 49.111 44.127 34.348 1.00 0.00 H new