USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 497 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 39 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 42 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 5 ASN : amide:sc= -2.36! C(o=-2.4!,f=-10!) USER MOD Single : A 7 LYS NZ :NH3+ 160:sc= -0.149 (180deg=-0.94) USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= 0.651 (180deg=0.0753) USER MOD Single : A 13 LYS NZ :NH3+ 154:sc= -0.105 (180deg=-0.641) USER MOD Single : A 14 LYS NZ :NH3+ 144:sc= 0.552! (180deg=-0.0897!) USER MOD Single : A 16 SER OG : rot 101:sc= 0.992 USER MOD Single : A 17 GLN : amide:sc= -0.715 X(o=-0.71,f=-0.23) USER MOD Single : A 18 SER OG : rot 103:sc= 1.21 USER MOD Single : A 27 SER OG : rot 180:sc= 0.0269 USER MOD Single : A 29 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.24) USER MOD Single : A 30 THR OG1 : rot 112:sc= 1.26 USER MOD Single : A 32 ASN : amide:sc= 0.941 K(o=0.94,f=-0.54) USER MOD Single : A 36 LYS NZ :NH3+ 171:sc= -1.21 (180deg=-1.61) USER MOD Single : A 37 ASN : amide:sc= -1.13 K(o=-1.1,f=-2) USER MOD Single : A 38 LYS NZ :NH3+ -159:sc= 0.712 (180deg=-0.928!) USER MOD Single : A 40 ASN : amide:sc= -4.52! C(o=-4.5!,f=-15!) USER MOD Single : A 44 GLN : amide:sc= -3.9! C(o=-3.9!,f=-14!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.789! K(o=-0.79!,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 70:sc= 0.747 USER MOD ----------------------------------------------------------------- ATOM 70 N ASN A 5 -7.407 -4.742 7.991 1.00 0.00 N ATOM 71 CA ASN A 5 -6.248 -3.856 8.026 1.00 0.00 C ATOM 72 C ASN A 5 -5.029 -4.469 7.353 1.00 0.00 C ATOM 73 O ASN A 5 -5.084 -5.576 6.814 1.00 0.00 O ATOM 74 CB ASN A 5 -5.906 -3.471 9.472 1.00 0.00 C ATOM 75 CG ASN A 5 -5.397 -4.686 10.243 1.00 0.00 C ATOM 76 OD1 ASN A 5 -5.397 -5.802 9.716 1.00 0.00 O ATOM 77 ND2 ASN A 5 -4.961 -4.540 11.458 1.00 0.00 N ATOM 0 HA ASN A 5 -6.519 -2.961 7.465 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -5.149 -2.687 9.476 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.789 -3.064 9.965 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -4.618 -5.348 11.977 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -4.961 -3.617 11.893 1.00 0.00 H new ATOM 84 N LEU A 6 -3.922 -3.734 7.397 1.00 0.00 N ATOM 85 CA LEU A 6 -2.681 -4.158 6.760 1.00 0.00 C ATOM 86 C LEU A 6 -2.204 -5.484 7.329 1.00 0.00 C ATOM 87 O LEU A 6 -1.659 -6.317 6.602 1.00 0.00 O ATOM 88 CB LEU A 6 -1.596 -3.089 6.924 1.00 0.00 C ATOM 89 CG LEU A 6 -1.983 -1.822 6.140 1.00 0.00 C ATOM 90 CD1 LEU A 6 -0.991 -0.698 6.446 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.955 -2.113 4.637 1.00 0.00 C ATOM 0 H LEU A 6 -3.860 -2.834 7.872 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.879 -4.292 5.697 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.467 -2.849 7.979 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.640 -3.471 6.565 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.986 -1.518 6.438 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.270 0.196 5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.007 -0.479 7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.012 -1.009 6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.230 -1.213 4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.952 -2.425 4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.663 -2.909 4.407 1.00 0.00 H new ATOM 103 N LYS A 7 -2.506 -5.729 8.594 1.00 0.00 N ATOM 104 CA LYS A 7 -2.191 -7.018 9.195 1.00 0.00 C ATOM 105 C LYS A 7 -2.810 -8.129 8.372 1.00 0.00 C ATOM 106 O LYS A 7 -2.153 -9.120 8.042 1.00 0.00 O ATOM 107 CB LYS A 7 -2.751 -7.082 10.630 1.00 0.00 C ATOM 108 CG LYS A 7 -2.524 -8.484 11.206 1.00 0.00 C ATOM 109 CD LYS A 7 -3.063 -8.578 12.634 1.00 0.00 C ATOM 110 CE LYS A 7 -2.908 -10.022 13.142 1.00 0.00 C ATOM 111 NZ LYS A 7 -1.577 -10.569 12.748 1.00 0.00 N ATOM 0 H LYS A 7 -2.962 -5.064 9.218 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.108 -7.139 9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.261 -6.336 11.256 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.815 -6.846 10.627 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.017 -9.225 10.577 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.459 -8.717 11.198 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.522 -7.891 13.285 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.112 -8.282 12.659 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.012 -10.046 14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.701 -10.646 12.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.340 -11.378 13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.609 -10.880 11.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.852 -9.831 12.856 1.00 0.00 H new ATOM 125 N LEU A 8 -4.055 -7.947 8.037 1.00 0.00 N ATOM 126 CA LEU A 8 -4.791 -8.913 7.252 1.00 0.00 C ATOM 127 C LEU A 8 -4.300 -8.940 5.807 1.00 0.00 C ATOM 128 O LEU A 8 -4.343 -9.978 5.136 1.00 0.00 O ATOM 129 CB LEU A 8 -6.278 -8.633 7.360 1.00 0.00 C ATOM 130 CG LEU A 8 -6.689 -8.798 8.838 1.00 0.00 C ATOM 131 CD1 LEU A 8 -8.145 -8.375 9.022 1.00 0.00 C ATOM 132 CD2 LEU A 8 -6.544 -10.267 9.257 1.00 0.00 C ATOM 0 H LEU A 8 -4.596 -7.123 8.299 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.612 -9.912 7.650 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.502 -7.624 7.013 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.842 -9.320 6.729 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.043 -8.172 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.429 -8.494 10.068 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.260 -7.331 8.731 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.786 -8.998 8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -6.835 -10.378 10.301 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -7.186 -10.888 8.633 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.507 -10.580 9.135 1.00 0.00 H new ATOM 144 N ILE A 9 -3.791 -7.815 5.341 1.00 0.00 N ATOM 145 CA ILE A 9 -3.244 -7.725 3.993 1.00 0.00 C ATOM 146 C ILE A 9 -2.064 -8.680 3.861 1.00 0.00 C ATOM 147 O ILE A 9 -1.896 -9.329 2.825 1.00 0.00 O ATOM 148 CB ILE A 9 -2.794 -6.285 3.663 1.00 0.00 C ATOM 149 CG1 ILE A 9 -4.003 -5.344 3.595 1.00 0.00 C ATOM 150 CG2 ILE A 9 -2.063 -6.260 2.313 1.00 0.00 C ATOM 151 CD1 ILE A 9 -4.944 -5.768 2.464 1.00 0.00 C ATOM 0 H ILE A 9 -3.743 -6.947 5.875 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.026 -8.001 3.286 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.122 -5.948 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.537 -5.357 4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.667 -4.320 3.433 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.749 -5.241 2.088 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.187 -6.907 2.361 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.733 -6.614 1.530 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.798 -5.091 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -4.411 -5.731 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -5.294 -6.784 2.644 1.00 0.00 H new ATOM 163 N ARG A 10 -1.224 -8.724 4.887 1.00 0.00 N ATOM 164 CA ARG A 10 -0.009 -9.534 4.833 1.00 0.00 C ATOM 165 C ARG A 10 -0.399 -10.959 4.467 1.00 0.00 C ATOM 166 O ARG A 10 0.173 -11.566 3.558 1.00 0.00 O ATOM 167 CB ARG A 10 0.623 -9.586 6.230 1.00 0.00 C ATOM 168 CG ARG A 10 1.013 -8.186 6.708 1.00 0.00 C ATOM 169 CD ARG A 10 1.616 -8.307 8.112 1.00 0.00 C ATOM 170 NE ARG A 10 1.744 -6.997 8.744 1.00 0.00 N ATOM 171 CZ ARG A 10 2.181 -6.873 9.998 1.00 0.00 C ATOM 172 NH1 ARG A 10 2.619 -7.923 10.642 1.00 0.00 N ATOM 173 NH2 ARG A 10 2.167 -5.719 10.574 1.00 0.00 N ATOM 0 H ARG A 10 -1.357 -8.214 5.760 1.00 0.00 H new ATOM 0 HA ARG A 10 0.684 -9.108 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -0.079 -10.032 6.934 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.505 -10.226 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 10 1.733 -7.738 6.023 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.140 -7.534 6.725 1.00 0.00 H new ATOM 0 HD2 ARG A 10 0.987 -8.951 8.727 1.00 0.00 H new ATOM 0 HD3 ARG A 10 2.595 -8.782 8.051 1.00 0.00 H new ATOM 0 HE ARG A 10 1.494 -6.161 8.216 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.626 -8.835 10.185 1.00 0.00 H new ATOM 0 HH12 ARG A 10 2.954 -7.830 11.601 1.00 0.00 H new ATOM 0 HH21 ARG A 10 1.822 -4.902 10.070 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.501 -5.624 11.533 1.00 0.00 H new ATOM 187 N GLU A 11 -1.429 -11.458 5.130 1.00 0.00 N ATOM 188 CA GLU A 11 -1.956 -12.767 4.822 1.00 0.00 C ATOM 189 C GLU A 11 -2.623 -12.785 3.460 1.00 0.00 C ATOM 190 O GLU A 11 -2.479 -13.755 2.717 1.00 0.00 O ATOM 191 CB GLU A 11 -2.905 -13.264 5.920 1.00 0.00 C ATOM 192 CG GLU A 11 -2.085 -13.870 7.067 1.00 0.00 C ATOM 193 CD GLU A 11 -1.524 -12.792 7.947 1.00 0.00 C ATOM 194 OE1 GLU A 11 -2.210 -12.383 8.848 1.00 0.00 O ATOM 195 OE2 GLU A 11 -0.405 -12.399 7.723 1.00 0.00 O ATOM 0 H GLU A 11 -1.914 -10.972 5.885 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.115 -13.459 4.784 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.514 -12.439 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.590 -14.009 5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.714 -14.537 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.273 -14.473 6.661 1.00 0.00 H new ATOM 202 N LYS A 12 -3.326 -11.710 3.114 1.00 0.00 N ATOM 203 CA LYS A 12 -3.954 -11.644 1.805 1.00 0.00 C ATOM 204 C LYS A 12 -2.897 -11.682 0.713 1.00 0.00 C ATOM 205 O LYS A 12 -3.032 -12.414 -0.265 1.00 0.00 O ATOM 206 CB LYS A 12 -4.810 -10.383 1.657 1.00 0.00 C ATOM 207 CG LYS A 12 -5.545 -10.432 0.304 1.00 0.00 C ATOM 208 CD LYS A 12 -6.425 -9.194 0.132 1.00 0.00 C ATOM 209 CE LYS A 12 -5.538 -7.955 -0.087 1.00 0.00 C ATOM 210 NZ LYS A 12 -5.714 -7.454 -1.470 1.00 0.00 N ATOM 0 H LYS A 12 -3.471 -10.893 3.707 1.00 0.00 H new ATOM 0 HA LYS A 12 -4.608 -12.510 1.706 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.529 -10.318 2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.183 -9.493 1.713 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.821 -10.487 -0.509 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.157 -11.332 0.248 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.096 -9.328 -0.717 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.050 -9.055 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.801 -7.176 0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.492 -8.209 0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.419 -6.458 -1.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.133 -8.020 -2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.715 -7.532 -1.743 1.00 0.00 H new ATOM 224 N LYS A 13 -1.845 -10.891 0.885 1.00 0.00 N ATOM 225 CA LYS A 13 -0.764 -10.852 -0.094 1.00 0.00 C ATOM 226 C LYS A 13 0.177 -12.039 0.092 1.00 0.00 C ATOM 227 O LYS A 13 0.984 -12.351 -0.789 1.00 0.00 O ATOM 228 CB LYS A 13 -0.026 -9.498 -0.062 1.00 0.00 C ATOM 229 CG LYS A 13 0.995 -9.425 -1.214 1.00 0.00 C ATOM 230 CD LYS A 13 1.551 -8.001 -1.327 1.00 0.00 C ATOM 231 CE LYS A 13 2.609 -7.919 -2.444 1.00 0.00 C ATOM 232 NZ LYS A 13 2.134 -8.635 -3.665 1.00 0.00 N ATOM 0 H LYS A 13 -1.717 -10.272 1.686 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.198 -10.942 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.743 -8.682 -0.149 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.483 -9.375 0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.808 -10.129 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.520 -9.715 -2.151 1.00 0.00 H new ATOM 0 HD2 LYS A 13 0.740 -7.304 -1.535 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.993 -7.701 -0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 13 2.814 -6.876 -2.683 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.546 -8.357 -2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.594 -8.231 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.374 -9.644 -3.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 1.103 -8.529 -3.750 1.00 0.00 H new ATOM 246 N LYS A 14 -0.015 -12.770 1.190 1.00 0.00 N ATOM 247 CA LYS A 14 0.724 -14.008 1.440 1.00 0.00 C ATOM 248 C LYS A 14 2.231 -13.788 1.445 1.00 0.00 C ATOM 249 O LYS A 14 2.916 -14.091 0.460 1.00 0.00 O ATOM 250 CB LYS A 14 0.359 -15.072 0.397 1.00 0.00 C ATOM 251 CG LYS A 14 -1.110 -15.490 0.534 1.00 0.00 C ATOM 252 CD LYS A 14 -1.297 -16.311 1.812 1.00 0.00 C ATOM 253 CE LYS A 14 -2.754 -16.766 1.919 1.00 0.00 C ATOM 254 NZ LYS A 14 -3.476 -15.905 2.874 1.00 0.00 N ATOM 0 H LYS A 14 -0.679 -12.525 1.924 1.00 0.00 H new ATOM 0 HA LYS A 14 0.435 -14.355 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.538 -14.682 -0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.002 -15.943 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.748 -14.607 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.414 -16.076 -0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.635 -17.177 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.027 -15.714 2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -3.232 -16.720 0.940 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.797 -17.805 2.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -4.452 -15.763 2.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -3.490 -16.359 3.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.996 -14.985 2.943 1.00 0.00 H new ATOM 268 N ILE A 15 2.749 -13.282 2.548 1.00 0.00 N ATOM 269 CA ILE A 15 4.181 -13.074 2.674 1.00 0.00 C ATOM 270 C ILE A 15 4.778 -14.257 3.416 1.00 0.00 C ATOM 271 O ILE A 15 4.467 -14.468 4.596 1.00 0.00 O ATOM 272 CB ILE A 15 4.461 -11.817 3.507 1.00 0.00 C ATOM 273 CG1 ILE A 15 3.749 -10.612 2.911 1.00 0.00 C ATOM 274 CG2 ILE A 15 5.972 -11.531 3.527 1.00 0.00 C ATOM 275 CD1 ILE A 15 3.884 -9.440 3.886 1.00 0.00 C ATOM 0 H ILE A 15 2.204 -13.008 3.366 1.00 0.00 H new ATOM 0 HA ILE A 15 4.613 -12.966 1.679 1.00 0.00 H new ATOM 0 HB ILE A 15 4.097 -11.991 4.519 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.184 -10.354 1.945 1.00 0.00 H new ATOM 0 HG13 ILE A 15 2.698 -10.841 2.736 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.165 -10.637 4.120 1.00 0.00 H new ATOM 0 HG22 ILE A 15 6.497 -12.379 3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.326 -11.374 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 15 3.379 -8.565 3.476 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.430 -9.707 4.840 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.939 -9.212 4.037 1.00 0.00 H new ATOM 287 N SER A 16 5.697 -14.957 2.791 1.00 0.00 N ATOM 288 CA SER A 16 6.418 -16.009 3.481 1.00 0.00 C ATOM 289 C SER A 16 7.711 -15.425 4.022 1.00 0.00 C ATOM 290 O SER A 16 8.083 -14.299 3.657 1.00 0.00 O ATOM 291 CB SER A 16 6.693 -17.191 2.546 1.00 0.00 C ATOM 292 OG SER A 16 5.610 -17.311 1.622 1.00 0.00 O ATOM 0 H SER A 16 5.963 -14.821 1.816 1.00 0.00 H new ATOM 0 HA SER A 16 5.815 -16.391 4.305 1.00 0.00 H new ATOM 0 HB2 SER A 16 7.630 -17.038 2.011 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.801 -18.110 3.122 1.00 0.00 H new ATOM 0 HG SER A 16 5.869 -16.919 0.762 1.00 0.00 H new ATOM 298 N GLN A 17 8.377 -16.137 4.908 1.00 0.00 N ATOM 299 CA GLN A 17 9.581 -15.603 5.519 1.00 0.00 C ATOM 300 C GLN A 17 10.557 -15.141 4.446 1.00 0.00 C ATOM 301 O GLN A 17 11.171 -14.090 4.574 1.00 0.00 O ATOM 302 CB GLN A 17 10.252 -16.640 6.425 1.00 0.00 C ATOM 303 CG GLN A 17 9.301 -17.041 7.562 1.00 0.00 C ATOM 304 CD GLN A 17 8.951 -15.838 8.431 1.00 0.00 C ATOM 305 OE1 GLN A 17 7.812 -15.708 8.878 1.00 0.00 O ATOM 306 NE2 GLN A 17 9.856 -14.945 8.693 1.00 0.00 N ATOM 0 H GLN A 17 8.113 -17.072 5.219 1.00 0.00 H new ATOM 0 HA GLN A 17 9.293 -14.750 6.134 1.00 0.00 H new ATOM 0 HB2 GLN A 17 10.527 -17.520 5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.174 -16.231 6.839 1.00 0.00 H new ATOM 0 HG2 GLN A 17 8.390 -17.470 7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.766 -17.814 8.174 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.800 -15.052 8.323 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.623 -14.136 9.269 1.00 0.00 H new ATOM 315 N SER A 18 10.632 -15.886 3.357 1.00 0.00 N ATOM 316 CA SER A 18 11.496 -15.508 2.253 1.00 0.00 C ATOM 317 C SER A 18 11.103 -14.140 1.695 1.00 0.00 C ATOM 318 O SER A 18 11.945 -13.251 1.563 1.00 0.00 O ATOM 319 CB SER A 18 11.425 -16.575 1.153 1.00 0.00 C ATOM 320 OG SER A 18 10.140 -17.217 1.194 1.00 0.00 O ATOM 0 H SER A 18 10.109 -16.750 3.214 1.00 0.00 H new ATOM 0 HA SER A 18 12.520 -15.438 2.620 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.585 -16.118 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.216 -17.311 1.293 1.00 0.00 H new ATOM 0 HG SER A 18 9.580 -16.875 0.466 1.00 0.00 H new ATOM 326 N GLU A 19 9.812 -13.941 1.459 1.00 0.00 N ATOM 327 CA GLU A 19 9.325 -12.652 0.991 1.00 0.00 C ATOM 328 C GLU A 19 9.502 -11.612 2.076 1.00 0.00 C ATOM 329 O GLU A 19 9.900 -10.475 1.812 1.00 0.00 O ATOM 330 CB GLU A 19 7.847 -12.738 0.591 1.00 0.00 C ATOM 331 CG GLU A 19 7.673 -13.739 -0.557 1.00 0.00 C ATOM 332 CD GLU A 19 7.440 -15.120 0.002 1.00 0.00 C ATOM 333 OE1 GLU A 19 8.402 -15.817 0.228 1.00 0.00 O ATOM 334 OE2 GLU A 19 6.300 -15.461 0.213 1.00 0.00 O ATOM 0 H GLU A 19 9.089 -14.650 1.583 1.00 0.00 H new ATOM 0 HA GLU A 19 9.903 -12.365 0.113 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.247 -13.046 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.486 -11.756 0.286 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.832 -13.444 -1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.560 -13.738 -1.191 1.00 0.00 H new ATOM 341 N LEU A 20 9.226 -12.014 3.304 1.00 0.00 N ATOM 342 CA LEU A 20 9.381 -11.118 4.431 1.00 0.00 C ATOM 343 C LEU A 20 10.842 -10.721 4.564 1.00 0.00 C ATOM 344 O LEU A 20 11.166 -9.540 4.693 1.00 0.00 O ATOM 345 CB LEU A 20 8.869 -11.775 5.717 1.00 0.00 C ATOM 346 CG LEU A 20 8.999 -10.802 6.894 1.00 0.00 C ATOM 347 CD1 LEU A 20 8.220 -9.513 6.596 1.00 0.00 C ATOM 348 CD2 LEU A 20 8.420 -11.458 8.148 1.00 0.00 C ATOM 0 H LEU A 20 8.896 -12.949 3.543 1.00 0.00 H new ATOM 0 HA LEU A 20 8.787 -10.220 4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 20 7.827 -12.071 5.593 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.436 -12.683 5.921 1.00 0.00 H new ATOM 0 HG LEU A 20 10.050 -10.559 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.317 -8.826 7.437 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.621 -9.045 5.697 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.168 -9.751 6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.508 -10.773 8.991 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.369 -11.696 7.982 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.969 -12.374 8.366 1.00 0.00 H new ATOM 360 N ALA A 21 11.723 -11.701 4.426 1.00 0.00 N ATOM 361 CA ALA A 21 13.150 -11.436 4.440 1.00 0.00 C ATOM 362 C ALA A 21 13.494 -10.491 3.306 1.00 0.00 C ATOM 363 O ALA A 21 14.294 -9.567 3.471 1.00 0.00 O ATOM 364 CB ALA A 21 13.937 -12.741 4.275 1.00 0.00 C ATOM 0 H ALA A 21 11.474 -12.683 4.304 1.00 0.00 H new ATOM 0 HA ALA A 21 13.418 -10.983 5.395 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.005 -12.526 4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.694 -13.419 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.672 -13.208 3.326 1.00 0.00 H new ATOM 370 N ALA A 22 12.852 -10.699 2.164 1.00 0.00 N ATOM 371 CA ALA A 22 13.066 -9.849 1.003 1.00 0.00 C ATOM 372 C ALA A 22 12.678 -8.412 1.314 1.00 0.00 C ATOM 373 O ALA A 22 13.329 -7.473 0.855 1.00 0.00 O ATOM 374 CB ALA A 22 12.266 -10.360 -0.194 1.00 0.00 C ATOM 0 H ALA A 22 12.178 -11.451 2.018 1.00 0.00 H new ATOM 0 HA ALA A 22 14.126 -9.879 0.752 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.440 -9.710 -1.052 1.00 0.00 H new ATOM 0 HB2 ALA A 22 12.582 -11.374 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.204 -10.360 0.052 1.00 0.00 H new ATOM 380 N LEU A 23 11.628 -8.242 2.103 1.00 0.00 N ATOM 381 CA LEU A 23 11.171 -6.908 2.484 1.00 0.00 C ATOM 382 C LEU A 23 12.246 -6.193 3.280 1.00 0.00 C ATOM 383 O LEU A 23 12.454 -4.990 3.129 1.00 0.00 O ATOM 384 CB LEU A 23 9.872 -6.977 3.303 1.00 0.00 C ATOM 385 CG LEU A 23 8.710 -7.445 2.413 1.00 0.00 C ATOM 386 CD1 LEU A 23 7.476 -7.713 3.276 1.00 0.00 C ATOM 387 CD2 LEU A 23 8.368 -6.360 1.386 1.00 0.00 C ATOM 0 H LEU A 23 11.076 -9.006 2.492 1.00 0.00 H new ATOM 0 HA LEU A 23 10.968 -6.350 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.997 -7.663 4.141 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.646 -5.997 3.724 1.00 0.00 H new ATOM 0 HG LEU A 23 9.008 -8.358 1.897 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.654 -8.045 2.642 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.705 -8.488 4.008 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.189 -6.798 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.543 -6.699 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.077 -5.447 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.240 -6.161 0.763 1.00 0.00 H new ATOM 399 N LEU A 24 12.908 -6.935 4.142 1.00 0.00 N ATOM 400 CA LEU A 24 13.928 -6.381 5.016 1.00 0.00 C ATOM 401 C LEU A 24 15.262 -6.180 4.314 1.00 0.00 C ATOM 402 O LEU A 24 16.247 -5.796 4.948 1.00 0.00 O ATOM 403 CB LEU A 24 14.072 -7.213 6.294 1.00 0.00 C ATOM 404 CG LEU A 24 12.828 -6.987 7.167 1.00 0.00 C ATOM 405 CD1 LEU A 24 12.769 -7.999 8.300 1.00 0.00 C ATOM 406 CD2 LEU A 24 12.851 -5.578 7.762 1.00 0.00 C ATOM 0 H LEU A 24 12.757 -7.937 4.259 1.00 0.00 H new ATOM 0 HA LEU A 24 13.590 -5.385 5.303 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.175 -8.270 6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 24 14.972 -6.923 6.835 1.00 0.00 H new ATOM 0 HG LEU A 24 11.949 -7.108 6.534 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.880 -7.818 8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.728 -9.007 7.886 1.00 0.00 H new ATOM 0 HD13 LEU A 24 13.657 -7.899 8.924 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.965 -5.429 8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 24 13.744 -5.456 8.375 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.861 -4.843 6.957 1.00 0.00 H new ATOM 418 N GLU A 25 15.270 -6.323 2.990 1.00 0.00 N ATOM 419 CA GLU A 25 16.462 -6.000 2.212 1.00 0.00 C ATOM 420 C GLU A 25 16.690 -4.487 2.196 1.00 0.00 C ATOM 421 O GLU A 25 17.687 -3.995 1.652 1.00 0.00 O ATOM 422 CB GLU A 25 16.388 -6.563 0.793 1.00 0.00 C ATOM 423 CG GLU A 25 16.450 -8.095 0.864 1.00 0.00 C ATOM 424 CD GLU A 25 16.459 -8.714 -0.520 1.00 0.00 C ATOM 425 OE1 GLU A 25 16.385 -7.992 -1.487 1.00 0.00 O ATOM 426 OE2 GLU A 25 16.561 -9.913 -0.596 1.00 0.00 O ATOM 0 H GLU A 25 14.477 -6.655 2.441 1.00 0.00 H new ATOM 0 HA GLU A 25 17.315 -6.476 2.696 1.00 0.00 H new ATOM 0 HB2 GLU A 25 15.465 -6.245 0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 25 17.212 -6.180 0.192 1.00 0.00 H new ATOM 0 HG2 GLU A 25 17.345 -8.399 1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.594 -8.469 1.426 1.00 0.00 H new ATOM 433 N VAL A 26 15.811 -3.773 2.875 1.00 0.00 N ATOM 434 CA VAL A 26 15.943 -2.342 3.074 1.00 0.00 C ATOM 435 C VAL A 26 16.171 -2.101 4.557 1.00 0.00 C ATOM 436 O VAL A 26 15.968 -3.017 5.357 1.00 0.00 O ATOM 437 CB VAL A 26 14.675 -1.624 2.593 1.00 0.00 C ATOM 438 CG1 VAL A 26 14.518 -1.840 1.085 1.00 0.00 C ATOM 439 CG2 VAL A 26 13.439 -2.192 3.312 1.00 0.00 C ATOM 0 H VAL A 26 14.979 -4.174 3.307 1.00 0.00 H new ATOM 0 HA VAL A 26 16.782 -1.949 2.500 1.00 0.00 H new ATOM 0 HB VAL A 26 14.761 -0.560 2.815 1.00 0.00 H new ATOM 0 HG11 VAL A 26 13.619 -1.332 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 26 15.387 -1.435 0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 26 14.436 -2.907 0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 26 12.545 -1.675 2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 26 13.350 -3.257 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 26 13.545 -2.047 4.387 1.00 0.00 H new ATOM 449 N SER A 27 16.710 -0.945 4.922 1.00 0.00 N ATOM 450 CA SER A 27 17.094 -0.737 6.313 1.00 0.00 C ATOM 451 C SER A 27 16.028 -1.284 7.256 1.00 0.00 C ATOM 452 O SER A 27 14.893 -0.772 7.311 1.00 0.00 O ATOM 453 CB SER A 27 17.326 0.750 6.585 1.00 0.00 C ATOM 454 OG SER A 27 18.102 1.300 5.522 1.00 0.00 O ATOM 0 H SER A 27 16.887 -0.159 4.297 1.00 0.00 H new ATOM 0 HA SER A 27 18.024 -1.277 6.494 1.00 0.00 H new ATOM 0 HB2 SER A 27 16.372 1.272 6.664 1.00 0.00 H new ATOM 0 HB3 SER A 27 17.842 0.883 7.536 1.00 0.00 H new ATOM 0 HG SER A 27 18.254 2.254 5.688 1.00 0.00 H new ATOM 460 N ARG A 28 16.426 -2.277 8.041 1.00 0.00 N ATOM 461 CA ARG A 28 15.555 -2.897 9.016 1.00 0.00 C ATOM 462 C ARG A 28 15.208 -1.907 10.099 1.00 0.00 C ATOM 463 O ARG A 28 14.097 -1.908 10.625 1.00 0.00 O ATOM 464 CB ARG A 28 16.200 -4.156 9.608 1.00 0.00 C ATOM 465 CG ARG A 28 16.332 -5.212 8.505 1.00 0.00 C ATOM 466 CD ARG A 28 17.060 -6.451 9.034 1.00 0.00 C ATOM 467 NE ARG A 28 16.320 -7.061 10.137 1.00 0.00 N ATOM 468 CZ ARG A 28 16.747 -8.179 10.729 1.00 0.00 C ATOM 469 NH1 ARG A 28 17.795 -8.803 10.259 1.00 0.00 N ATOM 470 NH2 ARG A 28 16.109 -8.648 11.761 1.00 0.00 N ATOM 0 H ARG A 28 17.366 -2.672 8.015 1.00 0.00 H new ATOM 0 HA ARG A 28 14.636 -3.203 8.517 1.00 0.00 H new ATOM 0 HB2 ARG A 28 17.180 -3.918 10.022 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.593 -4.541 10.427 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.343 -5.492 8.141 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.878 -4.796 7.658 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.184 -7.176 8.229 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.059 -6.174 9.370 1.00 0.00 H new ATOM 0 HE ARG A 28 15.458 -6.623 10.462 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.284 -8.436 9.443 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.124 -9.657 10.709 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.285 -8.162 12.115 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.432 -9.502 12.216 1.00 0.00 H new ATOM 484 N GLN A 29 16.167 -1.046 10.418 1.00 0.00 N ATOM 485 CA GLN A 29 15.969 -0.025 11.436 1.00 0.00 C ATOM 486 C GLN A 29 14.600 0.618 11.283 1.00 0.00 C ATOM 487 O GLN A 29 13.984 1.026 12.265 1.00 0.00 O ATOM 488 CB GLN A 29 17.054 1.053 11.322 1.00 0.00 C ATOM 489 CG GLN A 29 18.415 0.474 11.721 1.00 0.00 C ATOM 490 CD GLN A 29 18.421 0.125 13.200 1.00 0.00 C ATOM 491 OE1 GLN A 29 18.348 -1.053 13.563 1.00 0.00 O ATOM 492 NE2 GLN A 29 18.507 1.072 14.077 1.00 0.00 N ATOM 0 H GLN A 29 17.090 -1.036 9.985 1.00 0.00 H new ATOM 0 HA GLN A 29 16.033 -0.500 12.415 1.00 0.00 H new ATOM 0 HB2 GLN A 29 17.096 1.431 10.301 1.00 0.00 H new ATOM 0 HB3 GLN A 29 16.807 1.898 11.965 1.00 0.00 H new ATOM 0 HG2 GLN A 29 18.628 -0.416 11.129 1.00 0.00 H new ATOM 0 HG3 GLN A 29 19.203 1.196 11.507 1.00 0.00 H new ATOM 0 HE21 GLN A 29 18.567 2.044 13.774 1.00 0.00 H new ATOM 0 HE22 GLN A 29 18.515 0.847 15.072 1.00 0.00 H new ATOM 501 N THR A 30 14.133 0.711 10.049 1.00 0.00 N ATOM 502 CA THR A 30 12.848 1.319 9.781 1.00 0.00 C ATOM 503 C THR A 30 11.744 0.509 10.477 1.00 0.00 C ATOM 504 O THR A 30 10.968 1.043 11.269 1.00 0.00 O ATOM 505 CB THR A 30 12.606 1.310 8.262 1.00 0.00 C ATOM 506 OG1 THR A 30 13.825 1.625 7.593 1.00 0.00 O ATOM 507 CG2 THR A 30 11.549 2.364 7.899 1.00 0.00 C ATOM 0 H THR A 30 14.625 0.373 9.222 1.00 0.00 H new ATOM 0 HA THR A 30 12.835 2.342 10.156 1.00 0.00 H new ATOM 0 HB THR A 30 12.256 0.324 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.146 0.836 7.109 1.00 0.00 H new ATOM 0 HG21 THR A 30 11.380 2.354 6.822 1.00 0.00 H new ATOM 0 HG22 THR A 30 10.616 2.136 8.414 1.00 0.00 H new ATOM 0 HG23 THR A 30 11.900 3.350 8.203 1.00 0.00 H new ATOM 515 N ILE A 31 11.753 -0.802 10.246 1.00 0.00 N ATOM 516 CA ILE A 31 10.804 -1.715 10.876 1.00 0.00 C ATOM 517 C ILE A 31 11.244 -2.086 12.288 1.00 0.00 C ATOM 518 O ILE A 31 10.449 -2.590 13.083 1.00 0.00 O ATOM 519 CB ILE A 31 10.605 -2.977 10.018 1.00 0.00 C ATOM 520 CG1 ILE A 31 9.448 -3.816 10.577 1.00 0.00 C ATOM 521 CG2 ILE A 31 11.885 -3.821 10.013 1.00 0.00 C ATOM 522 CD1 ILE A 31 9.111 -4.945 9.600 1.00 0.00 C ATOM 0 H ILE A 31 12.416 -1.259 9.620 1.00 0.00 H new ATOM 0 HA ILE A 31 9.848 -1.197 10.951 1.00 0.00 H new ATOM 0 HB ILE A 31 10.372 -2.669 8.999 1.00 0.00 H new ATOM 0 HG12 ILE A 31 9.722 -4.231 11.547 1.00 0.00 H new ATOM 0 HG13 ILE A 31 8.573 -3.186 10.736 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.732 -4.711 9.403 1.00 0.00 H new ATOM 0 HG22 ILE A 31 12.706 -3.235 9.600 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.129 -4.118 11.033 1.00 0.00 H new ATOM 0 HD11 ILE A 31 8.289 -5.539 10.000 1.00 0.00 H new ATOM 0 HD12 ILE A 31 8.818 -4.520 8.640 1.00 0.00 H new ATOM 0 HD13 ILE A 31 9.985 -5.581 9.464 1.00 0.00 H new ATOM 534 N ASN A 32 12.543 -1.967 12.540 1.00 0.00 N ATOM 535 CA ASN A 32 13.140 -2.452 13.786 1.00 0.00 C ATOM 536 C ASN A 32 12.255 -2.173 14.990 1.00 0.00 C ATOM 537 O ASN A 32 12.264 -2.933 15.962 1.00 0.00 O ATOM 538 CB ASN A 32 14.528 -1.847 14.006 1.00 0.00 C ATOM 539 CG ASN A 32 14.975 -2.110 15.437 1.00 0.00 C ATOM 540 OD1 ASN A 32 15.039 -1.187 16.246 1.00 0.00 O ATOM 541 ND2 ASN A 32 15.286 -3.311 15.802 1.00 0.00 N ATOM 0 H ASN A 32 13.208 -1.537 11.897 1.00 0.00 H new ATOM 0 HA ASN A 32 13.238 -3.533 13.685 1.00 0.00 H new ATOM 0 HB2 ASN A 32 15.241 -2.281 13.305 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.504 -0.775 13.812 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.584 -3.492 16.761 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.233 -4.078 15.131 1.00 0.00 H new ATOM 548 N GLY A 33 11.440 -1.141 14.888 1.00 0.00 N ATOM 549 CA GLY A 33 10.496 -0.806 15.940 1.00 0.00 C ATOM 550 C GLY A 33 9.709 -2.033 16.389 1.00 0.00 C ATOM 551 O GLY A 33 9.249 -2.089 17.524 1.00 0.00 O ATOM 0 H GLY A 33 11.412 -0.516 14.083 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.031 -0.383 16.790 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.807 -0.040 15.583 1.00 0.00 H new ATOM 555 N ILE A 34 9.613 -3.051 15.521 1.00 0.00 N ATOM 556 CA ILE A 34 8.914 -4.293 15.868 1.00 0.00 C ATOM 557 C ILE A 34 9.294 -4.800 17.242 1.00 0.00 C ATOM 558 O ILE A 34 8.559 -5.590 17.832 1.00 0.00 O ATOM 559 CB ILE A 34 9.128 -5.393 14.819 1.00 0.00 C ATOM 560 CG1 ILE A 34 10.623 -5.601 14.566 1.00 0.00 C ATOM 561 CG2 ILE A 34 8.416 -5.028 13.515 1.00 0.00 C ATOM 562 CD1 ILE A 34 10.823 -6.789 13.622 1.00 0.00 C ATOM 0 H ILE A 34 10.008 -3.038 14.581 1.00 0.00 H new ATOM 0 HA ILE A 34 7.853 -4.042 15.883 1.00 0.00 H new ATOM 0 HB ILE A 34 8.706 -6.323 15.199 1.00 0.00 H new ATOM 0 HG12 ILE A 34 11.057 -4.701 14.131 1.00 0.00 H new ATOM 0 HG13 ILE A 34 11.140 -5.781 15.508 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.576 -5.817 12.780 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.348 -4.918 13.702 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.816 -4.089 13.133 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.888 -6.936 13.443 1.00 0.00 H new ATOM 0 HD12 ILE A 34 10.404 -7.688 14.074 1.00 0.00 H new ATOM 0 HD13 ILE A 34 10.320 -6.591 12.676 1.00 0.00 H new ATOM 574 N GLU A 35 10.428 -4.372 17.770 1.00 0.00 N ATOM 575 CA GLU A 35 10.775 -4.822 19.099 1.00 0.00 C ATOM 576 C GLU A 35 9.661 -4.402 20.055 1.00 0.00 C ATOM 577 O GLU A 35 9.061 -5.249 20.724 1.00 0.00 O ATOM 578 CB GLU A 35 12.119 -4.235 19.545 1.00 0.00 C ATOM 579 CG GLU A 35 13.246 -4.819 18.680 1.00 0.00 C ATOM 580 CD GLU A 35 14.587 -4.275 19.120 1.00 0.00 C ATOM 581 OE1 GLU A 35 15.002 -4.606 20.207 1.00 0.00 O ATOM 582 OE2 GLU A 35 15.182 -3.538 18.371 1.00 0.00 O ATOM 0 H GLU A 35 11.094 -3.743 17.322 1.00 0.00 H new ATOM 0 HA GLU A 35 10.879 -5.907 19.102 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.102 -3.149 19.454 1.00 0.00 H new ATOM 0 HB3 GLU A 35 12.297 -4.464 20.596 1.00 0.00 H new ATOM 0 HG2 GLU A 35 13.245 -5.906 18.757 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.073 -4.573 17.632 1.00 0.00 H new ATOM 589 N LYS A 36 9.261 -3.134 19.968 1.00 0.00 N ATOM 590 CA LYS A 36 8.068 -2.643 20.673 1.00 0.00 C ATOM 591 C LYS A 36 6.854 -2.541 19.734 1.00 0.00 C ATOM 592 O LYS A 36 5.730 -2.310 20.182 1.00 0.00 O ATOM 593 CB LYS A 36 8.352 -1.273 21.287 1.00 0.00 C ATOM 594 CG LYS A 36 9.295 -1.417 22.485 1.00 0.00 C ATOM 595 CD LYS A 36 9.630 -0.023 23.044 1.00 0.00 C ATOM 596 CE LYS A 36 8.424 0.570 23.806 1.00 0.00 C ATOM 597 NZ LYS A 36 7.510 -0.515 24.271 1.00 0.00 N ATOM 0 H LYS A 36 9.743 -2.424 19.417 1.00 0.00 H new ATOM 0 HA LYS A 36 7.831 -3.361 21.458 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.799 -0.617 20.540 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.419 -0.807 21.603 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.828 -2.028 23.258 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.209 -1.929 22.183 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.489 -0.091 23.711 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.912 0.642 22.228 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.776 1.148 24.661 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.880 1.258 23.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.791 -0.115 24.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 7.042 -0.950 23.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.059 -1.237 24.780 1.00 0.00 H new ATOM 611 N ASN A 37 7.128 -2.529 18.439 1.00 0.00 N ATOM 612 CA ASN A 37 6.120 -2.247 17.407 1.00 0.00 C ATOM 613 C ASN A 37 5.443 -3.480 16.826 1.00 0.00 C ATOM 614 O ASN A 37 5.029 -3.445 15.681 1.00 0.00 O ATOM 615 CB ASN A 37 6.676 -1.362 16.280 1.00 0.00 C ATOM 616 CG ASN A 37 5.539 -0.549 15.660 1.00 0.00 C ATOM 617 OD1 ASN A 37 5.506 0.680 15.790 1.00 0.00 O ATOM 618 ND2 ASN A 37 4.593 -1.157 15.011 1.00 0.00 N ATOM 0 H ASN A 37 8.058 -2.715 18.064 1.00 0.00 H new ATOM 0 HA ASN A 37 5.343 -1.698 17.939 1.00 0.00 H new ATOM 0 HB2 ASN A 37 7.443 -0.694 16.673 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.152 -1.981 15.519 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.824 -0.621 14.609 1.00 0.00 H new ATOM 0 HD22 ASN A 37 4.619 -2.171 14.903 1.00 0.00 H new ATOM 625 N LYS A 38 5.503 -4.612 17.508 1.00 0.00 N ATOM 626 CA LYS A 38 4.979 -5.855 16.916 1.00 0.00 C ATOM 627 C LYS A 38 3.626 -5.660 16.230 1.00 0.00 C ATOM 628 O LYS A 38 3.332 -6.343 15.243 1.00 0.00 O ATOM 629 CB LYS A 38 4.915 -6.997 17.926 1.00 0.00 C ATOM 630 CG LYS A 38 6.335 -7.399 18.322 1.00 0.00 C ATOM 631 CD LYS A 38 7.101 -7.886 17.084 1.00 0.00 C ATOM 632 CE LYS A 38 8.340 -8.663 17.527 1.00 0.00 C ATOM 633 NZ LYS A 38 9.077 -7.856 18.531 1.00 0.00 N ATOM 0 H LYS A 38 5.895 -4.708 18.445 1.00 0.00 H new ATOM 0 HA LYS A 38 5.696 -6.135 16.144 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.353 -6.688 18.807 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.390 -7.850 17.496 1.00 0.00 H new ATOM 0 HG2 LYS A 38 6.852 -6.550 18.770 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.303 -8.187 19.075 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.460 -8.521 16.472 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.392 -7.037 16.466 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.051 -9.623 17.954 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.979 -8.875 16.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 10.065 -8.178 18.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 9.052 -6.853 18.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.631 -7.970 19.464 1.00 0.00 H new ATOM 647 N TYR A 39 2.840 -4.696 16.693 1.00 0.00 N ATOM 648 CA TYR A 39 1.581 -4.380 16.020 1.00 0.00 C ATOM 649 C TYR A 39 1.883 -3.842 14.621 1.00 0.00 C ATOM 650 O TYR A 39 3.051 -3.740 14.239 1.00 0.00 O ATOM 651 CB TYR A 39 0.735 -3.394 16.862 1.00 0.00 C ATOM 652 CG TYR A 39 0.831 -1.978 16.332 1.00 0.00 C ATOM 653 CD1 TYR A 39 2.001 -1.235 16.517 1.00 0.00 C ATOM 654 CD2 TYR A 39 -0.259 -1.408 15.662 1.00 0.00 C ATOM 655 CE1 TYR A 39 2.080 0.073 16.029 1.00 0.00 C ATOM 656 CE2 TYR A 39 -0.179 -0.100 15.177 1.00 0.00 C ATOM 657 CZ TYR A 39 0.993 0.639 15.360 1.00 0.00 C ATOM 658 OH TYR A 39 1.075 1.926 14.876 1.00 0.00 O ATOM 0 H TYR A 39 3.044 -4.128 17.515 1.00 0.00 H new ATOM 0 HA TYR A 39 0.982 -5.284 15.916 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -0.307 -3.714 16.858 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.072 -3.418 17.898 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.842 -1.671 17.036 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -1.163 -1.981 15.520 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.984 0.647 16.170 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.021 0.339 14.662 1.00 0.00 H new ATOM 0 HH TYR A 39 0.232 2.165 14.436 1.00 0.00 H new ATOM 668 N ASN A 40 0.868 -3.565 13.821 1.00 0.00 N ATOM 669 CA ASN A 40 1.148 -3.137 12.453 1.00 0.00 C ATOM 670 C ASN A 40 1.930 -1.836 12.449 1.00 0.00 C ATOM 671 O ASN A 40 1.607 -0.910 13.178 1.00 0.00 O ATOM 672 CB ASN A 40 -0.117 -2.991 11.608 1.00 0.00 C ATOM 673 CG ASN A 40 0.271 -2.976 10.131 1.00 0.00 C ATOM 674 OD1 ASN A 40 0.942 -3.904 9.649 1.00 0.00 O ATOM 675 ND2 ASN A 40 -0.091 -1.990 9.375 1.00 0.00 N ATOM 0 H ASN A 40 -0.118 -3.623 14.075 1.00 0.00 H new ATOM 0 HA ASN A 40 1.750 -3.924 11.998 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.801 -3.815 11.809 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.640 -2.071 11.869 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.175 -1.978 8.390 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.642 -1.225 9.764 1.00 0.00 H new ATOM 682 N PRO A 41 2.980 -1.763 11.675 1.00 0.00 N ATOM 683 CA PRO A 41 3.827 -0.538 11.662 1.00 0.00 C ATOM 684 C PRO A 41 3.024 0.683 11.251 1.00 0.00 C ATOM 685 O PRO A 41 2.063 0.582 10.470 1.00 0.00 O ATOM 686 CB PRO A 41 4.913 -0.842 10.621 1.00 0.00 C ATOM 687 CG PRO A 41 4.916 -2.326 10.499 1.00 0.00 C ATOM 688 CD PRO A 41 3.465 -2.736 10.676 1.00 0.00 C ATOM 0 HA PRO A 41 4.236 -0.311 12.647 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.690 -0.367 9.666 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.885 -0.469 10.943 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.300 -2.642 9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 41 5.551 -2.783 11.258 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.908 -2.671 9.742 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.373 -3.763 11.031 1.00 0.00 H new ATOM 696 N SER A 42 3.418 1.831 11.769 1.00 0.00 N ATOM 697 CA SER A 42 2.763 3.073 11.430 1.00 0.00 C ATOM 698 C SER A 42 2.800 3.257 9.915 1.00 0.00 C ATOM 699 O SER A 42 3.587 2.595 9.228 1.00 0.00 O ATOM 700 CB SER A 42 3.452 4.229 12.144 1.00 0.00 C ATOM 701 OG SER A 42 3.712 3.843 13.508 1.00 0.00 O ATOM 0 H SER A 42 4.191 1.926 12.428 1.00 0.00 H new ATOM 0 HA SER A 42 1.722 3.051 11.753 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.384 4.483 11.639 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.823 5.118 12.117 1.00 0.00 H new ATOM 0 HG SER A 42 4.157 4.579 13.977 1.00 0.00 H new ATOM 707 N LEU A 43 1.879 4.044 9.386 1.00 0.00 N ATOM 708 CA LEU A 43 1.696 4.114 7.939 1.00 0.00 C ATOM 709 C LEU A 43 2.970 4.540 7.231 1.00 0.00 C ATOM 710 O LEU A 43 3.358 3.928 6.240 1.00 0.00 O ATOM 711 CB LEU A 43 0.543 5.065 7.573 1.00 0.00 C ATOM 712 CG LEU A 43 -0.822 4.347 7.683 1.00 0.00 C ATOM 713 CD1 LEU A 43 -1.031 3.423 6.480 1.00 0.00 C ATOM 714 CD2 LEU A 43 -0.899 3.525 8.976 1.00 0.00 C ATOM 0 H LEU A 43 1.251 4.639 9.926 1.00 0.00 H new ATOM 0 HA LEU A 43 1.442 3.110 7.600 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.557 5.931 8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.682 5.437 6.558 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.604 5.106 7.699 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.995 2.923 6.569 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.010 4.010 5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.237 2.677 6.452 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.867 3.028 9.034 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.106 2.777 8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.778 4.185 9.835 1.00 0.00 H new ATOM 726 N GLN A 44 3.674 5.508 7.782 1.00 0.00 N ATOM 727 CA GLN A 44 4.941 5.912 7.191 1.00 0.00 C ATOM 728 C GLN A 44 5.917 4.737 7.192 1.00 0.00 C ATOM 729 O GLN A 44 6.539 4.431 6.174 1.00 0.00 O ATOM 730 CB GLN A 44 5.549 7.134 7.912 1.00 0.00 C ATOM 731 CG GLN A 44 5.646 6.892 9.428 1.00 0.00 C ATOM 732 CD GLN A 44 4.284 7.062 10.081 1.00 0.00 C ATOM 733 OE1 GLN A 44 3.498 6.127 10.117 1.00 0.00 O ATOM 734 NE2 GLN A 44 3.951 8.198 10.592 1.00 0.00 N ATOM 0 H GLN A 44 3.402 6.022 8.620 1.00 0.00 H new ATOM 0 HA GLN A 44 4.750 6.213 6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 44 6.541 7.341 7.510 1.00 0.00 H new ATOM 0 HB3 GLN A 44 4.937 8.015 7.720 1.00 0.00 H new ATOM 0 HG2 GLN A 44 6.025 5.888 9.619 1.00 0.00 H new ATOM 0 HG3 GLN A 44 6.357 7.590 9.869 1.00 0.00 H new ATOM 0 HE21 GLN A 44 4.604 8.981 10.564 1.00 0.00 H new ATOM 0 HE22 GLN A 44 3.034 8.314 11.024 1.00 0.00 H new ATOM 743 N LEU A 45 5.990 4.034 8.317 1.00 0.00 N ATOM 744 CA LEU A 45 6.818 2.838 8.415 1.00 0.00 C ATOM 745 C LEU A 45 6.289 1.778 7.462 1.00 0.00 C ATOM 746 O LEU A 45 7.042 1.156 6.707 1.00 0.00 O ATOM 747 CB LEU A 45 6.784 2.298 9.854 1.00 0.00 C ATOM 748 CG LEU A 45 7.988 1.375 10.118 1.00 0.00 C ATOM 749 CD1 LEU A 45 8.155 1.173 11.625 1.00 0.00 C ATOM 750 CD2 LEU A 45 7.786 0.014 9.433 1.00 0.00 C ATOM 0 H LEU A 45 5.487 4.271 9.172 1.00 0.00 H new ATOM 0 HA LEU A 45 7.845 3.088 8.150 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.795 3.129 10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.856 1.750 10.020 1.00 0.00 H new ATOM 0 HG LEU A 45 8.884 1.841 9.708 1.00 0.00 H new ATOM 0 HD11 LEU A 45 9.007 0.520 11.812 1.00 0.00 H new ATOM 0 HD12 LEU A 45 8.324 2.137 12.105 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.253 0.718 12.033 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.647 -0.624 9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.886 -0.460 9.824 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.682 0.160 8.358 1.00 0.00 H new ATOM 762 N ALA A 46 4.974 1.595 7.494 1.00 0.00 N ATOM 763 CA ALA A 46 4.300 0.621 6.653 1.00 0.00 C ATOM 764 C ALA A 46 4.438 0.978 5.190 1.00 0.00 C ATOM 765 O ALA A 46 4.352 0.113 4.329 1.00 0.00 O ATOM 766 CB ALA A 46 2.819 0.518 7.027 1.00 0.00 C ATOM 0 H ALA A 46 4.348 2.119 8.105 1.00 0.00 H new ATOM 0 HA ALA A 46 4.775 -0.346 6.819 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.332 -0.217 6.386 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.727 0.208 8.068 1.00 0.00 H new ATOM 0 HB3 ALA A 46 2.342 1.489 6.894 1.00 0.00 H new ATOM 772 N LEU A 47 4.577 2.260 4.913 1.00 0.00 N ATOM 773 CA LEU A 47 4.606 2.738 3.541 1.00 0.00 C ATOM 774 C LEU A 47 5.778 2.122 2.801 1.00 0.00 C ATOM 775 O LEU A 47 5.632 1.647 1.673 1.00 0.00 O ATOM 776 CB LEU A 47 4.710 4.271 3.510 1.00 0.00 C ATOM 777 CG LEU A 47 4.658 4.774 2.059 1.00 0.00 C ATOM 778 CD1 LEU A 47 3.320 4.372 1.420 1.00 0.00 C ATOM 779 CD2 LEU A 47 4.798 6.299 2.034 1.00 0.00 C ATOM 0 H LEU A 47 4.672 2.991 5.618 1.00 0.00 H new ATOM 0 HA LEU A 47 3.680 2.442 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.895 4.710 4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.640 4.590 3.981 1.00 0.00 H new ATOM 0 HG LEU A 47 5.478 4.327 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.286 4.730 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.224 3.286 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.499 4.814 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.761 6.651 1.003 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.983 6.749 2.601 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.751 6.584 2.480 1.00 0.00 H new ATOM 791 N LYS A 48 6.932 2.067 3.458 1.00 0.00 N ATOM 792 CA LYS A 48 8.087 1.429 2.845 1.00 0.00 C ATOM 793 C LYS A 48 7.805 -0.042 2.606 1.00 0.00 C ATOM 794 O LYS A 48 8.001 -0.542 1.495 1.00 0.00 O ATOM 795 CB LYS A 48 9.343 1.596 3.714 1.00 0.00 C ATOM 796 CG LYS A 48 9.797 3.066 3.730 1.00 0.00 C ATOM 797 CD LYS A 48 10.268 3.484 2.326 1.00 0.00 C ATOM 798 CE LYS A 48 10.761 4.941 2.347 1.00 0.00 C ATOM 799 NZ LYS A 48 11.227 5.320 0.991 1.00 0.00 N ATOM 0 H LYS A 48 7.090 2.447 4.392 1.00 0.00 H new ATOM 0 HA LYS A 48 8.274 1.917 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.136 1.262 4.731 1.00 0.00 H new ATOM 0 HB3 LYS A 48 10.145 0.966 3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.976 3.706 4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.606 3.198 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.069 2.825 1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.450 3.379 1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.957 5.604 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.572 5.052 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.561 6.305 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.006 4.693 0.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.441 5.228 0.316 1.00 0.00 H new ATOM 813 N ILE A 49 7.222 -0.701 3.595 1.00 0.00 N ATOM 814 CA ILE A 49 6.805 -2.074 3.402 1.00 0.00 C ATOM 815 C ILE A 49 5.725 -2.145 2.336 1.00 0.00 C ATOM 816 O ILE A 49 5.789 -2.978 1.455 1.00 0.00 O ATOM 817 CB ILE A 49 6.362 -2.749 4.718 1.00 0.00 C ATOM 818 CG1 ILE A 49 7.584 -2.928 5.635 1.00 0.00 C ATOM 819 CG2 ILE A 49 5.746 -4.126 4.427 1.00 0.00 C ATOM 820 CD1 ILE A 49 7.148 -3.507 6.986 1.00 0.00 C ATOM 0 H ILE A 49 7.031 -0.315 4.520 1.00 0.00 H new ATOM 0 HA ILE A 49 7.670 -2.640 3.056 1.00 0.00 H new ATOM 0 HB ILE A 49 5.618 -2.119 5.206 1.00 0.00 H new ATOM 0 HG12 ILE A 49 8.309 -3.591 5.163 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.080 -1.969 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.438 -4.592 5.363 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.878 -4.007 3.778 1.00 0.00 H new ATOM 0 HG23 ILE A 49 6.484 -4.758 3.933 1.00 0.00 H new ATOM 0 HD11 ILE A 49 8.020 -3.630 7.628 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.440 -2.828 7.462 1.00 0.00 H new ATOM 0 HD13 ILE A 49 6.673 -4.476 6.830 1.00 0.00 H new ATOM 832 N ALA A 50 4.768 -1.232 2.395 1.00 0.00 N ATOM 833 CA ALA A 50 3.694 -1.196 1.409 1.00 0.00 C ATOM 834 C ALA A 50 4.267 -1.120 0.004 1.00 0.00 C ATOM 835 O ALA A 50 3.816 -1.822 -0.901 1.00 0.00 O ATOM 836 CB ALA A 50 2.765 -0.003 1.659 1.00 0.00 C ATOM 0 H ALA A 50 4.711 -0.508 3.111 1.00 0.00 H new ATOM 0 HA ALA A 50 3.114 -2.114 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.972 0.003 0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.326 -0.086 2.653 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.336 0.923 1.590 1.00 0.00 H new ATOM 842 N TYR A 51 5.246 -0.253 -0.196 1.00 0.00 N ATOM 843 CA TYR A 51 5.873 -0.170 -1.500 1.00 0.00 C ATOM 844 C TYR A 51 6.724 -1.389 -1.792 1.00 0.00 C ATOM 845 O TYR A 51 6.582 -2.004 -2.850 1.00 0.00 O ATOM 846 CB TYR A 51 6.670 1.124 -1.682 1.00 0.00 C ATOM 847 CG TYR A 51 5.711 2.220 -2.079 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.129 2.205 -3.353 1.00 0.00 C ATOM 849 CD2 TYR A 51 5.395 3.239 -1.182 1.00 0.00 C ATOM 850 CE1 TYR A 51 4.231 3.201 -3.726 1.00 0.00 C ATOM 851 CE2 TYR A 51 4.491 4.242 -1.558 1.00 0.00 C ATOM 852 CZ TYR A 51 3.911 4.220 -2.830 1.00 0.00 C ATOM 853 OH TYR A 51 3.016 5.203 -3.201 1.00 0.00 O ATOM 0 H TYR A 51 5.615 0.386 0.508 1.00 0.00 H new ATOM 0 HA TYR A 51 5.065 -0.150 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.184 1.386 -0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.436 0.994 -2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.378 1.417 -4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.845 3.256 -0.200 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.783 3.184 -4.708 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.242 5.032 -0.865 1.00 0.00 H new ATOM 0 HH TYR A 51 2.901 5.837 -2.462 1.00 0.00 H new ATOM 863 N TYR A 52 7.572 -1.784 -0.842 1.00 0.00 N ATOM 864 CA TYR A 52 8.393 -2.977 -1.044 1.00 0.00 C ATOM 865 C TYR A 52 7.529 -4.223 -1.155 1.00 0.00 C ATOM 866 O TYR A 52 7.567 -4.923 -2.175 1.00 0.00 O ATOM 867 CB TYR A 52 9.455 -3.127 0.046 1.00 0.00 C ATOM 868 CG TYR A 52 10.532 -2.084 -0.176 1.00 0.00 C ATOM 869 CD1 TYR A 52 11.290 -2.105 -1.356 1.00 0.00 C ATOM 870 CD2 TYR A 52 10.772 -1.101 0.788 1.00 0.00 C ATOM 871 CE1 TYR A 52 12.280 -1.147 -1.568 1.00 0.00 C ATOM 872 CE2 TYR A 52 11.765 -0.140 0.574 1.00 0.00 C ATOM 873 CZ TYR A 52 12.519 -0.166 -0.605 1.00 0.00 C ATOM 874 OH TYR A 52 13.495 0.777 -0.813 1.00 0.00 O ATOM 0 H TYR A 52 7.707 -1.310 0.051 1.00 0.00 H new ATOM 0 HA TYR A 52 8.922 -2.853 -1.989 1.00 0.00 H new ATOM 0 HB2 TYR A 52 9.005 -3.002 1.031 1.00 0.00 H new ATOM 0 HB3 TYR A 52 9.887 -4.127 0.018 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.106 -2.865 -2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 52 10.191 -1.084 1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.862 -1.164 -2.478 1.00 0.00 H new ATOM 0 HE2 TYR A 52 11.950 0.621 1.317 1.00 0.00 H new ATOM 0 HH TYR A 52 13.530 1.386 -0.046 1.00 0.00 H new ATOM 884 N LEU A 53 6.591 -4.353 -0.242 1.00 0.00 N ATOM 885 CA LEU A 53 5.561 -5.364 -0.354 1.00 0.00 C ATOM 886 C LEU A 53 4.435 -4.748 -1.133 1.00 0.00 C ATOM 887 O LEU A 53 3.472 -4.253 -0.554 1.00 0.00 O ATOM 888 CB LEU A 53 5.031 -5.765 1.035 1.00 0.00 C ATOM 889 CG LEU A 53 3.911 -6.797 0.866 1.00 0.00 C ATOM 890 CD1 LEU A 53 4.481 -8.161 0.465 1.00 0.00 C ATOM 891 CD2 LEU A 53 3.094 -6.919 2.147 1.00 0.00 C ATOM 0 H LEU A 53 6.520 -3.768 0.591 1.00 0.00 H new ATOM 0 HA LEU A 53 5.963 -6.254 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.837 -6.181 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.657 -4.887 1.562 1.00 0.00 H new ATOM 0 HG LEU A 53 3.254 -6.453 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.667 -8.876 0.351 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.017 -8.068 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.166 -8.511 1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.304 -7.657 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.743 -7.234 2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.650 -5.953 2.389 1.00 0.00 H new ATOM 903 N ASN A 54 4.625 -4.660 -2.431 1.00 0.00 N ATOM 904 CA ASN A 54 3.708 -3.928 -3.283 1.00 0.00 C ATOM 905 C ASN A 54 2.246 -4.190 -2.928 1.00 0.00 C ATOM 906 O ASN A 54 1.613 -5.105 -3.479 1.00 0.00 O ATOM 907 CB ASN A 54 3.954 -4.250 -4.757 1.00 0.00 C ATOM 908 CG ASN A 54 2.978 -3.470 -5.615 1.00 0.00 C ATOM 909 OD1 ASN A 54 3.367 -2.521 -6.297 1.00 0.00 O ATOM 910 ND2 ASN A 54 1.726 -3.794 -5.609 1.00 0.00 N ATOM 0 H ASN A 54 5.409 -5.088 -2.923 1.00 0.00 H new ATOM 0 HA ASN A 54 3.904 -2.870 -3.111 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.978 -3.995 -5.030 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.834 -5.319 -4.932 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.059 -3.263 -6.170 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.405 -4.580 -5.044 1.00 0.00 H new ATOM 917 N THR A 55 1.698 -3.324 -2.095 1.00 0.00 N ATOM 918 CA THR A 55 0.289 -3.366 -1.758 1.00 0.00 C ATOM 919 C THR A 55 -0.194 -1.955 -1.420 1.00 0.00 C ATOM 920 O THR A 55 0.231 -1.367 -0.431 1.00 0.00 O ATOM 921 CB THR A 55 0.044 -4.322 -0.576 1.00 0.00 C ATOM 922 OG1 THR A 55 1.211 -5.113 -0.347 1.00 0.00 O ATOM 923 CG2 THR A 55 -1.130 -5.252 -0.906 1.00 0.00 C ATOM 0 H THR A 55 2.216 -2.575 -1.635 1.00 0.00 H new ATOM 0 HA THR A 55 -0.273 -3.740 -2.613 1.00 0.00 H new ATOM 0 HB THR A 55 -0.184 -3.738 0.315 1.00 0.00 H new ATOM 0 HG1 THR A 55 1.925 -4.546 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.304 -5.929 -0.070 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.026 -4.658 -1.084 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.895 -5.831 -1.799 1.00 0.00 H new ATOM 931 N PRO A 56 -1.023 -1.382 -2.258 1.00 0.00 N ATOM 932 CA PRO A 56 -1.506 0.007 -2.048 1.00 0.00 C ATOM 933 C PRO A 56 -2.524 0.097 -0.911 1.00 0.00 C ATOM 934 O PRO A 56 -3.358 -0.804 -0.730 1.00 0.00 O ATOM 935 CB PRO A 56 -2.146 0.362 -3.389 1.00 0.00 C ATOM 936 CG PRO A 56 -2.660 -0.933 -3.910 1.00 0.00 C ATOM 937 CD PRO A 56 -1.685 -2.011 -3.422 1.00 0.00 C ATOM 0 HA PRO A 56 -0.705 0.686 -1.757 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -2.950 1.088 -3.266 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.420 0.804 -4.071 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.668 -1.126 -3.544 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -2.713 -0.921 -4.999 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -2.207 -2.925 -3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.965 -2.280 -4.195 1.00 0.00 H new ATOM 945 N LEU A 57 -2.561 1.248 -0.262 1.00 0.00 N ATOM 946 CA LEU A 57 -3.557 1.519 0.759 1.00 0.00 C ATOM 947 C LEU A 57 -4.940 1.482 0.128 1.00 0.00 C ATOM 948 O LEU A 57 -5.929 1.124 0.764 1.00 0.00 O ATOM 949 CB LEU A 57 -3.309 2.886 1.412 1.00 0.00 C ATOM 950 CG LEU A 57 -1.987 2.850 2.198 1.00 0.00 C ATOM 951 CD1 LEU A 57 -1.656 4.246 2.724 1.00 0.00 C ATOM 952 CD2 LEU A 57 -2.110 1.883 3.382 1.00 0.00 C ATOM 0 H LEU A 57 -1.908 2.014 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.488 0.757 1.536 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.269 3.663 0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -4.134 3.137 2.079 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.192 2.513 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.719 4.213 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.557 4.936 1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.456 4.586 3.382 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.170 1.862 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.911 2.216 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.336 0.883 3.013 1.00 0.00 H new ATOM 964 N GLU A 58 -5.003 1.873 -1.128 1.00 0.00 N ATOM 965 CA GLU A 58 -6.258 1.884 -1.847 1.00 0.00 C ATOM 966 C GLU A 58 -6.820 0.467 -1.988 1.00 0.00 C ATOM 967 O GLU A 58 -8.027 0.270 -1.882 1.00 0.00 O ATOM 968 CB GLU A 58 -6.091 2.542 -3.219 1.00 0.00 C ATOM 969 CG GLU A 58 -5.817 4.041 -3.036 1.00 0.00 C ATOM 970 CD GLU A 58 -5.647 4.713 -4.385 1.00 0.00 C ATOM 971 OE1 GLU A 58 -4.930 4.183 -5.205 1.00 0.00 O ATOM 972 OE2 GLU A 58 -6.244 5.748 -4.584 1.00 0.00 O ATOM 0 H GLU A 58 -4.199 2.187 -1.671 1.00 0.00 H new ATOM 0 HA GLU A 58 -6.972 2.473 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.269 2.074 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.991 2.396 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -6.640 4.504 -2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.918 4.183 -2.435 1.00 0.00 H new ATOM 979 N ASP A 59 -5.947 -0.525 -2.211 1.00 0.00 N ATOM 980 CA ASP A 59 -6.416 -1.918 -2.325 1.00 0.00 C ATOM 981 C ASP A 59 -7.074 -2.356 -1.028 1.00 0.00 C ATOM 982 O ASP A 59 -8.197 -2.869 -1.029 1.00 0.00 O ATOM 983 CB ASP A 59 -5.262 -2.874 -2.668 1.00 0.00 C ATOM 984 CG ASP A 59 -5.769 -4.303 -2.748 1.00 0.00 C ATOM 985 OD1 ASP A 59 -6.552 -4.581 -3.625 1.00 0.00 O ATOM 986 OD2 ASP A 59 -5.359 -5.109 -1.937 1.00 0.00 O ATOM 0 H ASP A 59 -4.940 -0.399 -2.314 1.00 0.00 H new ATOM 0 HA ASP A 59 -7.144 -1.958 -3.136 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.813 -2.586 -3.618 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.481 -2.799 -1.911 1.00 0.00 H new ATOM 991 N ILE A 60 -6.413 -2.063 0.085 1.00 0.00 N ATOM 992 CA ILE A 60 -6.984 -2.339 1.394 1.00 0.00 C ATOM 993 C ILE A 60 -8.200 -1.447 1.637 1.00 0.00 C ATOM 994 O ILE A 60 -9.083 -1.783 2.429 1.00 0.00 O ATOM 995 CB ILE A 60 -5.923 -2.216 2.521 1.00 0.00 C ATOM 996 CG1 ILE A 60 -6.567 -2.414 3.895 1.00 0.00 C ATOM 997 CG2 ILE A 60 -5.230 -0.866 2.486 1.00 0.00 C ATOM 998 CD1 ILE A 60 -5.484 -2.388 4.974 1.00 0.00 C ATOM 0 H ILE A 60 -5.487 -1.637 0.106 1.00 0.00 H new ATOM 0 HA ILE A 60 -7.324 -3.375 1.412 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.181 -2.996 2.350 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.300 -1.629 4.081 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.102 -3.363 3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.494 -0.814 3.288 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -4.730 -0.738 1.526 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.968 -0.075 2.619 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.942 -2.529 5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.768 -3.189 4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.969 -1.428 4.949 1.00 0.00 H new ATOM 1010 N PHE A 61 -8.223 -0.295 0.973 1.00 0.00 N ATOM 1011 CA PHE A 61 -9.307 0.670 1.137 1.00 0.00 C ATOM 1012 C PHE A 61 -9.518 0.955 2.612 1.00 0.00 C ATOM 1013 O PHE A 61 -10.629 0.814 3.138 1.00 0.00 O ATOM 1014 CB PHE A 61 -10.618 0.152 0.500 1.00 0.00 C ATOM 1015 CG PHE A 61 -10.812 0.731 -0.890 1.00 0.00 C ATOM 1016 CD1 PHE A 61 -10.865 2.122 -1.072 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -10.956 -0.121 -1.993 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -11.057 2.654 -2.351 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -11.146 0.413 -3.271 1.00 0.00 C ATOM 1020 CZ PHE A 61 -11.196 1.801 -3.451 1.00 0.00 C ATOM 0 H PHE A 61 -7.501 -0.006 0.314 1.00 0.00 H new ATOM 0 HA PHE A 61 -9.028 1.591 0.626 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -10.595 -0.936 0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -11.465 0.421 1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -10.757 2.782 -0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -10.920 -1.192 -1.856 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.098 3.724 -2.490 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -11.254 -0.245 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 61 -11.342 2.213 -4.439 1.00 0.00 H new