USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 348 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLN : amide:sc= -0.0294 X(o=-0.029,f=-0.53) USER MOD Single : A 1 GLN N :NH3+ 146:sc= 0.0399 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -142:sc= -0.237 (180deg=-1.01) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 23 TYR OH : rot -93:sc= 0.885 USER MOD Single : A 26 CYS SG : rot 79:sc= -3.16! USER MOD Single : A 28 LYS NZ :NH3+ -108:sc= -0.0491! (180deg=-0.442!) USER MOD Single : A 29 ASN : amide:sc= -0.938 K(o=-0.94,f=-0.13) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 35 ASN : amide:sc= -0.0524 K(o=-0.052,f=-1.4!) USER MOD Single : A 39 SER OG : rot -28:sc= 0.356 USER MOD Single : A 40 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 41 ASN : amide:sc= -0.533 X(o=-0.53,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 30.177 -7.222 -11.355 1.00 0.00 N ATOM 2 CA GLN A 1 31.067 -6.147 -10.928 1.00 0.00 C ATOM 3 C GLN A 1 30.727 -5.701 -9.487 1.00 0.00 C ATOM 4 O GLN A 1 29.729 -6.125 -8.914 1.00 0.00 O ATOM 5 CB GLN A 1 30.996 -4.939 -11.891 1.00 0.00 C ATOM 6 CG GLN A 1 32.191 -4.837 -12.859 1.00 0.00 C ATOM 7 CD GLN A 1 32.648 -3.378 -13.019 1.00 0.00 C ATOM 8 OE1 GLN A 1 33.058 -2.731 -12.058 1.00 0.00 O ATOM 9 NE2 GLN A 1 32.556 -2.895 -14.271 1.00 0.00 N ATOM 0 H1 GLN A 1 29.989 -7.133 -12.374 1.00 0.00 H new ATOM 0 H2 GLN A 1 30.626 -8.141 -11.164 1.00 0.00 H new ATOM 0 H3 GLN A 1 29.281 -7.159 -10.831 1.00 0.00 H new ATOM 0 HA GLN A 1 32.086 -6.534 -10.947 1.00 0.00 H new ATOM 0 HB2 GLN A 1 30.076 -5.004 -12.472 1.00 0.00 H new ATOM 0 HB3 GLN A 1 30.938 -4.022 -11.304 1.00 0.00 H new ATOM 0 HG2 GLN A 1 33.018 -5.442 -12.487 1.00 0.00 H new ATOM 0 HG3 GLN A 1 31.912 -5.243 -13.831 1.00 0.00 H new ATOM 0 HE21 GLN A 1 32.206 -3.489 -15.022 1.00 0.00 H new ATOM 0 HE22 GLN A 1 32.836 -1.934 -14.469 1.00 0.00 H new ATOM 20 N GLU A 2 31.613 -4.820 -8.959 1.00 0.00 N ATOM 21 CA GLU A 2 31.455 -4.261 -7.611 1.00 0.00 C ATOM 22 C GLU A 2 31.344 -2.725 -7.631 1.00 0.00 C ATOM 23 O GLU A 2 31.228 -2.111 -6.581 1.00 0.00 O ATOM 24 CB GLU A 2 32.588 -4.748 -6.688 1.00 0.00 C ATOM 25 CG GLU A 2 33.906 -3.945 -6.776 1.00 0.00 C ATOM 26 CD GLU A 2 34.115 -2.895 -5.658 1.00 0.00 C ATOM 27 OE1 GLU A 2 33.190 -2.583 -4.912 1.00 0.00 O ATOM 28 OE2 GLU A 2 35.236 -2.402 -5.536 1.00 0.00 O ATOM 0 H GLU A 2 32.441 -4.487 -9.453 1.00 0.00 H new ATOM 0 HA GLU A 2 30.512 -4.628 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 2 32.233 -4.719 -5.658 1.00 0.00 H new ATOM 0 HB3 GLU A 2 32.801 -5.791 -6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 2 34.741 -4.645 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 2 33.940 -3.437 -7.740 1.00 0.00 H new ATOM 35 N LYS A 3 31.367 -2.142 -8.857 1.00 0.00 N ATOM 36 CA LYS A 3 31.308 -0.684 -9.039 1.00 0.00 C ATOM 37 C LYS A 3 30.137 0.008 -8.297 1.00 0.00 C ATOM 38 O LYS A 3 30.179 1.202 -8.018 1.00 0.00 O ATOM 39 CB LYS A 3 31.308 -0.317 -10.524 1.00 0.00 C ATOM 40 CG LYS A 3 30.173 -0.993 -11.308 1.00 0.00 C ATOM 41 CD LYS A 3 29.802 -0.286 -12.616 1.00 0.00 C ATOM 42 CE LYS A 3 29.406 1.180 -12.400 1.00 0.00 C ATOM 43 NZ LYS A 3 30.519 2.082 -12.681 1.00 0.00 N ATOM 0 H LYS A 3 31.426 -2.667 -9.729 1.00 0.00 H new ATOM 0 HA LYS A 3 32.214 -0.298 -8.573 1.00 0.00 H new ATOM 0 HB2 LYS A 3 31.219 0.765 -10.626 1.00 0.00 H new ATOM 0 HB3 LYS A 3 32.265 -0.600 -10.963 1.00 0.00 H new ATOM 0 HG2 LYS A 3 30.464 -2.019 -11.533 1.00 0.00 H new ATOM 0 HG3 LYS A 3 29.289 -1.044 -10.673 1.00 0.00 H new ATOM 0 HD2 LYS A 3 30.647 -0.333 -13.303 1.00 0.00 H new ATOM 0 HD3 LYS A 3 28.976 -0.816 -13.090 1.00 0.00 H new ATOM 0 HE2 LYS A 3 28.563 1.429 -13.045 1.00 0.00 H new ATOM 0 HE3 LYS A 3 29.073 1.320 -11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 30.513 2.865 -11.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 31.416 1.561 -12.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 30.422 2.464 -13.644 1.00 0.00 H new ATOM 57 N GLU A 4 29.119 -0.816 -7.988 1.00 0.00 N ATOM 58 CA GLU A 4 27.947 -0.364 -7.252 1.00 0.00 C ATOM 59 C GLU A 4 28.307 0.044 -5.817 1.00 0.00 C ATOM 60 O GLU A 4 27.924 1.099 -5.320 1.00 0.00 O ATOM 61 CB GLU A 4 26.929 -1.515 -7.197 1.00 0.00 C ATOM 62 CG GLU A 4 25.503 -0.995 -7.380 1.00 0.00 C ATOM 63 CD GLU A 4 24.468 -2.001 -6.847 1.00 0.00 C ATOM 64 OE1 GLU A 4 24.149 -2.955 -7.558 1.00 0.00 O ATOM 65 OE2 GLU A 4 23.993 -1.820 -5.727 1.00 0.00 O ATOM 0 H GLU A 4 29.095 -1.803 -8.243 1.00 0.00 H new ATOM 0 HA GLU A 4 27.533 0.506 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 4 27.157 -2.244 -7.975 1.00 0.00 H new ATOM 0 HB3 GLU A 4 27.011 -2.033 -6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 4 25.391 -0.044 -6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 4 25.316 -0.803 -8.437 1.00 0.00 H new ATOM 72 N ALA A 5 29.074 -0.872 -5.195 1.00 0.00 N ATOM 73 CA ALA A 5 29.554 -0.595 -3.857 1.00 0.00 C ATOM 74 C ALA A 5 30.649 0.465 -3.881 1.00 0.00 C ATOM 75 O ALA A 5 30.938 1.041 -2.850 1.00 0.00 O ATOM 76 CB ALA A 5 30.084 -1.859 -3.186 1.00 0.00 C ATOM 0 H ALA A 5 29.357 -1.769 -5.589 1.00 0.00 H new ATOM 0 HA ALA A 5 28.708 -0.221 -3.281 1.00 0.00 H new ATOM 0 HB1 ALA A 5 30.437 -1.618 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 5 29.286 -2.599 -3.122 1.00 0.00 H new ATOM 0 HB3 ALA A 5 30.908 -2.264 -3.773 1.00 0.00 H new ATOM 82 N ILE A 6 31.245 0.712 -5.072 1.00 0.00 N ATOM 83 CA ILE A 6 32.361 1.653 -5.103 1.00 0.00 C ATOM 84 C ILE A 6 31.915 3.061 -4.723 1.00 0.00 C ATOM 85 O ILE A 6 32.543 3.683 -3.890 1.00 0.00 O ATOM 86 CB ILE A 6 33.193 1.608 -6.390 1.00 0.00 C ATOM 87 CG1 ILE A 6 33.743 0.195 -6.591 1.00 0.00 C ATOM 88 CG2 ILE A 6 34.365 2.607 -6.342 1.00 0.00 C ATOM 89 CD1 ILE A 6 34.594 0.026 -7.855 1.00 0.00 C ATOM 0 H ILE A 6 30.984 0.296 -5.966 1.00 0.00 H new ATOM 0 HA ILE A 6 33.056 1.316 -4.334 1.00 0.00 H new ATOM 0 HB ILE A 6 32.544 1.885 -7.221 1.00 0.00 H new ATOM 0 HG12 ILE A 6 34.344 -0.076 -5.723 1.00 0.00 H new ATOM 0 HG13 ILE A 6 32.909 -0.505 -6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 6 34.932 2.547 -7.271 1.00 0.00 H new ATOM 0 HG22 ILE A 6 33.977 3.618 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 6 35.016 2.364 -5.503 1.00 0.00 H new ATOM 0 HD11 ILE A 6 34.945 -1.004 -7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 6 33.993 0.263 -8.733 1.00 0.00 H new ATOM 0 HD13 ILE A 6 35.450 0.699 -7.810 1.00 0.00 H new ATOM 101 N GLU A 7 30.797 3.500 -5.339 1.00 0.00 N ATOM 102 CA GLU A 7 30.278 4.830 -5.016 1.00 0.00 C ATOM 103 C GLU A 7 29.742 4.920 -3.573 1.00 0.00 C ATOM 104 O GLU A 7 29.576 6.004 -3.027 1.00 0.00 O ATOM 105 CB GLU A 7 29.182 5.211 -6.019 1.00 0.00 C ATOM 106 CG GLU A 7 27.923 4.332 -5.936 1.00 0.00 C ATOM 107 CD GLU A 7 26.772 4.956 -6.745 1.00 0.00 C ATOM 108 OE1 GLU A 7 26.130 5.877 -6.237 1.00 0.00 O ATOM 109 OE2 GLU A 7 26.527 4.520 -7.869 1.00 0.00 O ATOM 0 H GLU A 7 30.262 2.975 -6.031 1.00 0.00 H new ATOM 0 HA GLU A 7 31.107 5.535 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 7 28.898 6.250 -5.854 1.00 0.00 H new ATOM 0 HB3 GLU A 7 29.590 5.149 -7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 7 28.143 3.335 -6.317 1.00 0.00 H new ATOM 0 HG3 GLU A 7 27.622 4.216 -4.895 1.00 0.00 H new ATOM 116 N ARG A 8 29.476 3.724 -3.011 1.00 0.00 N ATOM 117 CA ARG A 8 28.881 3.603 -1.691 1.00 0.00 C ATOM 118 C ARG A 8 29.946 3.802 -0.615 1.00 0.00 C ATOM 119 O ARG A 8 29.804 4.646 0.255 1.00 0.00 O ATOM 120 CB ARG A 8 28.222 2.219 -1.597 1.00 0.00 C ATOM 121 CG ARG A 8 26.843 2.256 -0.934 1.00 0.00 C ATOM 122 CD ARG A 8 26.027 1.004 -1.273 1.00 0.00 C ATOM 123 NE ARG A 8 25.155 0.622 -0.170 1.00 0.00 N ATOM 124 CZ ARG A 8 23.996 1.252 0.128 1.00 0.00 C ATOM 125 NH1 ARG A 8 23.570 2.297 -0.578 1.00 0.00 N ATOM 126 NH2 ARG A 8 23.273 0.810 1.152 1.00 0.00 N ATOM 0 H ARG A 8 29.670 2.831 -3.464 1.00 0.00 H new ATOM 0 HA ARG A 8 28.124 4.371 -1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 8 28.126 1.800 -2.599 1.00 0.00 H new ATOM 0 HB3 ARG A 8 28.872 1.551 -1.033 1.00 0.00 H new ATOM 0 HG2 ARG A 8 26.959 2.335 0.147 1.00 0.00 H new ATOM 0 HG3 ARG A 8 26.303 3.144 -1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 8 25.428 1.189 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 8 26.702 0.181 -1.507 1.00 0.00 H new ATOM 0 HE ARG A 8 25.435 -0.167 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 8 24.122 2.640 -1.364 1.00 0.00 H new ATOM 0 HH12 ARG A 8 22.692 2.755 -0.333 1.00 0.00 H new ATOM 0 HH21 ARG A 8 23.595 0.010 1.696 1.00 0.00 H new ATOM 0 HH22 ARG A 8 22.396 1.271 1.394 1.00 0.00 H new ATOM 140 N LEU A 9 31.014 2.989 -0.777 1.00 0.00 N ATOM 141 CA LEU A 9 32.256 3.005 -0.019 1.00 0.00 C ATOM 142 C LEU A 9 32.855 4.438 -0.058 1.00 0.00 C ATOM 143 O LEU A 9 33.252 4.995 0.946 1.00 0.00 O ATOM 144 CB LEU A 9 33.195 1.952 -0.616 1.00 0.00 C ATOM 145 CG LEU A 9 32.633 0.514 -0.606 1.00 0.00 C ATOM 146 CD1 LEU A 9 33.220 -0.267 -1.777 1.00 0.00 C ATOM 147 CD2 LEU A 9 32.889 -0.245 0.686 1.00 0.00 C ATOM 0 H LEU A 9 31.017 2.261 -1.492 1.00 0.00 H new ATOM 0 HA LEU A 9 32.094 2.754 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 9 33.427 2.231 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 9 34.134 1.965 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 9 31.551 0.608 -0.695 1.00 0.00 H new ATOM 0 HD11 LEU A 9 32.824 -1.283 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 9 32.950 0.223 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 9 34.306 -0.300 -1.685 1.00 0.00 H new ATOM 0 HD21 LEU A 9 32.463 -1.245 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 9 33.963 -0.320 0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 9 32.425 0.285 1.518 1.00 0.00 H new ATOM 159 N LYS A 10 32.829 5.016 -1.277 1.00 0.00 N ATOM 160 CA LYS A 10 33.289 6.396 -1.481 1.00 0.00 C ATOM 161 C LYS A 10 32.370 7.428 -0.791 1.00 0.00 C ATOM 162 O LYS A 10 32.828 8.459 -0.311 1.00 0.00 O ATOM 163 CB LYS A 10 33.320 6.691 -2.997 1.00 0.00 C ATOM 164 CG LYS A 10 34.694 7.102 -3.509 1.00 0.00 C ATOM 165 CD LYS A 10 34.854 8.625 -3.571 1.00 0.00 C ATOM 166 CE LYS A 10 35.680 9.042 -4.787 1.00 0.00 C ATOM 167 NZ LYS A 10 35.747 10.488 -4.926 1.00 0.00 N ATOM 0 H LYS A 10 32.498 4.551 -2.122 1.00 0.00 H new ATOM 0 HA LYS A 10 34.281 6.486 -1.039 1.00 0.00 H new ATOM 0 HB2 LYS A 10 32.990 5.804 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 10 32.606 7.484 -3.219 1.00 0.00 H new ATOM 0 HG2 LYS A 10 35.463 6.683 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 10 34.851 6.681 -4.502 1.00 0.00 H new ATOM 0 HD2 LYS A 10 33.872 9.095 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 10 35.336 8.981 -2.660 1.00 0.00 H new ATOM 0 HE2 LYS A 10 36.689 8.639 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 10 35.244 8.610 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 36.316 10.730 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 34.787 10.871 -5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 36.187 10.898 -4.077 1.00 0.00 H new ATOM 181 N ALA A 11 31.058 7.098 -0.781 1.00 0.00 N ATOM 182 CA ALA A 11 30.049 7.985 -0.195 1.00 0.00 C ATOM 183 C ALA A 11 30.178 8.109 1.338 1.00 0.00 C ATOM 184 O ALA A 11 29.668 9.055 1.927 1.00 0.00 O ATOM 185 CB ALA A 11 28.640 7.514 -0.569 1.00 0.00 C ATOM 0 H ALA A 11 30.685 6.232 -1.170 1.00 0.00 H new ATOM 0 HA ALA A 11 30.225 8.977 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 11 27.903 8.184 -0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 11 28.530 7.520 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 11 28.483 6.503 -0.194 1.00 0.00 H new ATOM 191 N LEU A 12 30.902 7.138 1.943 1.00 0.00 N ATOM 192 CA LEU A 12 31.193 7.209 3.373 1.00 0.00 C ATOM 193 C LEU A 12 32.332 8.227 3.684 1.00 0.00 C ATOM 194 O LEU A 12 32.743 8.353 4.832 1.00 0.00 O ATOM 195 CB LEU A 12 31.593 5.814 3.888 1.00 0.00 C ATOM 196 CG LEU A 12 30.481 4.738 3.953 1.00 0.00 C ATOM 197 CD1 LEU A 12 30.611 3.753 2.798 1.00 0.00 C ATOM 198 CD2 LEU A 12 30.554 3.926 5.246 1.00 0.00 C ATOM 0 H LEU A 12 31.282 6.320 1.467 1.00 0.00 H new ATOM 0 HA LEU A 12 30.291 7.553 3.880 1.00 0.00 H new ATOM 0 HB2 LEU A 12 32.393 5.435 3.251 1.00 0.00 H new ATOM 0 HB3 LEU A 12 32.010 5.930 4.888 1.00 0.00 H new ATOM 0 HG LEU A 12 29.534 5.275 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 12 29.819 3.007 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 12 30.526 4.288 1.852 1.00 0.00 H new ATOM 0 HD13 LEU A 12 31.581 3.258 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 12 29.758 3.182 5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 12 31.520 3.424 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 12 30.437 4.592 6.101 1.00 0.00 H new ATOM 210 N GLY A 13 32.805 8.938 2.629 1.00 0.00 N ATOM 211 CA GLY A 13 33.818 9.987 2.779 1.00 0.00 C ATOM 212 C GLY A 13 35.231 9.510 2.413 1.00 0.00 C ATOM 213 O GLY A 13 36.217 10.045 2.914 1.00 0.00 O ATOM 0 H GLY A 13 32.494 8.795 1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 13 33.552 10.835 2.148 1.00 0.00 H new ATOM 0 HA3 GLY A 13 33.816 10.343 3.809 1.00 0.00 H new ATOM 217 N PHE A 14 35.274 8.470 1.547 1.00 0.00 N ATOM 218 CA PHE A 14 36.528 7.777 1.234 1.00 0.00 C ATOM 219 C PHE A 14 36.945 8.123 -0.209 1.00 0.00 C ATOM 220 O PHE A 14 36.805 9.266 -0.625 1.00 0.00 O ATOM 221 CB PHE A 14 36.323 6.263 1.471 1.00 0.00 C ATOM 222 CG PHE A 14 35.805 5.925 2.849 1.00 0.00 C ATOM 223 CD1 PHE A 14 35.996 6.772 3.939 1.00 0.00 C ATOM 224 CD2 PHE A 14 35.078 4.756 3.037 1.00 0.00 C ATOM 225 CE1 PHE A 14 35.393 6.512 5.155 1.00 0.00 C ATOM 226 CE2 PHE A 14 34.466 4.492 4.252 1.00 0.00 C ATOM 227 CZ PHE A 14 34.609 5.389 5.304 1.00 0.00 C ATOM 0 H PHE A 14 34.457 8.101 1.060 1.00 0.00 H new ATOM 0 HA PHE A 14 37.344 8.098 1.882 1.00 0.00 H new ATOM 0 HB2 PHE A 14 35.625 5.880 0.727 1.00 0.00 H new ATOM 0 HB3 PHE A 14 37.271 5.749 1.313 1.00 0.00 H new ATOM 0 HD1 PHE A 14 36.624 7.644 3.832 1.00 0.00 H new ATOM 0 HD2 PHE A 14 34.989 4.046 2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 14 35.536 7.187 5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 14 33.881 3.594 4.381 1.00 0.00 H new ATOM 0 HZ PHE A 14 34.104 5.205 6.241 1.00 0.00 H new ATOM 237 N GLU A 15 37.471 7.105 -0.937 1.00 0.00 N ATOM 238 CA GLU A 15 37.974 7.313 -2.293 1.00 0.00 C ATOM 239 C GLU A 15 38.060 5.960 -2.998 1.00 0.00 C ATOM 240 O GLU A 15 38.513 4.988 -2.415 1.00 0.00 O ATOM 241 CB GLU A 15 39.334 8.038 -2.290 1.00 0.00 C ATOM 242 CG GLU A 15 39.598 8.813 -3.589 1.00 0.00 C ATOM 243 CD GLU A 15 40.719 9.871 -3.486 1.00 0.00 C ATOM 244 OE1 GLU A 15 41.159 10.195 -2.383 1.00 0.00 O ATOM 245 OE2 GLU A 15 41.136 10.373 -4.531 1.00 0.00 O ATOM 0 H GLU A 15 37.552 6.146 -0.600 1.00 0.00 H new ATOM 0 HA GLU A 15 37.285 7.959 -2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 15 39.371 8.728 -1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 15 40.129 7.308 -2.140 1.00 0.00 H new ATOM 0 HG2 GLU A 15 39.857 8.103 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 15 38.676 9.307 -3.896 1.00 0.00 H new ATOM 252 N GLU A 16 37.591 5.972 -4.270 1.00 0.00 N ATOM 253 CA GLU A 16 37.442 4.801 -5.140 1.00 0.00 C ATOM 254 C GLU A 16 38.701 3.881 -5.184 1.00 0.00 C ATOM 255 O GLU A 16 38.608 2.714 -5.544 1.00 0.00 O ATOM 256 CB GLU A 16 37.009 5.277 -6.535 1.00 0.00 C ATOM 257 CG GLU A 16 37.107 4.201 -7.639 1.00 0.00 C ATOM 258 CD GLU A 16 36.232 4.490 -8.881 1.00 0.00 C ATOM 259 OE1 GLU A 16 35.202 5.152 -8.758 1.00 0.00 O ATOM 260 OE2 GLU A 16 36.592 4.036 -9.969 1.00 0.00 O ATOM 0 H GLU A 16 37.298 6.836 -4.726 1.00 0.00 H new ATOM 0 HA GLU A 16 36.668 4.161 -4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 16 35.979 5.631 -6.481 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.625 6.130 -6.821 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.147 4.112 -7.953 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.817 3.238 -7.219 1.00 0.00 H new ATOM 267 N SER A 17 39.857 4.445 -4.781 1.00 0.00 N ATOM 268 CA SER A 17 41.087 3.671 -4.679 1.00 0.00 C ATOM 269 C SER A 17 41.148 2.863 -3.364 1.00 0.00 C ATOM 270 O SER A 17 41.337 1.653 -3.396 1.00 0.00 O ATOM 271 CB SER A 17 42.266 4.646 -4.762 1.00 0.00 C ATOM 272 OG SER A 17 42.662 4.841 -6.112 1.00 0.00 O ATOM 0 H SER A 17 39.954 5.428 -4.525 1.00 0.00 H new ATOM 0 HA SER A 17 41.127 2.948 -5.494 1.00 0.00 H new ATOM 0 HB2 SER A 17 41.986 5.601 -4.318 1.00 0.00 H new ATOM 0 HB3 SER A 17 43.105 4.260 -4.184 1.00 0.00 H new ATOM 0 HG SER A 17 43.415 5.468 -6.145 1.00 0.00 H new ATOM 278 N LEU A 18 40.984 3.571 -2.216 1.00 0.00 N ATOM 279 CA LEU A 18 40.989 2.859 -0.925 1.00 0.00 C ATOM 280 C LEU A 18 39.793 1.906 -0.809 1.00 0.00 C ATOM 281 O LEU A 18 39.824 0.938 -0.053 1.00 0.00 O ATOM 282 CB LEU A 18 41.118 3.816 0.279 1.00 0.00 C ATOM 283 CG LEU A 18 39.850 4.525 0.808 1.00 0.00 C ATOM 284 CD1 LEU A 18 39.622 4.262 2.304 1.00 0.00 C ATOM 285 CD2 LEU A 18 39.946 6.034 0.595 1.00 0.00 C ATOM 0 H LEU A 18 40.854 4.581 -2.161 1.00 0.00 H new ATOM 0 HA LEU A 18 41.887 2.241 -0.899 1.00 0.00 H new ATOM 0 HB2 LEU A 18 41.548 3.250 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 18 41.840 4.588 0.011 1.00 0.00 H new ATOM 0 HG LEU A 18 39.011 4.116 0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 18 38.720 4.780 2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 18 39.507 3.191 2.472 1.00 0.00 H new ATOM 0 HD13 LEU A 18 40.477 4.628 2.872 1.00 0.00 H new ATOM 0 HD21 LEU A 18 39.043 6.513 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 18 40.814 6.422 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 18 40.049 6.245 -0.469 1.00 0.00 H new ATOM 297 N VAL A 19 38.779 2.234 -1.618 1.00 0.00 N ATOM 298 CA VAL A 19 37.516 1.535 -1.769 1.00 0.00 C ATOM 299 C VAL A 19 37.724 0.189 -2.462 1.00 0.00 C ATOM 300 O VAL A 19 37.359 -0.847 -1.936 1.00 0.00 O ATOM 301 CB VAL A 19 36.621 2.450 -2.607 1.00 0.00 C ATOM 302 CG1 VAL A 19 35.535 1.710 -3.382 1.00 0.00 C ATOM 303 CG2 VAL A 19 36.045 3.636 -1.818 1.00 0.00 C ATOM 0 H VAL A 19 38.832 3.054 -2.223 1.00 0.00 H new ATOM 0 HA VAL A 19 37.062 1.321 -0.802 1.00 0.00 H new ATOM 0 HB VAL A 19 37.297 2.869 -3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 19 34.942 2.426 -3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 19 35.997 0.997 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 19 34.889 1.178 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 19 35.421 4.241 -2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 19 35.444 3.264 -0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 19 36.861 4.245 -1.430 1.00 0.00 H new ATOM 313 N ILE A 20 38.304 0.286 -3.680 1.00 0.00 N ATOM 314 CA ILE A 20 38.567 -0.910 -4.470 1.00 0.00 C ATOM 315 C ILE A 20 39.434 -1.883 -3.685 1.00 0.00 C ATOM 316 O ILE A 20 39.089 -3.043 -3.559 1.00 0.00 O ATOM 317 CB ILE A 20 39.182 -0.522 -5.831 1.00 0.00 C ATOM 318 CG1 ILE A 20 38.043 -0.157 -6.795 1.00 0.00 C ATOM 319 CG2 ILE A 20 40.093 -1.596 -6.450 1.00 0.00 C ATOM 320 CD1 ILE A 20 38.511 0.156 -8.212 1.00 0.00 C ATOM 0 H ILE A 20 38.588 1.162 -4.118 1.00 0.00 H new ATOM 0 HA ILE A 20 37.629 -1.425 -4.680 1.00 0.00 H new ATOM 0 HB ILE A 20 39.838 0.330 -5.654 1.00 0.00 H new ATOM 0 HG12 ILE A 20 37.332 -0.982 -6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 20 37.508 0.707 -6.400 1.00 0.00 H new ATOM 0 HG21 ILE A 20 40.481 -1.238 -7.404 1.00 0.00 H new ATOM 0 HG22 ILE A 20 40.924 -1.802 -5.775 1.00 0.00 H new ATOM 0 HG23 ILE A 20 39.521 -2.510 -6.611 1.00 0.00 H new ATOM 0 HD11 ILE A 20 37.650 0.404 -8.833 1.00 0.00 H new ATOM 0 HD12 ILE A 20 39.198 1.002 -8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 20 39.019 -0.714 -8.628 1.00 0.00 H new ATOM 332 N GLN A 21 40.546 -1.341 -3.158 1.00 0.00 N ATOM 333 CA GLN A 21 41.473 -2.169 -2.398 1.00 0.00 C ATOM 334 C GLN A 21 40.854 -2.666 -1.065 1.00 0.00 C ATOM 335 O GLN A 21 41.294 -3.664 -0.510 1.00 0.00 O ATOM 336 CB GLN A 21 42.750 -1.358 -2.137 1.00 0.00 C ATOM 337 CG GLN A 21 43.984 -2.256 -1.939 1.00 0.00 C ATOM 338 CD GLN A 21 44.822 -1.781 -0.751 1.00 0.00 C ATOM 339 OE1 GLN A 21 45.376 -0.683 -0.745 1.00 0.00 O ATOM 340 NE2 GLN A 21 44.856 -2.664 0.262 1.00 0.00 N ATOM 0 H GLN A 21 40.812 -0.360 -3.245 1.00 0.00 H new ATOM 0 HA GLN A 21 41.706 -3.060 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 21 42.926 -0.683 -2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 21 42.609 -0.738 -1.252 1.00 0.00 H new ATOM 0 HG2 GLN A 21 43.666 -3.286 -1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 21 44.592 -2.249 -2.844 1.00 0.00 H new ATOM 0 HE21 GLN A 21 44.368 -3.556 0.178 1.00 0.00 H new ATOM 0 HE22 GLN A 21 45.369 -2.442 1.115 1.00 0.00 H new ATOM 349 N ALA A 22 39.815 -1.933 -0.602 1.00 0.00 N ATOM 350 CA ALA A 22 39.061 -2.315 0.593 1.00 0.00 C ATOM 351 C ALA A 22 37.892 -3.262 0.295 1.00 0.00 C ATOM 352 O ALA A 22 37.275 -3.760 1.223 1.00 0.00 O ATOM 353 CB ALA A 22 38.417 -1.091 1.243 1.00 0.00 C ATOM 0 H ALA A 22 39.487 -1.075 -1.045 1.00 0.00 H new ATOM 0 HA ALA A 22 39.794 -2.803 1.235 1.00 0.00 H new ATOM 0 HB1 ALA A 22 37.862 -1.399 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 22 39.193 -0.381 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 22 37.736 -0.619 0.535 1.00 0.00 H new ATOM 359 N TYR A 23 37.604 -3.451 -1.009 1.00 0.00 N ATOM 360 CA TYR A 23 36.509 -4.320 -1.453 1.00 0.00 C ATOM 361 C TYR A 23 37.056 -5.483 -2.283 1.00 0.00 C ATOM 362 O TYR A 23 36.303 -6.326 -2.726 1.00 0.00 O ATOM 363 CB TYR A 23 35.536 -3.514 -2.331 1.00 0.00 C ATOM 364 CG TYR A 23 34.081 -3.880 -2.133 1.00 0.00 C ATOM 365 CD1 TYR A 23 33.353 -3.236 -1.154 1.00 0.00 C ATOM 366 CD2 TYR A 23 33.437 -4.818 -2.925 1.00 0.00 C ATOM 367 CE1 TYR A 23 32.006 -3.493 -0.957 1.00 0.00 C ATOM 368 CE2 TYR A 23 32.086 -5.094 -2.748 1.00 0.00 C ATOM 369 CZ TYR A 23 31.366 -4.415 -1.766 1.00 0.00 C ATOM 370 OH TYR A 23 30.021 -4.640 -1.575 1.00 0.00 O ATOM 0 H TYR A 23 38.120 -3.010 -1.770 1.00 0.00 H new ATOM 0 HA TYR A 23 35.996 -4.707 -0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 23 35.665 -2.453 -2.119 1.00 0.00 H new ATOM 0 HB3 TYR A 23 35.798 -3.664 -3.378 1.00 0.00 H new ATOM 0 HD1 TYR A 23 33.847 -2.511 -0.524 1.00 0.00 H new ATOM 0 HD2 TYR A 23 33.992 -5.341 -3.690 1.00 0.00 H new ATOM 0 HE1 TYR A 23 31.461 -2.979 -0.179 1.00 0.00 H new ATOM 0 HE2 TYR A 23 31.597 -5.831 -3.368 1.00 0.00 H new ATOM 0 HH TYR A 23 29.899 -5.396 -0.963 1.00 0.00 H new ATOM 380 N PHE A 24 38.382 -5.484 -2.498 1.00 0.00 N ATOM 381 CA PHE A 24 39.000 -6.565 -3.263 1.00 0.00 C ATOM 382 C PHE A 24 39.858 -7.392 -2.303 1.00 0.00 C ATOM 383 O PHE A 24 39.891 -8.618 -2.379 1.00 0.00 O ATOM 384 CB PHE A 24 39.875 -5.991 -4.392 1.00 0.00 C ATOM 385 CG PHE A 24 39.355 -6.272 -5.777 1.00 0.00 C ATOM 386 CD1 PHE A 24 39.449 -7.558 -6.291 1.00 0.00 C ATOM 387 CD2 PHE A 24 38.813 -5.266 -6.566 1.00 0.00 C ATOM 388 CE1 PHE A 24 39.055 -7.823 -7.596 1.00 0.00 C ATOM 389 CE2 PHE A 24 38.416 -5.520 -7.873 1.00 0.00 C ATOM 390 CZ PHE A 24 38.549 -6.802 -8.393 1.00 0.00 C ATOM 0 H PHE A 24 39.026 -4.768 -2.162 1.00 0.00 H new ATOM 0 HA PHE A 24 38.230 -7.189 -3.718 1.00 0.00 H new ATOM 0 HB2 PHE A 24 39.959 -4.912 -4.259 1.00 0.00 H new ATOM 0 HB3 PHE A 24 40.880 -6.402 -4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 24 39.831 -8.357 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 24 38.698 -4.273 -6.158 1.00 0.00 H new ATOM 0 HE1 PHE A 24 39.142 -8.824 -7.993 1.00 0.00 H new ATOM 0 HE2 PHE A 24 38.007 -4.727 -8.481 1.00 0.00 H new ATOM 0 HZ PHE A 24 38.260 -7.005 -9.414 1.00 0.00 H new ATOM 400 N ALA A 25 40.535 -6.650 -1.397 1.00 0.00 N ATOM 401 CA ALA A 25 41.315 -7.293 -0.343 1.00 0.00 C ATOM 402 C ALA A 25 40.384 -7.952 0.692 1.00 0.00 C ATOM 403 O ALA A 25 40.736 -8.934 1.335 1.00 0.00 O ATOM 404 CB ALA A 25 42.227 -6.266 0.332 1.00 0.00 C ATOM 0 H ALA A 25 40.551 -5.630 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 25 41.933 -8.072 -0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 25 42.805 -6.753 1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 25 42.905 -5.840 -0.407 1.00 0.00 H new ATOM 0 HB3 ALA A 25 41.621 -5.472 0.768 1.00 0.00 H new ATOM 410 N CYS A 26 39.171 -7.364 0.777 1.00 0.00 N ATOM 411 CA CYS A 26 38.109 -7.908 1.621 1.00 0.00 C ATOM 412 C CYS A 26 37.304 -9.030 0.931 1.00 0.00 C ATOM 413 O CYS A 26 36.291 -9.471 1.462 1.00 0.00 O ATOM 414 CB CYS A 26 37.149 -6.773 1.979 1.00 0.00 C ATOM 415 SG CYS A 26 37.606 -6.008 3.547 1.00 0.00 S ATOM 0 H CYS A 26 38.913 -6.517 0.270 1.00 0.00 H new ATOM 0 HA CYS A 26 38.581 -8.341 2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 26 37.157 -6.023 1.189 1.00 0.00 H new ATOM 0 HB3 CYS A 26 36.132 -7.159 2.042 1.00 0.00 H new ATOM 0 HG CYS A 26 38.597 -5.189 3.357 1.00 0.00 H new ATOM 421 N GLU A 27 37.771 -9.453 -0.268 1.00 0.00 N ATOM 422 CA GLU A 27 37.077 -10.498 -1.025 1.00 0.00 C ATOM 423 C GLU A 27 35.603 -10.105 -1.304 1.00 0.00 C ATOM 424 O GLU A 27 34.663 -10.830 -0.995 1.00 0.00 O ATOM 425 CB GLU A 27 37.261 -11.859 -0.319 1.00 0.00 C ATOM 426 CG GLU A 27 36.389 -12.996 -0.894 1.00 0.00 C ATOM 427 CD GLU A 27 36.934 -14.412 -0.631 1.00 0.00 C ATOM 428 OE1 GLU A 27 38.148 -14.598 -0.631 1.00 0.00 O ATOM 429 OE2 GLU A 27 36.125 -15.324 -0.439 1.00 0.00 O ATOM 0 H GLU A 27 38.611 -9.088 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 27 37.523 -10.604 -2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 27 38.309 -12.151 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 27 37.030 -11.740 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 27 35.388 -12.920 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 27 36.290 -12.852 -1.970 1.00 0.00 H new ATOM 436 N LYS A 28 35.484 -8.904 -1.910 1.00 0.00 N ATOM 437 CA LYS A 28 34.246 -8.359 -2.468 1.00 0.00 C ATOM 438 C LYS A 28 33.004 -8.685 -1.626 1.00 0.00 C ATOM 439 O LYS A 28 32.067 -9.324 -2.093 1.00 0.00 O ATOM 440 CB LYS A 28 34.086 -8.844 -3.917 1.00 0.00 C ATOM 441 CG LYS A 28 35.350 -8.739 -4.791 1.00 0.00 C ATOM 442 CD LYS A 28 35.599 -7.356 -5.417 1.00 0.00 C ATOM 443 CE LYS A 28 35.427 -7.329 -6.938 1.00 0.00 C ATOM 444 NZ LYS A 28 36.055 -8.477 -7.585 1.00 0.00 N ATOM 0 H LYS A 28 36.278 -8.273 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 28 34.327 -7.272 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 28 33.761 -9.884 -3.900 1.00 0.00 H new ATOM 0 HB3 LYS A 28 33.289 -8.269 -4.389 1.00 0.00 H new ATOM 0 HG2 LYS A 28 36.215 -9.007 -4.185 1.00 0.00 H new ATOM 0 HG3 LYS A 28 35.281 -9.476 -5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 28 34.914 -6.636 -4.970 1.00 0.00 H new ATOM 0 HD3 LYS A 28 36.609 -7.031 -5.169 1.00 0.00 H new ATOM 0 HE2 LYS A 28 34.365 -7.313 -7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 28 35.858 -6.410 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 36.909 -8.166 -8.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 36.315 -9.181 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.388 -8.902 -8.261 1.00 0.00 H new ATOM 458 N ASN A 29 33.085 -8.229 -0.355 1.00 0.00 N ATOM 459 CA ASN A 29 32.067 -8.580 0.633 1.00 0.00 C ATOM 460 C ASN A 29 31.206 -7.329 0.883 1.00 0.00 C ATOM 461 O ASN A 29 31.014 -6.555 -0.033 1.00 0.00 O ATOM 462 CB ASN A 29 32.777 -9.135 1.890 1.00 0.00 C ATOM 463 CG ASN A 29 32.026 -10.278 2.590 1.00 0.00 C ATOM 464 OD1 ASN A 29 32.629 -11.102 3.273 1.00 0.00 O ATOM 465 ND2 ASN A 29 30.702 -10.307 2.364 1.00 0.00 N ATOM 0 H ASN A 29 33.833 -7.630 -0.005 1.00 0.00 H new ATOM 0 HA ASN A 29 31.392 -9.366 0.294 1.00 0.00 H new ATOM 0 HB2 ASN A 29 33.768 -9.488 1.606 1.00 0.00 H new ATOM 0 HB3 ASN A 29 32.920 -8.321 2.601 1.00 0.00 H new ATOM 0 HD21 ASN A 29 30.131 -11.048 2.771 1.00 0.00 H new ATOM 0 HD22 ASN A 29 30.268 -9.588 1.785 1.00 0.00 H new ATOM 472 N GLU A 30 30.704 -7.153 2.129 1.00 0.00 N ATOM 473 CA GLU A 30 29.873 -5.979 2.419 1.00 0.00 C ATOM 474 C GLU A 30 30.295 -5.354 3.740 1.00 0.00 C ATOM 475 O GLU A 30 30.965 -4.325 3.773 1.00 0.00 O ATOM 476 CB GLU A 30 28.381 -6.347 2.444 1.00 0.00 C ATOM 477 CG GLU A 30 27.796 -6.562 1.043 1.00 0.00 C ATOM 478 CD GLU A 30 26.269 -6.367 1.034 1.00 0.00 C ATOM 479 OE1 GLU A 30 25.586 -6.971 1.864 1.00 0.00 O ATOM 480 OE2 GLU A 30 25.779 -5.607 0.200 1.00 0.00 O ATOM 0 H GLU A 30 30.856 -7.785 2.915 1.00 0.00 H new ATOM 0 HA GLU A 30 30.020 -5.250 1.622 1.00 0.00 H new ATOM 0 HB2 GLU A 30 28.246 -7.255 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 30 27.825 -5.556 2.947 1.00 0.00 H new ATOM 0 HG2 GLU A 30 28.257 -5.864 0.344 1.00 0.00 H new ATOM 0 HG3 GLU A 30 28.038 -7.567 0.697 1.00 0.00 H new ATOM 487 N ASN A 31 29.864 -6.034 4.817 1.00 0.00 N ATOM 488 CA ASN A 31 30.224 -5.614 6.164 1.00 0.00 C ATOM 489 C ASN A 31 31.746 -5.639 6.362 1.00 0.00 C ATOM 490 O ASN A 31 32.257 -4.948 7.223 1.00 0.00 O ATOM 491 CB ASN A 31 29.562 -6.563 7.183 1.00 0.00 C ATOM 492 CG ASN A 31 28.563 -5.823 8.077 1.00 0.00 C ATOM 493 OD1 ASN A 31 27.716 -5.065 7.612 1.00 0.00 O ATOM 494 ND2 ASN A 31 28.714 -6.085 9.387 1.00 0.00 N ATOM 0 H ASN A 31 29.274 -6.865 4.773 1.00 0.00 H new ATOM 0 HA ASN A 31 29.874 -4.593 6.314 1.00 0.00 H new ATOM 0 HB2 ASN A 31 29.051 -7.367 6.653 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.330 -7.027 7.802 1.00 0.00 H new ATOM 0 HD21 ASN A 31 28.100 -5.641 10.070 1.00 0.00 H new ATOM 0 HD22 ASN A 31 29.442 -6.728 9.698 1.00 0.00 H new ATOM 501 N LEU A 32 32.418 -6.467 5.526 1.00 0.00 N ATOM 502 CA LEU A 32 33.865 -6.616 5.643 1.00 0.00 C ATOM 503 C LEU A 32 34.563 -5.378 5.051 1.00 0.00 C ATOM 504 O LEU A 32 35.487 -4.823 5.636 1.00 0.00 O ATOM 505 CB LEU A 32 34.326 -7.879 4.885 1.00 0.00 C ATOM 506 CG LEU A 32 35.455 -8.693 5.548 1.00 0.00 C ATOM 507 CD1 LEU A 32 36.236 -9.451 4.477 1.00 0.00 C ATOM 508 CD2 LEU A 32 36.409 -7.862 6.411 1.00 0.00 C ATOM 0 H LEU A 32 31.985 -7.022 4.788 1.00 0.00 H new ATOM 0 HA LEU A 32 34.129 -6.713 6.696 1.00 0.00 H new ATOM 0 HB2 LEU A 32 33.464 -8.533 4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 32 34.657 -7.581 3.890 1.00 0.00 H new ATOM 0 HG LEU A 32 34.969 -9.387 6.234 1.00 0.00 H new ATOM 0 HD11 LEU A 32 37.034 -10.026 4.947 1.00 0.00 H new ATOM 0 HD12 LEU A 32 35.565 -10.127 3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 32 36.668 -8.742 3.771 1.00 0.00 H new ATOM 0 HD21 LEU A 32 37.172 -8.512 6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 32 36.886 -7.099 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 32 35.849 -7.382 7.214 1.00 0.00 H new ATOM 520 N ALA A 33 34.056 -4.994 3.860 1.00 0.00 N ATOM 521 CA ALA A 33 34.614 -3.855 3.144 1.00 0.00 C ATOM 522 C ALA A 33 34.457 -2.561 3.927 1.00 0.00 C ATOM 523 O ALA A 33 35.409 -1.809 4.088 1.00 0.00 O ATOM 524 CB ALA A 33 33.964 -3.683 1.787 1.00 0.00 C ATOM 0 H ALA A 33 33.276 -5.454 3.391 1.00 0.00 H new ATOM 0 HA ALA A 33 35.676 -4.067 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 33 34.403 -2.824 1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 33 34.126 -4.580 1.189 1.00 0.00 H new ATOM 0 HB3 ALA A 33 32.894 -3.521 1.914 1.00 0.00 H new ATOM 530 N ALA A 34 33.220 -2.360 4.420 1.00 0.00 N ATOM 531 CA ALA A 34 32.955 -1.219 5.285 1.00 0.00 C ATOM 532 C ALA A 34 33.908 -1.239 6.492 1.00 0.00 C ATOM 533 O ALA A 34 34.569 -0.263 6.782 1.00 0.00 O ATOM 534 CB ALA A 34 31.496 -1.226 5.744 1.00 0.00 C ATOM 0 H ALA A 34 32.416 -2.960 4.235 1.00 0.00 H new ATOM 0 HA ALA A 34 33.129 -0.302 4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 34 31.314 -0.367 6.390 1.00 0.00 H new ATOM 0 HB2 ALA A 34 30.841 -1.172 4.875 1.00 0.00 H new ATOM 0 HB3 ALA A 34 31.292 -2.144 6.295 1.00 0.00 H new ATOM 540 N ASN A 35 33.988 -2.423 7.139 1.00 0.00 N ATOM 541 CA ASN A 35 34.884 -2.529 8.293 1.00 0.00 C ATOM 542 C ASN A 35 36.345 -2.185 7.943 1.00 0.00 C ATOM 543 O ASN A 35 37.051 -1.643 8.768 1.00 0.00 O ATOM 544 CB ASN A 35 34.864 -3.948 8.885 1.00 0.00 C ATOM 545 CG ASN A 35 34.826 -3.936 10.418 1.00 0.00 C ATOM 546 OD1 ASN A 35 34.974 -2.911 11.081 1.00 0.00 O ATOM 547 ND2 ASN A 35 34.580 -5.152 10.932 1.00 0.00 N ATOM 0 H ASN A 35 33.473 -3.269 6.895 1.00 0.00 H new ATOM 0 HA ASN A 35 34.511 -1.806 9.019 1.00 0.00 H new ATOM 0 HB2 ASN A 35 33.995 -4.486 8.506 1.00 0.00 H new ATOM 0 HB3 ASN A 35 35.747 -4.492 8.549 1.00 0.00 H new ATOM 0 HD21 ASN A 35 34.504 -5.273 11.942 1.00 0.00 H new ATOM 0 HD22 ASN A 35 34.470 -5.955 10.312 1.00 0.00 H new ATOM 554 N PHE A 36 36.748 -2.514 6.691 1.00 0.00 N ATOM 555 CA PHE A 36 38.107 -2.212 6.228 1.00 0.00 C ATOM 556 C PHE A 36 38.337 -0.687 6.232 1.00 0.00 C ATOM 557 O PHE A 36 39.280 -0.197 6.831 1.00 0.00 O ATOM 558 CB PHE A 36 38.327 -2.826 4.828 1.00 0.00 C ATOM 559 CG PHE A 36 39.704 -2.615 4.227 1.00 0.00 C ATOM 560 CD1 PHE A 36 40.139 -1.349 3.838 1.00 0.00 C ATOM 561 CD2 PHE A 36 40.548 -3.698 3.999 1.00 0.00 C ATOM 562 CE1 PHE A 36 41.371 -1.159 3.232 1.00 0.00 C ATOM 563 CE2 PHE A 36 41.786 -3.515 3.391 1.00 0.00 C ATOM 564 CZ PHE A 36 42.198 -2.247 3.003 1.00 0.00 C ATOM 0 H PHE A 36 36.157 -2.980 6.002 1.00 0.00 H new ATOM 0 HA PHE A 36 38.837 -2.655 6.905 1.00 0.00 H new ATOM 0 HB2 PHE A 36 38.137 -3.898 4.887 1.00 0.00 H new ATOM 0 HB3 PHE A 36 37.585 -2.408 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 36 39.501 -0.496 4.013 1.00 0.00 H new ATOM 0 HD2 PHE A 36 40.239 -4.689 4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 36 41.685 -0.168 2.940 1.00 0.00 H new ATOM 0 HE2 PHE A 36 42.431 -4.364 3.220 1.00 0.00 H new ATOM 0 HZ PHE A 36 43.157 -2.110 2.526 1.00 0.00 H new ATOM 574 N LEU A 37 37.427 0.016 5.516 1.00 0.00 N ATOM 575 CA LEU A 37 37.602 1.445 5.267 1.00 0.00 C ATOM 576 C LEU A 37 37.435 2.283 6.550 1.00 0.00 C ATOM 577 O LEU A 37 38.024 3.354 6.686 1.00 0.00 O ATOM 578 CB LEU A 37 36.593 1.920 4.214 1.00 0.00 C ATOM 579 CG LEU A 37 36.735 1.265 2.828 1.00 0.00 C ATOM 580 CD1 LEU A 37 35.467 0.509 2.433 1.00 0.00 C ATOM 581 CD2 LEU A 37 37.107 2.268 1.721 1.00 0.00 C ATOM 0 H LEU A 37 36.581 -0.386 5.111 1.00 0.00 H new ATOM 0 HA LEU A 37 38.620 1.588 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 37 35.586 1.730 4.587 1.00 0.00 H new ATOM 0 HB3 LEU A 37 36.692 2.999 4.100 1.00 0.00 H new ATOM 0 HG LEU A 37 37.560 0.559 2.922 1.00 0.00 H new ATOM 0 HD11 LEU A 37 35.603 0.059 1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 37 35.267 -0.273 3.165 1.00 0.00 H new ATOM 0 HD13 LEU A 37 34.625 1.201 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 37 37.192 1.744 0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 37 36.333 3.032 1.647 1.00 0.00 H new ATOM 0 HD23 LEU A 37 38.060 2.739 1.962 1.00 0.00 H new ATOM 593 N LEU A 38 36.601 1.744 7.466 1.00 0.00 N ATOM 594 CA LEU A 38 36.271 2.462 8.696 1.00 0.00 C ATOM 595 C LEU A 38 37.343 2.177 9.769 1.00 0.00 C ATOM 596 O LEU A 38 37.564 2.974 10.676 1.00 0.00 O ATOM 597 CB LEU A 38 34.856 2.110 9.228 1.00 0.00 C ATOM 598 CG LEU A 38 33.660 2.132 8.238 1.00 0.00 C ATOM 599 CD1 LEU A 38 32.440 2.880 8.778 1.00 0.00 C ATOM 600 CD2 LEU A 38 33.999 2.678 6.856 1.00 0.00 C ATOM 0 H LEU A 38 36.156 0.831 7.372 1.00 0.00 H new ATOM 0 HA LEU A 38 36.261 3.527 8.464 1.00 0.00 H new ATOM 0 HB2 LEU A 38 34.906 1.112 9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 38 34.626 2.801 10.039 1.00 0.00 H new ATOM 0 HG LEU A 38 33.413 1.076 8.132 1.00 0.00 H new ATOM 0 HD11 LEU A 38 31.641 2.857 8.036 1.00 0.00 H new ATOM 0 HD12 LEU A 38 32.097 2.402 9.696 1.00 0.00 H new ATOM 0 HD13 LEU A 38 32.711 3.915 8.987 1.00 0.00 H new ATOM 0 HD21 LEU A 38 33.108 2.658 6.228 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.355 3.704 6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 38 34.776 2.063 6.402 1.00 0.00 H new ATOM 612 N SER A 39 37.988 0.999 9.588 1.00 0.00 N ATOM 613 CA SER A 39 39.059 0.540 10.471 1.00 0.00 C ATOM 614 C SER A 39 40.443 1.023 10.005 1.00 0.00 C ATOM 615 O SER A 39 41.429 0.835 10.708 1.00 0.00 O ATOM 616 CB SER A 39 39.063 -0.994 10.562 1.00 0.00 C ATOM 617 OG SER A 39 39.979 -1.481 11.523 1.00 0.00 O ATOM 0 H SER A 39 37.774 0.353 8.828 1.00 0.00 H new ATOM 0 HA SER A 39 38.862 0.969 11.453 1.00 0.00 H new ATOM 0 HB2 SER A 39 38.061 -1.342 10.812 1.00 0.00 H new ATOM 0 HB3 SER A 39 39.311 -1.411 9.586 1.00 0.00 H new ATOM 0 HG SER A 39 40.723 -0.850 11.615 1.00 0.00 H new ATOM 623 N GLN A 40 40.463 1.660 8.809 1.00 0.00 N ATOM 624 CA GLN A 40 41.692 2.294 8.333 1.00 0.00 C ATOM 625 C GLN A 40 41.884 3.634 9.071 1.00 0.00 C ATOM 626 O GLN A 40 41.497 4.700 8.602 1.00 0.00 O ATOM 627 CB GLN A 40 41.665 2.507 6.804 1.00 0.00 C ATOM 628 CG GLN A 40 42.067 1.285 5.961 1.00 0.00 C ATOM 629 CD GLN A 40 43.476 0.727 6.243 1.00 0.00 C ATOM 630 OE1 GLN A 40 43.637 -0.272 6.937 1.00 0.00 O ATOM 631 NE2 GLN A 40 44.445 1.318 5.519 1.00 0.00 N ATOM 0 H GLN A 40 39.663 1.742 8.181 1.00 0.00 H new ATOM 0 HA GLN A 40 42.534 1.635 8.547 1.00 0.00 H new ATOM 0 HB2 GLN A 40 40.659 2.812 6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 40 42.332 3.333 6.557 1.00 0.00 H new ATOM 0 HG2 GLN A 40 41.339 0.492 6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 40 42.005 1.555 4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 40 44.234 2.148 4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 40 45.391 0.936 5.524 1.00 0.00 H new ATOM 640 N ASN A 41 42.550 3.478 10.236 1.00 0.00 N ATOM 641 CA ASN A 41 43.046 4.576 11.069 1.00 0.00 C ATOM 642 C ASN A 41 43.833 5.595 10.232 1.00 0.00 C ATOM 643 O ASN A 41 44.772 5.261 9.520 1.00 0.00 O ATOM 644 CB ASN A 41 43.943 4.027 12.196 1.00 0.00 C ATOM 645 CG ASN A 41 44.647 2.716 11.798 1.00 0.00 C ATOM 646 OD1 ASN A 41 45.505 2.677 10.918 1.00 0.00 O ATOM 647 ND2 ASN A 41 44.169 1.642 12.456 1.00 0.00 N ATOM 0 H ASN A 41 42.759 2.559 10.626 1.00 0.00 H new ATOM 0 HA ASN A 41 42.184 5.080 11.505 1.00 0.00 H new ATOM 0 HB2 ASN A 41 44.692 4.774 12.457 1.00 0.00 H new ATOM 0 HB3 ASN A 41 43.339 3.856 13.087 1.00 0.00 H new ATOM 0 HD21 ASN A 41 44.521 0.710 12.235 1.00 0.00 H new ATOM 0 HD22 ASN A 41 43.455 1.760 13.175 1.00 0.00 H new ATOM 654 N PHE A 42 43.344 6.849 10.372 1.00 0.00 N ATOM 655 CA PHE A 42 43.847 7.957 9.576 1.00 0.00 C ATOM 656 C PHE A 42 43.206 9.259 10.080 1.00 0.00 C ATOM 657 O PHE A 42 42.017 9.491 9.906 1.00 0.00 O ATOM 658 CB PHE A 42 43.504 7.730 8.087 1.00 0.00 C ATOM 659 CG PHE A 42 44.285 8.644 7.185 1.00 0.00 C ATOM 660 CD1 PHE A 42 45.671 8.530 7.108 1.00 0.00 C ATOM 661 CD2 PHE A 42 43.641 9.603 6.414 1.00 0.00 C ATOM 662 CE1 PHE A 42 46.402 9.365 6.276 1.00 0.00 C ATOM 663 CE2 PHE A 42 44.370 10.440 5.580 1.00 0.00 C ATOM 664 CZ PHE A 42 45.751 10.322 5.511 1.00 0.00 C ATOM 0 H PHE A 42 42.606 7.103 11.029 1.00 0.00 H new ATOM 0 HA PHE A 42 44.931 8.025 9.673 1.00 0.00 H new ATOM 0 HB2 PHE A 42 43.711 6.694 7.821 1.00 0.00 H new ATOM 0 HB3 PHE A 42 42.437 7.892 7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 42 46.181 7.785 7.701 1.00 0.00 H new ATOM 0 HD2 PHE A 42 42.566 9.698 6.464 1.00 0.00 H new ATOM 0 HE1 PHE A 42 47.477 9.270 6.224 1.00 0.00 H new ATOM 0 HE2 PHE A 42 43.862 11.184 4.984 1.00 0.00 H new ATOM 0 HZ PHE A 42 46.318 10.974 4.863 1.00 0.00 H new ATOM 674 N ASP A 43 44.076 10.080 10.707 1.00 0.00 N ATOM 675 CA ASP A 43 43.657 11.384 11.219 1.00 0.00 C ATOM 676 C ASP A 43 44.313 12.490 10.369 1.00 0.00 C ATOM 677 O ASP A 43 44.587 12.299 9.192 1.00 0.00 O ATOM 678 CB ASP A 43 43.952 11.465 12.734 1.00 0.00 C ATOM 679 CG ASP A 43 45.447 11.635 13.108 1.00 0.00 C ATOM 680 OD1 ASP A 43 46.293 10.944 12.544 1.00 0.00 O ATOM 681 OD2 ASP A 43 45.746 12.472 13.963 1.00 0.00 O ATOM 0 H ASP A 43 45.059 9.858 10.865 1.00 0.00 H new ATOM 0 HA ASP A 43 42.581 11.529 11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 43 43.392 12.301 13.153 1.00 0.00 H new ATOM 0 HB3 ASP A 43 43.576 10.559 13.210 1.00 0.00 H new ATOM 686 N ASP A 44 44.559 13.634 11.048 1.00 0.00 N ATOM 687 CA ASP A 44 45.229 14.801 10.472 1.00 0.00 C ATOM 688 C ASP A 44 46.445 14.423 9.602 1.00 0.00 C ATOM 689 O ASP A 44 46.523 14.784 8.432 1.00 0.00 O ATOM 690 CB ASP A 44 45.704 15.707 11.620 1.00 0.00 C ATOM 691 CG ASP A 44 44.559 16.264 12.492 1.00 0.00 C ATOM 692 OD1 ASP A 44 43.388 16.092 12.149 1.00 0.00 O ATOM 693 OD2 ASP A 44 44.861 16.874 13.517 1.00 0.00 O ATOM 0 H ASP A 44 44.290 13.764 12.023 1.00 0.00 H new ATOM 0 HA ASP A 44 44.512 15.309 9.827 1.00 0.00 H new ATOM 0 HB2 ASP A 44 46.390 15.144 12.254 1.00 0.00 H new ATOM 0 HB3 ASP A 44 46.268 16.541 11.202 1.00 0.00 H new ATOM 698 N GLU A 45 47.364 13.673 10.248 1.00 0.00 N ATOM 699 CA GLU A 45 48.541 13.140 9.570 1.00 0.00 C ATOM 700 C GLU A 45 48.256 11.693 9.104 1.00 0.00 C ATOM 701 O GLU A 45 48.145 10.798 9.939 1.00 0.00 O ATOM 702 CB GLU A 45 49.770 13.259 10.490 1.00 0.00 C ATOM 703 CG GLU A 45 49.610 12.617 11.888 1.00 0.00 C ATOM 704 CD GLU A 45 49.799 13.637 13.027 1.00 0.00 C ATOM 705 OE1 GLU A 45 50.819 14.323 13.043 1.00 0.00 O ATOM 706 OE2 GLU A 45 48.922 13.732 13.889 1.00 0.00 O ATOM 707 OXT GLU A 45 48.137 11.481 7.896 1.00 0.00 O ATOM 0 H GLU A 45 47.304 13.429 11.237 1.00 0.00 H new ATOM 0 HA GLU A 45 48.768 13.720 8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 45 50.623 12.798 9.992 1.00 0.00 H new ATOM 0 HB3 GLU A 45 50.008 14.315 10.618 1.00 0.00 H new ATOM 0 HG2 GLU A 45 48.620 12.167 11.967 1.00 0.00 H new ATOM 0 HG3 GLU A 45 50.336 11.812 12.001 1.00 0.00 H new TER 714 GLU A 45