USER MOD reduce.3.24.130724 H: found=0, std=0, add=502, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 503 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 38 LYS NZ :NH3+ -129:sc= -0.469! (180deg=-0.378) USER MOD Set 1.2: A 39 TYR OH : rot -15:sc= 0.156 USER MOD Set 2.1: A 4 ASN : amide:sc= -2.57! C(o=-1.8!,f=-4.5!) USER MOD Set 2.2: A 7 LYS NZ :NH3+ -152:sc= 0.814 (180deg=0.175) USER MOD Single : A 5 ASN : amide:sc= 0.232 K(o=0.23,f=-0.63) USER MOD Single : A 12 LYS NZ :NH3+ -164:sc= -0.0241 (180deg=-0.476) USER MOD Single : A 13 LYS NZ :NH3+ -135:sc= 0.626 (180deg=-1.96!) USER MOD Single : A 14 LYS NZ :NH3+ -104:sc= 1.17! (180deg=-2.51!) USER MOD Single : A 16 SER OG : rot 85:sc= 1.1 USER MOD Single : A 17 GLN : amide:sc= -7.02! C(o=-7!,f=-6.2!) USER MOD Single : A 18 SER OG : rot 163:sc= -1.83! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.0085 K(o=-0.0085,f=-1.6!) USER MOD Single : A 30 THR OG1 : rot 98:sc= 0.0463 USER MOD Single : A 32 ASN : amide:sc= -4.13! C(o=-4.1!,f=-6.8!) USER MOD Single : A 36 LYS NZ :NH3+ -172:sc= 1.27! (180deg=0.669) USER MOD Single : A 37 ASN : amide:sc= -0.663 K(o=-0.66,f=-2.2!) USER MOD Single : A 40 ASN : amide:sc= -0.257! C(o=-0.26!,f=-8.6!) USER MOD Single : A 42 SER OG : rot 180:sc= -0.37 USER MOD Single : A 44 GLN : amide:sc= -0.0868 X(o=-0.087,f=-0.0029) USER MOD Single : A 48 LYS NZ :NH3+ -104:sc= 0.804 (180deg=-0.361) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 150:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.53! K(o=-2.5!,f=-1.2) USER MOD Single : A 55 THR OG1 : rot -140:sc= -0.199 USER MOD ----------------------------------------------------------------- ATOM 56 N ASN A 4 -0.500 -2.051 -6.592 1.00 0.00 N ATOM 57 CA ASN A 4 -1.106 -2.653 -5.416 1.00 0.00 C ATOM 58 C ASN A 4 -0.984 -4.171 -5.495 1.00 0.00 C ATOM 59 O ASN A 4 -1.967 -4.881 -5.673 1.00 0.00 O ATOM 60 CB ASN A 4 -2.580 -2.226 -5.339 1.00 0.00 C ATOM 61 CG ASN A 4 -3.203 -2.259 -6.741 1.00 0.00 C ATOM 62 OD1 ASN A 4 -2.705 -2.958 -7.633 1.00 0.00 O ATOM 63 ND2 ASN A 4 -4.252 -1.540 -6.995 1.00 0.00 N ATOM 0 HA ASN A 4 -0.592 -2.316 -4.516 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -3.127 -2.892 -4.672 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.656 -1.223 -4.920 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -4.665 -1.551 -7.928 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.665 -0.963 -6.262 1.00 0.00 H new ATOM 70 N ASN A 5 0.236 -4.660 -5.407 1.00 0.00 N ATOM 71 CA ASN A 5 0.509 -6.090 -5.611 1.00 0.00 C ATOM 72 C ASN A 5 0.079 -6.926 -4.415 1.00 0.00 C ATOM 73 O ASN A 5 0.553 -8.053 -4.238 1.00 0.00 O ATOM 74 CB ASN A 5 2.000 -6.341 -5.851 1.00 0.00 C ATOM 75 CG ASN A 5 2.558 -5.440 -6.930 1.00 0.00 C ATOM 76 OD1 ASN A 5 2.362 -5.697 -8.116 1.00 0.00 O ATOM 77 ND2 ASN A 5 3.259 -4.391 -6.585 1.00 0.00 N ATOM 0 H ASN A 5 1.061 -4.099 -5.196 1.00 0.00 H new ATOM 0 HA ASN A 5 -0.068 -6.386 -6.487 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.549 -6.179 -4.923 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.152 -7.383 -6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 5 3.648 -3.779 -7.302 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.417 -4.185 -5.599 1.00 0.00 H new ATOM 84 N LEU A 6 -0.856 -6.430 -3.642 1.00 0.00 N ATOM 85 CA LEU A 6 -1.328 -7.186 -2.488 1.00 0.00 C ATOM 86 C LEU A 6 -1.907 -8.508 -2.975 1.00 0.00 C ATOM 87 O LEU A 6 -1.605 -9.573 -2.444 1.00 0.00 O ATOM 88 CB LEU A 6 -2.381 -6.365 -1.711 1.00 0.00 C ATOM 89 CG LEU A 6 -2.850 -7.099 -0.427 1.00 0.00 C ATOM 90 CD1 LEU A 6 -4.026 -8.024 -0.743 1.00 0.00 C ATOM 91 CD2 LEU A 6 -1.704 -7.907 0.206 1.00 0.00 C ATOM 0 H LEU A 6 -1.304 -5.524 -3.779 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.502 -7.390 -1.807 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.961 -5.396 -1.443 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.240 -6.173 -2.354 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.170 -6.343 0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.344 -8.532 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.854 -7.437 -1.139 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.719 -8.763 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.065 -8.409 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -1.346 -8.650 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.888 -7.235 0.470 1.00 0.00 H new ATOM 103 N LYS A 7 -2.649 -8.434 -4.058 1.00 0.00 N ATOM 104 CA LYS A 7 -3.230 -9.609 -4.697 1.00 0.00 C ATOM 105 C LYS A 7 -2.182 -10.688 -4.979 1.00 0.00 C ATOM 106 O LYS A 7 -2.342 -11.842 -4.564 1.00 0.00 O ATOM 107 CB LYS A 7 -3.907 -9.182 -6.015 1.00 0.00 C ATOM 108 CG LYS A 7 -3.003 -8.159 -6.727 1.00 0.00 C ATOM 109 CD LYS A 7 -3.756 -7.437 -7.839 1.00 0.00 C ATOM 110 CE LYS A 7 -2.967 -6.165 -8.196 1.00 0.00 C ATOM 111 NZ LYS A 7 -3.661 -5.402 -9.247 1.00 0.00 N ATOM 0 H LYS A 7 -2.871 -7.556 -4.527 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.963 -10.038 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.071 -10.050 -6.654 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.885 -8.745 -5.813 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.632 -7.432 -6.004 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.133 -8.667 -7.144 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -3.856 -8.081 -8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.764 -7.182 -7.514 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -2.846 -5.544 -7.308 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.967 -6.434 -8.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.966 -4.860 -9.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.167 -6.058 -9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -4.341 -4.748 -8.810 1.00 0.00 H new ATOM 125 N LEU A 8 -1.121 -10.311 -5.682 1.00 0.00 N ATOM 126 CA LEU A 8 -0.092 -11.276 -6.071 1.00 0.00 C ATOM 127 C LEU A 8 0.561 -11.865 -4.844 1.00 0.00 C ATOM 128 O LEU A 8 0.688 -13.077 -4.716 1.00 0.00 O ATOM 129 CB LEU A 8 0.990 -10.570 -6.901 1.00 0.00 C ATOM 130 CG LEU A 8 0.554 -10.337 -8.374 1.00 0.00 C ATOM 131 CD1 LEU A 8 -0.632 -11.224 -8.775 1.00 0.00 C ATOM 132 CD2 LEU A 8 0.178 -8.864 -8.570 1.00 0.00 C ATOM 0 H LEU A 8 -0.948 -9.355 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.563 -12.067 -6.655 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.229 -9.611 -6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.902 -11.167 -6.886 1.00 0.00 H new ATOM 0 HG LEU A 8 1.397 -10.603 -9.012 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.900 -11.025 -9.813 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.355 -12.273 -8.666 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.484 -11.005 -8.132 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.128 -8.701 -9.603 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.645 -8.607 -7.903 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.039 -8.235 -8.343 1.00 0.00 H new ATOM 144 N ILE A 9 0.925 -11.001 -3.935 1.00 0.00 N ATOM 145 CA ILE A 9 1.541 -11.383 -2.684 1.00 0.00 C ATOM 146 C ILE A 9 0.569 -12.202 -1.831 1.00 0.00 C ATOM 147 O ILE A 9 0.925 -13.244 -1.277 1.00 0.00 O ATOM 148 CB ILE A 9 2.008 -10.103 -1.987 1.00 0.00 C ATOM 149 CG1 ILE A 9 3.184 -9.511 -2.787 1.00 0.00 C ATOM 150 CG2 ILE A 9 2.462 -10.393 -0.568 1.00 0.00 C ATOM 151 CD1 ILE A 9 3.219 -8.022 -2.613 1.00 0.00 C ATOM 0 H ILE A 9 0.802 -9.994 -4.041 1.00 0.00 H new ATOM 0 HA ILE A 9 2.403 -12.028 -2.852 1.00 0.00 H new ATOM 0 HB ILE A 9 1.178 -9.398 -1.943 1.00 0.00 H new ATOM 0 HG12 ILE A 9 4.123 -9.948 -2.448 1.00 0.00 H new ATOM 0 HG13 ILE A 9 3.080 -9.760 -3.843 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.789 -9.467 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 9 1.634 -10.818 -0.001 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.290 -11.102 -0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 9 4.053 -7.609 -3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.285 -7.591 -2.974 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.345 -7.782 -1.557 1.00 0.00 H new ATOM 163 N ARG A 10 -0.675 -11.761 -1.775 1.00 0.00 N ATOM 164 CA ARG A 10 -1.701 -12.481 -1.038 1.00 0.00 C ATOM 165 C ARG A 10 -1.896 -13.884 -1.616 1.00 0.00 C ATOM 166 O ARG A 10 -1.999 -14.868 -0.871 1.00 0.00 O ATOM 167 CB ARG A 10 -3.023 -11.687 -1.097 1.00 0.00 C ATOM 168 CG ARG A 10 -4.230 -12.601 -0.860 1.00 0.00 C ATOM 169 CD ARG A 10 -4.679 -13.228 -2.201 1.00 0.00 C ATOM 170 NE ARG A 10 -6.060 -12.870 -2.542 1.00 0.00 N ATOM 171 CZ ARG A 10 -6.395 -11.628 -2.883 1.00 0.00 C ATOM 172 NH1 ARG A 10 -5.546 -10.682 -2.703 1.00 0.00 N ATOM 173 NH2 ARG A 10 -7.579 -11.365 -3.360 1.00 0.00 N ATOM 0 H ARG A 10 -1.000 -10.908 -2.230 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.388 -12.585 0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -3.009 -10.897 -0.347 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.116 -11.202 -2.069 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.970 -13.386 -0.149 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.049 -12.032 -0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -4.012 -12.897 -2.997 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -4.590 -14.313 -2.141 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.781 -13.591 -2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -4.630 -10.888 -2.304 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -5.787 -9.725 -2.959 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -8.260 -12.115 -3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -7.824 -10.409 -3.618 1.00 0.00 H new ATOM 187 N GLU A 11 -1.955 -13.984 -2.943 1.00 0.00 N ATOM 188 CA GLU A 11 -2.159 -15.273 -3.582 1.00 0.00 C ATOM 189 C GLU A 11 -0.838 -16.015 -3.740 1.00 0.00 C ATOM 190 O GLU A 11 -0.812 -17.229 -3.927 1.00 0.00 O ATOM 191 CB GLU A 11 -2.884 -15.122 -4.927 1.00 0.00 C ATOM 192 CG GLU A 11 -1.978 -14.422 -5.943 1.00 0.00 C ATOM 193 CD GLU A 11 -1.787 -15.292 -7.172 1.00 0.00 C ATOM 194 OE1 GLU A 11 -1.756 -16.499 -7.032 1.00 0.00 O ATOM 195 OE2 GLU A 11 -1.676 -14.742 -8.240 1.00 0.00 O ATOM 0 H GLU A 11 -1.865 -13.197 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.801 -15.870 -2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.174 -16.103 -5.304 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -3.801 -14.548 -4.791 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.415 -13.466 -6.231 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.011 -14.206 -5.489 1.00 0.00 H new ATOM 202 N LYS A 12 0.253 -15.293 -3.581 1.00 0.00 N ATOM 203 CA LYS A 12 1.587 -15.868 -3.660 1.00 0.00 C ATOM 204 C LYS A 12 1.667 -16.998 -2.665 1.00 0.00 C ATOM 205 O LYS A 12 1.950 -18.149 -3.016 1.00 0.00 O ATOM 206 CB LYS A 12 2.553 -14.787 -3.212 1.00 0.00 C ATOM 207 CG LYS A 12 3.996 -15.203 -3.356 1.00 0.00 C ATOM 208 CD LYS A 12 4.814 -14.056 -2.789 1.00 0.00 C ATOM 209 CE LYS A 12 6.295 -14.307 -2.969 1.00 0.00 C ATOM 210 NZ LYS A 12 6.669 -15.604 -2.356 1.00 0.00 N ATOM 0 H LYS A 12 0.243 -14.290 -3.393 1.00 0.00 H new ATOM 0 HA LYS A 12 1.813 -16.225 -4.665 1.00 0.00 H new ATOM 0 HB2 LYS A 12 2.379 -13.884 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.353 -14.535 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.192 -16.129 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.248 -15.385 -4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.536 -13.126 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.588 -13.932 -1.730 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.545 -14.312 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.867 -13.500 -2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.702 -15.648 -2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.212 -15.693 -1.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 6.357 -16.382 -2.972 1.00 0.00 H new ATOM 224 N LYS A 13 1.265 -16.688 -1.452 1.00 0.00 N ATOM 225 CA LYS A 13 1.145 -17.692 -0.403 1.00 0.00 C ATOM 226 C LYS A 13 -0.297 -18.173 -0.271 1.00 0.00 C ATOM 227 O LYS A 13 -0.611 -18.963 0.616 1.00 0.00 O ATOM 228 CB LYS A 13 1.641 -17.163 0.943 1.00 0.00 C ATOM 229 CG LYS A 13 1.335 -15.667 1.093 1.00 0.00 C ATOM 230 CD LYS A 13 1.711 -15.232 2.511 1.00 0.00 C ATOM 231 CE LYS A 13 3.156 -14.718 2.518 1.00 0.00 C ATOM 232 NZ LYS A 13 3.744 -14.898 3.866 1.00 0.00 N ATOM 0 H LYS A 13 1.013 -15.744 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 13 1.774 -18.534 -0.692 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.167 -17.718 1.753 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.715 -17.329 1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.897 -15.090 0.359 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.278 -15.476 0.906 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.033 -14.451 2.856 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.608 -16.070 3.200 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.747 -15.257 1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.179 -13.665 2.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.252 -14.033 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.986 -15.088 4.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.407 -15.699 3.851 1.00 0.00 H new ATOM 246 N LYS A 14 -1.156 -17.711 -1.165 1.00 0.00 N ATOM 247 CA LYS A 14 -2.565 -18.105 -1.170 1.00 0.00 C ATOM 248 C LYS A 14 -3.274 -17.784 0.149 1.00 0.00 C ATOM 249 O LYS A 14 -3.892 -18.653 0.764 1.00 0.00 O ATOM 250 CB LYS A 14 -2.717 -19.591 -1.519 1.00 0.00 C ATOM 251 CG LYS A 14 -2.214 -19.843 -2.949 1.00 0.00 C ATOM 252 CD LYS A 14 -3.115 -19.105 -3.956 1.00 0.00 C ATOM 253 CE LYS A 14 -2.651 -19.413 -5.381 1.00 0.00 C ATOM 254 NZ LYS A 14 -1.498 -18.543 -5.741 1.00 0.00 N ATOM 0 H LYS A 14 -0.904 -17.056 -1.905 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.052 -17.511 -1.943 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.153 -20.200 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.762 -19.889 -1.433 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.184 -19.499 -3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.215 -20.912 -3.162 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.152 -19.414 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.077 -18.031 -3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.364 -20.462 -5.460 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -3.471 -19.253 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.820 -17.785 -6.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.097 -18.124 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.771 -19.111 -6.220 1.00 0.00 H new ATOM 268 N ILE A 15 -3.234 -16.519 0.529 1.00 0.00 N ATOM 269 CA ILE A 15 -3.948 -16.024 1.706 1.00 0.00 C ATOM 270 C ILE A 15 -5.339 -15.519 1.298 1.00 0.00 C ATOM 271 O ILE A 15 -5.465 -14.768 0.338 1.00 0.00 O ATOM 272 CB ILE A 15 -3.128 -14.888 2.368 1.00 0.00 C ATOM 273 CG1 ILE A 15 -2.113 -15.473 3.369 1.00 0.00 C ATOM 274 CG2 ILE A 15 -4.043 -13.892 3.089 1.00 0.00 C ATOM 275 CD1 ILE A 15 -1.446 -16.714 2.782 1.00 0.00 C ATOM 0 H ILE A 15 -2.706 -15.800 0.033 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.072 -16.833 2.425 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.595 -14.360 1.578 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.357 -14.725 3.610 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.617 -15.729 4.301 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.439 -13.107 3.544 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.735 -13.449 2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.607 -14.411 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.731 -17.117 3.500 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.204 -17.466 2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.925 -16.447 1.863 1.00 0.00 H new ATOM 287 N SER A 16 -6.371 -15.930 2.011 1.00 0.00 N ATOM 288 CA SER A 16 -7.715 -15.446 1.708 1.00 0.00 C ATOM 289 C SER A 16 -7.874 -14.020 2.207 1.00 0.00 C ATOM 290 O SER A 16 -7.246 -13.624 3.190 1.00 0.00 O ATOM 291 CB SER A 16 -8.777 -16.336 2.343 1.00 0.00 C ATOM 292 OG SER A 16 -8.362 -17.701 2.254 1.00 0.00 O ATOM 0 H SER A 16 -6.313 -16.585 2.791 1.00 0.00 H new ATOM 0 HA SER A 16 -7.850 -15.472 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.927 -16.056 3.386 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.733 -16.200 1.836 1.00 0.00 H new ATOM 0 HG SER A 16 -7.781 -17.916 3.013 1.00 0.00 H new ATOM 298 N GLN A 17 -8.728 -13.259 1.566 1.00 0.00 N ATOM 299 CA GLN A 17 -8.980 -11.893 1.984 1.00 0.00 C ATOM 300 C GLN A 17 -9.638 -11.865 3.368 1.00 0.00 C ATOM 301 O GLN A 17 -9.391 -10.961 4.165 1.00 0.00 O ATOM 302 CB GLN A 17 -9.881 -11.187 0.967 1.00 0.00 C ATOM 303 CG GLN A 17 -9.172 -11.083 -0.381 1.00 0.00 C ATOM 304 CD GLN A 17 -8.023 -10.100 -0.266 1.00 0.00 C ATOM 305 OE1 GLN A 17 -8.247 -8.921 -0.027 1.00 0.00 O ATOM 306 NE2 GLN A 17 -6.813 -10.515 -0.398 1.00 0.00 N ATOM 0 H GLN A 17 -9.263 -13.559 0.751 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.025 -11.370 2.040 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.815 -11.737 0.854 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -10.139 -10.192 1.328 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -8.800 -12.061 -0.686 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -9.872 -10.754 -1.149 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.630 -11.498 -0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -6.036 -9.861 -0.303 1.00 0.00 H new ATOM 315 N SER A 18 -10.546 -12.808 3.608 1.00 0.00 N ATOM 316 CA SER A 18 -11.327 -12.810 4.839 1.00 0.00 C ATOM 317 C SER A 18 -10.440 -12.918 6.070 1.00 0.00 C ATOM 318 O SER A 18 -10.518 -12.076 6.970 1.00 0.00 O ATOM 319 CB SER A 18 -12.340 -13.951 4.815 1.00 0.00 C ATOM 320 OG SER A 18 -13.104 -13.872 3.608 1.00 0.00 O ATOM 0 H SER A 18 -10.757 -13.575 2.970 1.00 0.00 H new ATOM 0 HA SER A 18 -11.856 -11.859 4.898 1.00 0.00 H new ATOM 0 HB2 SER A 18 -11.827 -14.911 4.873 1.00 0.00 H new ATOM 0 HB3 SER A 18 -12.998 -13.888 5.682 1.00 0.00 H new ATOM 0 HG SER A 18 -13.554 -14.728 3.449 1.00 0.00 H new ATOM 326 N GLU A 19 -9.534 -13.878 6.073 1.00 0.00 N ATOM 327 CA GLU A 19 -8.622 -14.009 7.191 1.00 0.00 C ATOM 328 C GLU A 19 -7.674 -12.834 7.224 1.00 0.00 C ATOM 329 O GLU A 19 -7.407 -12.270 8.274 1.00 0.00 O ATOM 330 CB GLU A 19 -7.854 -15.333 7.137 1.00 0.00 C ATOM 331 CG GLU A 19 -7.257 -15.557 5.733 1.00 0.00 C ATOM 332 CD GLU A 19 -7.730 -16.874 5.146 1.00 0.00 C ATOM 333 OE1 GLU A 19 -8.819 -17.307 5.477 1.00 0.00 O ATOM 334 OE2 GLU A 19 -7.005 -17.435 4.354 1.00 0.00 O ATOM 0 H GLU A 19 -9.411 -14.565 5.329 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.207 -14.014 8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.057 -15.328 7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.521 -16.157 7.390 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -7.546 -14.737 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.169 -15.550 5.791 1.00 0.00 H new ATOM 341 N LEU A 20 -7.250 -12.412 6.050 1.00 0.00 N ATOM 342 CA LEU A 20 -6.343 -11.289 5.924 1.00 0.00 C ATOM 343 C LEU A 20 -6.968 -10.041 6.517 1.00 0.00 C ATOM 344 O LEU A 20 -6.375 -9.381 7.371 1.00 0.00 O ATOM 345 CB LEU A 20 -6.121 -11.042 4.431 1.00 0.00 C ATOM 346 CG LEU A 20 -5.265 -9.799 4.205 1.00 0.00 C ATOM 347 CD1 LEU A 20 -3.803 -10.065 4.570 1.00 0.00 C ATOM 348 CD2 LEU A 20 -5.399 -9.361 2.751 1.00 0.00 C ATOM 0 H LEU A 20 -7.522 -12.834 5.162 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.410 -11.508 6.444 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.635 -11.909 3.983 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -7.082 -10.922 3.931 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.616 -8.997 4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.215 -9.163 4.399 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.736 -10.349 5.620 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.415 -10.873 3.951 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.790 -8.473 2.581 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.060 -10.164 2.096 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.443 -9.132 2.535 1.00 0.00 H new ATOM 360 N ALA A 21 -8.183 -9.749 6.109 1.00 0.00 N ATOM 361 CA ALA A 21 -8.870 -8.555 6.576 1.00 0.00 C ATOM 362 C ALA A 21 -8.992 -8.564 8.080 1.00 0.00 C ATOM 363 O ALA A 21 -8.868 -7.523 8.730 1.00 0.00 O ATOM 364 CB ALA A 21 -10.252 -8.434 5.938 1.00 0.00 C ATOM 0 H ALA A 21 -8.720 -10.319 5.455 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.276 -7.691 6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.744 -7.533 6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.149 -8.376 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.851 -9.306 6.199 1.00 0.00 H new ATOM 370 N ALA A 22 -9.179 -9.749 8.642 1.00 0.00 N ATOM 371 CA ALA A 22 -9.266 -9.880 10.080 1.00 0.00 C ATOM 372 C ALA A 22 -7.958 -9.464 10.714 1.00 0.00 C ATOM 373 O ALA A 22 -7.944 -8.737 11.710 1.00 0.00 O ATOM 374 CB ALA A 22 -9.602 -11.320 10.479 1.00 0.00 C ATOM 0 H ALA A 22 -9.272 -10.624 8.126 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.065 -9.230 10.436 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.662 -11.392 11.565 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.560 -11.604 10.043 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.824 -11.990 10.113 1.00 0.00 H new ATOM 380 N LEU A 23 -6.856 -9.896 10.112 1.00 0.00 N ATOM 381 CA LEU A 23 -5.534 -9.538 10.597 1.00 0.00 C ATOM 382 C LEU A 23 -5.305 -8.056 10.437 1.00 0.00 C ATOM 383 O LEU A 23 -4.680 -7.415 11.280 1.00 0.00 O ATOM 384 CB LEU A 23 -4.447 -10.306 9.836 1.00 0.00 C ATOM 385 CG LEU A 23 -4.757 -11.806 9.868 1.00 0.00 C ATOM 386 CD1 LEU A 23 -3.655 -12.587 9.181 1.00 0.00 C ATOM 387 CD2 LEU A 23 -4.935 -12.296 11.298 1.00 0.00 C ATOM 0 H LEU A 23 -6.855 -10.495 9.287 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.479 -9.803 11.653 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.396 -9.957 8.805 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.472 -10.117 10.285 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.692 -11.969 9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.890 -13.651 9.212 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.572 -12.264 8.143 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.709 -12.409 9.693 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.154 -13.364 11.292 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.019 -12.117 11.861 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.760 -11.759 11.767 1.00 0.00 H new ATOM 399 N LEU A 24 -5.767 -7.532 9.319 1.00 0.00 N ATOM 400 CA LEU A 24 -5.583 -6.127 8.997 1.00 0.00 C ATOM 401 C LEU A 24 -6.494 -5.266 9.850 1.00 0.00 C ATOM 402 O LEU A 24 -6.257 -4.066 10.018 1.00 0.00 O ATOM 403 CB LEU A 24 -5.867 -5.882 7.516 1.00 0.00 C ATOM 404 CG LEU A 24 -4.946 -6.767 6.667 1.00 0.00 C ATOM 405 CD1 LEU A 24 -5.207 -6.538 5.184 1.00 0.00 C ATOM 406 CD2 LEU A 24 -3.485 -6.508 7.003 1.00 0.00 C ATOM 0 H LEU A 24 -6.277 -8.061 8.612 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.548 -5.857 9.207 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.910 -6.105 7.293 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.706 -4.832 7.272 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.165 -7.809 6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.545 -7.174 4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.244 -6.783 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.019 -5.493 4.939 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.851 -7.147 6.388 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.246 -5.463 6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.309 -6.728 8.056 1.00 0.00 H new ATOM 418 N GLU A 25 -7.574 -5.879 10.331 1.00 0.00 N ATOM 419 CA GLU A 25 -8.584 -5.196 11.139 1.00 0.00 C ATOM 420 C GLU A 25 -9.361 -4.213 10.273 1.00 0.00 C ATOM 421 O GLU A 25 -9.870 -3.196 10.761 1.00 0.00 O ATOM 422 CB GLU A 25 -7.933 -4.443 12.294 1.00 0.00 C ATOM 423 CG GLU A 25 -7.091 -5.400 13.146 1.00 0.00 C ATOM 424 CD GLU A 25 -6.355 -4.622 14.216 1.00 0.00 C ATOM 425 OE1 GLU A 25 -5.818 -3.578 13.901 1.00 0.00 O ATOM 426 OE2 GLU A 25 -6.329 -5.075 15.333 1.00 0.00 O ATOM 0 H GLU A 25 -7.774 -6.866 10.171 1.00 0.00 H new ATOM 0 HA GLU A 25 -9.262 -5.947 11.545 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -7.304 -3.642 11.906 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -8.701 -3.976 12.911 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.732 -6.152 13.606 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -6.379 -5.932 12.515 1.00 0.00 H new ATOM 433 N VAL A 26 -9.462 -4.532 9.001 1.00 0.00 N ATOM 434 CA VAL A 26 -10.186 -3.706 8.055 1.00 0.00 C ATOM 435 C VAL A 26 -11.123 -4.581 7.259 1.00 0.00 C ATOM 436 O VAL A 26 -10.961 -5.800 7.236 1.00 0.00 O ATOM 437 CB VAL A 26 -9.207 -2.986 7.115 1.00 0.00 C ATOM 438 CG1 VAL A 26 -8.268 -2.097 7.933 1.00 0.00 C ATOM 439 CG2 VAL A 26 -8.379 -4.012 6.323 1.00 0.00 C ATOM 0 H VAL A 26 -9.046 -5.369 8.592 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.758 -2.951 8.595 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.776 -2.373 6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -7.575 -1.587 7.264 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -8.852 -1.358 8.481 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.707 -2.711 8.637 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.689 -3.489 5.661 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.814 -4.636 7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.046 -4.639 5.731 1.00 0.00 H new ATOM 449 N SER A 27 -12.107 -3.978 6.626 1.00 0.00 N ATOM 450 CA SER A 27 -13.053 -4.749 5.851 1.00 0.00 C ATOM 451 C SER A 27 -12.354 -5.455 4.683 1.00 0.00 C ATOM 452 O SER A 27 -11.548 -4.848 3.963 1.00 0.00 O ATOM 453 CB SER A 27 -14.175 -3.845 5.352 1.00 0.00 C ATOM 454 OG SER A 27 -14.866 -3.298 6.475 1.00 0.00 O ATOM 0 H SER A 27 -12.271 -2.971 6.632 1.00 0.00 H new ATOM 0 HA SER A 27 -13.486 -5.519 6.490 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.767 -3.045 4.735 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.864 -4.411 4.725 1.00 0.00 H new ATOM 0 HG SER A 27 -15.588 -2.714 6.162 1.00 0.00 H new ATOM 460 N ARG A 28 -12.709 -6.720 4.486 1.00 0.00 N ATOM 461 CA ARG A 28 -12.162 -7.574 3.432 1.00 0.00 C ATOM 462 C ARG A 28 -12.409 -6.977 2.063 1.00 0.00 C ATOM 463 O ARG A 28 -11.525 -6.976 1.199 1.00 0.00 O ATOM 464 CB ARG A 28 -12.859 -8.939 3.535 1.00 0.00 C ATOM 465 CG ARG A 28 -12.472 -9.868 2.394 1.00 0.00 C ATOM 466 CD ARG A 28 -13.265 -11.170 2.541 1.00 0.00 C ATOM 467 NE ARG A 28 -14.701 -10.903 2.454 1.00 0.00 N ATOM 468 CZ ARG A 28 -15.610 -11.833 2.762 1.00 0.00 C ATOM 469 NH1 ARG A 28 -15.224 -13.012 3.155 1.00 0.00 N ATOM 470 NH2 ARG A 28 -16.878 -11.558 2.675 1.00 0.00 N ATOM 0 H ARG A 28 -13.401 -7.193 5.067 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.084 -7.672 3.559 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.601 -9.406 4.485 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.939 -8.795 3.534 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -12.687 -9.399 1.434 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.401 -10.071 2.417 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.971 -11.873 1.761 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -13.033 -11.639 3.497 1.00 0.00 H new ATOM 0 HE ARG A 28 -15.017 -9.982 2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.229 -13.225 3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.916 -13.723 3.391 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -17.179 -10.632 2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -17.571 -12.268 2.910 1.00 0.00 H new ATOM 484 N GLN A 29 -13.608 -6.486 1.865 1.00 0.00 N ATOM 485 CA GLN A 29 -13.994 -5.923 0.591 1.00 0.00 C ATOM 486 C GLN A 29 -13.014 -4.842 0.156 1.00 0.00 C ATOM 487 O GLN A 29 -12.698 -4.708 -1.027 1.00 0.00 O ATOM 488 CB GLN A 29 -15.421 -5.368 0.671 1.00 0.00 C ATOM 489 CG GLN A 29 -15.531 -4.372 1.836 1.00 0.00 C ATOM 490 CD GLN A 29 -16.981 -3.954 2.042 1.00 0.00 C ATOM 491 OE1 GLN A 29 -17.901 -4.597 1.519 1.00 0.00 O ATOM 492 NE2 GLN A 29 -17.252 -2.922 2.771 1.00 0.00 N ATOM 0 H GLN A 29 -14.340 -6.464 2.575 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.971 -6.713 -0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -15.682 -4.875 -0.266 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -16.130 -6.184 0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.143 -4.825 2.748 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -14.918 -3.494 1.631 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.496 -2.390 3.203 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.221 -2.639 2.914 1.00 0.00 H new ATOM 501 N THR A 30 -12.578 -4.049 1.112 1.00 0.00 N ATOM 502 CA THR A 30 -11.681 -2.947 0.838 1.00 0.00 C ATOM 503 C THR A 30 -10.353 -3.451 0.272 1.00 0.00 C ATOM 504 O THR A 30 -9.858 -2.938 -0.733 1.00 0.00 O ATOM 505 CB THR A 30 -11.412 -2.189 2.146 1.00 0.00 C ATOM 506 OG1 THR A 30 -12.403 -2.555 3.105 1.00 0.00 O ATOM 507 CG2 THR A 30 -11.473 -0.676 1.898 1.00 0.00 C ATOM 0 H THR A 30 -12.833 -4.149 2.094 1.00 0.00 H new ATOM 0 HA THR A 30 -12.146 -2.291 0.102 1.00 0.00 H new ATOM 0 HB THR A 30 -10.420 -2.446 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.042 -3.242 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 30 -11.281 -0.146 2.831 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.720 -0.397 1.161 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.462 -0.408 1.525 1.00 0.00 H new ATOM 515 N ILE A 31 -9.756 -4.414 0.956 1.00 0.00 N ATOM 516 CA ILE A 31 -8.420 -4.866 0.602 1.00 0.00 C ATOM 517 C ILE A 31 -8.409 -5.472 -0.795 1.00 0.00 C ATOM 518 O ILE A 31 -7.547 -5.147 -1.618 1.00 0.00 O ATOM 519 CB ILE A 31 -7.934 -5.903 1.620 1.00 0.00 C ATOM 520 CG1 ILE A 31 -7.778 -5.252 3.005 1.00 0.00 C ATOM 521 CG2 ILE A 31 -6.586 -6.474 1.180 1.00 0.00 C ATOM 522 CD1 ILE A 31 -6.762 -4.107 2.951 1.00 0.00 C ATOM 0 H ILE A 31 -10.172 -4.895 1.754 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.751 -4.006 0.613 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.670 -6.705 1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -8.742 -4.874 3.346 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.454 -5.999 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.247 -7.210 1.909 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.693 -6.951 0.206 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.855 -5.669 1.111 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.666 -3.659 3.940 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.794 -4.494 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -7.102 -3.352 2.242 1.00 0.00 H new ATOM 534 N ASN A 32 -9.398 -6.295 -1.083 1.00 0.00 N ATOM 535 CA ASN A 32 -9.484 -6.906 -2.398 1.00 0.00 C ATOM 536 C ASN A 32 -9.780 -5.852 -3.446 1.00 0.00 C ATOM 537 O ASN A 32 -9.525 -6.055 -4.636 1.00 0.00 O ATOM 538 CB ASN A 32 -10.516 -8.040 -2.432 1.00 0.00 C ATOM 539 CG ASN A 32 -11.939 -7.502 -2.451 1.00 0.00 C ATOM 540 OD1 ASN A 32 -12.262 -6.600 -3.226 1.00 0.00 O ATOM 541 ND2 ASN A 32 -12.809 -7.996 -1.635 1.00 0.00 N ATOM 0 H ASN A 32 -10.143 -6.554 -0.437 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.518 -7.356 -2.627 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.349 -8.659 -3.314 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.381 -8.682 -1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -13.765 -7.640 -1.631 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -12.541 -8.743 -0.994 1.00 0.00 H new ATOM 548 N GLY A 33 -10.258 -4.707 -2.996 1.00 0.00 N ATOM 549 CA GLY A 33 -10.480 -3.574 -3.877 1.00 0.00 C ATOM 550 C GLY A 33 -9.166 -2.842 -4.128 1.00 0.00 C ATOM 551 O GLY A 33 -8.912 -2.341 -5.233 1.00 0.00 O ATOM 0 H GLY A 33 -10.501 -4.536 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.902 -3.915 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.205 -2.893 -3.432 1.00 0.00 H new ATOM 555 N ILE A 34 -8.347 -2.756 -3.084 1.00 0.00 N ATOM 556 CA ILE A 34 -7.090 -2.026 -3.156 1.00 0.00 C ATOM 557 C ILE A 34 -6.159 -2.657 -4.178 1.00 0.00 C ATOM 558 O ILE A 34 -5.609 -1.964 -5.026 1.00 0.00 O ATOM 559 CB ILE A 34 -6.420 -1.982 -1.770 1.00 0.00 C ATOM 560 CG1 ILE A 34 -7.263 -1.124 -0.824 1.00 0.00 C ATOM 561 CG2 ILE A 34 -5.026 -1.369 -1.866 1.00 0.00 C ATOM 562 CD1 ILE A 34 -6.713 -1.231 0.599 1.00 0.00 C ATOM 0 H ILE A 34 -8.534 -3.184 -2.177 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.301 -1.005 -3.474 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.341 -3.002 -1.394 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.250 -0.085 -1.152 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -8.302 -1.453 -0.848 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.569 -1.347 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.410 -1.969 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.101 -0.353 -2.254 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -7.316 -0.619 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.749 -2.270 0.926 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.681 -0.881 0.618 1.00 0.00 H new ATOM 574 N GLU A 35 -6.058 -3.975 -4.155 1.00 0.00 N ATOM 575 CA GLU A 35 -5.246 -4.704 -5.128 1.00 0.00 C ATOM 576 C GLU A 35 -5.795 -4.497 -6.535 1.00 0.00 C ATOM 577 O GLU A 35 -5.038 -4.363 -7.505 1.00 0.00 O ATOM 578 CB GLU A 35 -5.216 -6.185 -4.764 1.00 0.00 C ATOM 579 CG GLU A 35 -6.643 -6.752 -4.758 1.00 0.00 C ATOM 580 CD GLU A 35 -6.635 -8.168 -4.221 1.00 0.00 C ATOM 581 OE1 GLU A 35 -5.881 -8.431 -3.320 1.00 0.00 O ATOM 582 OE2 GLU A 35 -7.389 -8.973 -4.723 1.00 0.00 O ATOM 0 H GLU A 35 -6.528 -4.569 -3.472 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.226 -4.321 -5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.601 -6.732 -5.479 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.759 -6.318 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.290 -6.125 -4.144 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.052 -6.740 -5.768 1.00 0.00 H new ATOM 589 N LYS A 36 -7.115 -4.437 -6.645 1.00 0.00 N ATOM 590 CA LYS A 36 -7.731 -4.143 -7.926 1.00 0.00 C ATOM 591 C LYS A 36 -7.441 -2.716 -8.360 1.00 0.00 C ATOM 592 O LYS A 36 -7.064 -2.488 -9.508 1.00 0.00 O ATOM 593 CB LYS A 36 -9.238 -4.425 -7.916 1.00 0.00 C ATOM 594 CG LYS A 36 -9.505 -5.785 -8.592 1.00 0.00 C ATOM 595 CD LYS A 36 -10.212 -6.734 -7.627 1.00 0.00 C ATOM 596 CE LYS A 36 -9.235 -7.843 -7.204 1.00 0.00 C ATOM 597 NZ LYS A 36 -9.421 -8.144 -5.768 1.00 0.00 N ATOM 0 H LYS A 36 -7.768 -4.585 -5.876 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.284 -4.815 -8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -9.611 -4.435 -6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.772 -3.633 -8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.117 -5.641 -9.483 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.563 -6.226 -8.920 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.562 -6.187 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.091 -7.169 -8.104 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.406 -8.740 -7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.208 -7.528 -7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -8.673 -8.793 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.370 -7.262 -5.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.350 -8.589 -5.624 1.00 0.00 H new ATOM 611 N ASN A 37 -7.580 -1.760 -7.441 1.00 0.00 N ATOM 612 CA ASN A 37 -7.302 -0.353 -7.770 1.00 0.00 C ATOM 613 C ASN A 37 -7.578 0.585 -6.603 1.00 0.00 C ATOM 614 O ASN A 37 -7.193 1.758 -6.654 1.00 0.00 O ATOM 615 CB ASN A 37 -8.149 0.104 -8.967 1.00 0.00 C ATOM 616 CG ASN A 37 -9.616 0.208 -8.555 1.00 0.00 C ATOM 617 OD1 ASN A 37 -9.993 1.134 -7.846 1.00 0.00 O ATOM 618 ND2 ASN A 37 -10.457 -0.693 -8.937 1.00 0.00 N ATOM 0 H ASN A 37 -7.877 -1.924 -6.479 1.00 0.00 H new ATOM 0 HA ASN A 37 -6.241 -0.304 -8.013 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -7.794 1.069 -9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.042 -0.603 -9.790 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.434 -0.634 -8.649 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.145 -1.464 -9.527 1.00 0.00 H new ATOM 625 N LYS A 38 -8.374 0.135 -5.644 1.00 0.00 N ATOM 626 CA LYS A 38 -8.846 1.019 -4.578 1.00 0.00 C ATOM 627 C LYS A 38 -7.688 1.698 -3.840 1.00 0.00 C ATOM 628 O LYS A 38 -6.515 1.439 -4.121 1.00 0.00 O ATOM 629 CB LYS A 38 -9.799 0.288 -3.605 1.00 0.00 C ATOM 630 CG LYS A 38 -11.021 1.179 -3.275 1.00 0.00 C ATOM 631 CD LYS A 38 -11.910 1.345 -4.531 1.00 0.00 C ATOM 632 CE LYS A 38 -13.090 2.294 -4.242 1.00 0.00 C ATOM 633 NZ LYS A 38 -13.714 1.958 -2.939 1.00 0.00 N ATOM 0 H LYS A 38 -8.706 -0.827 -5.578 1.00 0.00 H new ATOM 0 HA LYS A 38 -9.423 1.811 -5.056 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.134 -0.649 -4.049 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.268 0.034 -2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.599 0.732 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.686 2.155 -2.925 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.314 1.738 -5.355 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.288 0.372 -4.846 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.741 3.326 -4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -13.831 2.217 -5.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.741 1.854 -3.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.316 1.066 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -13.523 2.719 -2.256 1.00 0.00 H new ATOM 647 N TYR A 39 -8.045 2.664 -3.004 1.00 0.00 N ATOM 648 CA TYR A 39 -7.086 3.542 -2.326 1.00 0.00 C ATOM 649 C TYR A 39 -5.937 2.760 -1.702 1.00 0.00 C ATOM 650 O TYR A 39 -6.153 1.791 -0.975 1.00 0.00 O ATOM 651 CB TYR A 39 -7.787 4.380 -1.230 1.00 0.00 C ATOM 652 CG TYR A 39 -9.301 4.269 -1.344 1.00 0.00 C ATOM 653 CD1 TYR A 39 -9.983 4.876 -2.406 1.00 0.00 C ATOM 654 CD2 TYR A 39 -10.015 3.548 -0.381 1.00 0.00 C ATOM 655 CE1 TYR A 39 -11.372 4.763 -2.498 1.00 0.00 C ATOM 656 CE2 TYR A 39 -11.403 3.434 -0.478 1.00 0.00 C ATOM 657 CZ TYR A 39 -12.080 4.046 -1.539 1.00 0.00 C ATOM 658 OH TYR A 39 -13.451 3.929 -1.643 1.00 0.00 O ATOM 0 H TYR A 39 -9.017 2.866 -2.772 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.676 4.205 -3.088 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -7.467 4.039 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -7.488 5.424 -1.318 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -9.435 5.431 -3.153 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -9.492 3.079 0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -11.898 5.233 -3.316 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -11.953 2.875 0.264 1.00 0.00 H new ATOM 0 HH TYR A 39 -13.788 4.588 -2.285 1.00 0.00 H new ATOM 668 N ASN A 40 -4.722 3.225 -1.950 1.00 0.00 N ATOM 669 CA ASN A 40 -3.523 2.613 -1.385 1.00 0.00 C ATOM 670 C ASN A 40 -3.631 2.551 0.129 1.00 0.00 C ATOM 671 O ASN A 40 -4.171 3.474 0.754 1.00 0.00 O ATOM 672 CB ASN A 40 -2.262 3.409 -1.765 1.00 0.00 C ATOM 673 CG ASN A 40 -2.264 3.784 -3.245 1.00 0.00 C ATOM 674 OD1 ASN A 40 -3.332 3.903 -3.861 1.00 0.00 O ATOM 675 ND2 ASN A 40 -1.140 3.970 -3.866 1.00 0.00 N ATOM 0 H ASN A 40 -4.537 4.033 -2.545 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.441 1.606 -1.793 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -2.205 4.313 -1.159 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.375 2.817 -1.539 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -1.139 4.213 -4.857 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.258 3.873 -3.364 1.00 0.00 H new ATOM 682 N PRO A 41 -3.136 1.506 0.735 1.00 0.00 N ATOM 683 CA PRO A 41 -3.191 1.334 2.207 1.00 0.00 C ATOM 684 C PRO A 41 -2.220 2.248 2.930 1.00 0.00 C ATOM 685 O PRO A 41 -1.142 2.571 2.411 1.00 0.00 O ATOM 686 CB PRO A 41 -2.822 -0.133 2.410 1.00 0.00 C ATOM 687 CG PRO A 41 -1.898 -0.427 1.280 1.00 0.00 C ATOM 688 CD PRO A 41 -2.440 0.372 0.085 1.00 0.00 C ATOM 0 HA PRO A 41 -4.169 1.592 2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.339 -0.294 3.374 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.703 -0.774 2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.877 -0.129 1.520 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.875 -1.494 1.060 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.638 0.712 -0.571 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.120 -0.224 -0.525 1.00 0.00 H new ATOM 696 N SER A 42 -2.556 2.590 4.150 1.00 0.00 N ATOM 697 CA SER A 42 -1.684 3.379 4.988 1.00 0.00 C ATOM 698 C SER A 42 -0.488 2.547 5.418 1.00 0.00 C ATOM 699 O SER A 42 -0.495 1.314 5.289 1.00 0.00 O ATOM 700 CB SER A 42 -2.454 3.892 6.199 1.00 0.00 C ATOM 701 OG SER A 42 -3.207 2.817 6.765 1.00 0.00 O ATOM 0 H SER A 42 -3.439 2.330 4.590 1.00 0.00 H new ATOM 0 HA SER A 42 -1.319 4.238 4.424 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.764 4.298 6.939 1.00 0.00 H new ATOM 0 HB3 SER A 42 -3.120 4.703 5.905 1.00 0.00 H new ATOM 0 HG SER A 42 -3.703 3.141 7.546 1.00 0.00 H new ATOM 707 N LEU A 43 0.544 3.201 5.916 1.00 0.00 N ATOM 708 CA LEU A 43 1.755 2.507 6.310 1.00 0.00 C ATOM 709 C LEU A 43 1.445 1.509 7.411 1.00 0.00 C ATOM 710 O LEU A 43 1.839 0.355 7.334 1.00 0.00 O ATOM 711 CB LEU A 43 2.827 3.508 6.770 1.00 0.00 C ATOM 712 CG LEU A 43 4.122 2.776 7.179 1.00 0.00 C ATOM 713 CD1 LEU A 43 4.662 1.958 6.006 1.00 0.00 C ATOM 714 CD2 LEU A 43 5.178 3.806 7.603 1.00 0.00 C ATOM 0 H LEU A 43 0.568 4.211 6.057 1.00 0.00 H new ATOM 0 HA LEU A 43 2.146 1.966 5.448 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.041 4.213 5.967 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.451 4.089 7.612 1.00 0.00 H new ATOM 0 HG LEU A 43 3.900 2.106 8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.576 1.447 6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.918 1.222 5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.878 2.621 5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.094 3.290 7.892 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.387 4.477 6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.804 4.383 8.449 1.00 0.00 H new ATOM 726 N GLN A 44 0.637 1.920 8.386 1.00 0.00 N ATOM 727 CA GLN A 44 0.246 1.004 9.437 1.00 0.00 C ATOM 728 C GLN A 44 -0.469 -0.185 8.825 1.00 0.00 C ATOM 729 O GLN A 44 -0.165 -1.338 9.138 1.00 0.00 O ATOM 730 CB GLN A 44 -0.707 1.699 10.412 1.00 0.00 C ATOM 731 CG GLN A 44 -1.022 0.768 11.586 1.00 0.00 C ATOM 732 CD GLN A 44 -2.254 1.271 12.305 1.00 0.00 C ATOM 733 OE1 GLN A 44 -2.198 1.622 13.483 1.00 0.00 O ATOM 734 NE2 GLN A 44 -3.373 1.340 11.652 1.00 0.00 N ATOM 0 H GLN A 44 0.251 2.861 8.464 1.00 0.00 H new ATOM 0 HA GLN A 44 1.138 0.676 9.970 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.257 2.621 10.779 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.628 1.976 9.899 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -1.186 -0.248 11.226 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -0.176 0.730 12.272 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.413 1.047 10.676 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.213 1.687 12.115 1.00 0.00 H new ATOM 743 N LEU A 45 -1.411 0.096 7.936 1.00 0.00 N ATOM 744 CA LEU A 45 -2.150 -0.960 7.277 1.00 0.00 C ATOM 745 C LEU A 45 -1.198 -1.801 6.435 1.00 0.00 C ATOM 746 O LEU A 45 -1.191 -3.033 6.516 1.00 0.00 O ATOM 747 CB LEU A 45 -3.278 -0.367 6.407 1.00 0.00 C ATOM 748 CG LEU A 45 -4.399 -1.400 6.162 1.00 0.00 C ATOM 749 CD1 LEU A 45 -3.917 -2.505 5.218 1.00 0.00 C ATOM 750 CD2 LEU A 45 -4.858 -2.021 7.493 1.00 0.00 C ATOM 0 H LEU A 45 -1.677 1.041 7.659 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.610 -1.600 8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.693 0.514 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.869 -0.038 5.452 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.240 -0.883 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.721 -3.223 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.626 -2.067 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.060 -3.013 5.660 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.648 -2.747 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.015 -2.520 7.972 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.236 -1.237 8.149 1.00 0.00 H new ATOM 762 N ALA A 46 -0.331 -1.116 5.701 1.00 0.00 N ATOM 763 CA ALA A 46 0.655 -1.788 4.876 1.00 0.00 C ATOM 764 C ALA A 46 1.583 -2.620 5.739 1.00 0.00 C ATOM 765 O ALA A 46 1.876 -3.778 5.415 1.00 0.00 O ATOM 766 CB ALA A 46 1.454 -0.762 4.060 1.00 0.00 C ATOM 0 H ALA A 46 -0.293 -0.097 5.662 1.00 0.00 H new ATOM 0 HA ALA A 46 0.138 -2.453 4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.190 -1.280 3.445 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.776 -0.200 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.964 -0.076 4.737 1.00 0.00 H new ATOM 772 N LEU A 47 1.992 -2.064 6.870 1.00 0.00 N ATOM 773 CA LEU A 47 2.833 -2.798 7.803 1.00 0.00 C ATOM 774 C LEU A 47 2.100 -4.016 8.314 1.00 0.00 C ATOM 775 O LEU A 47 2.654 -5.116 8.346 1.00 0.00 O ATOM 776 CB LEU A 47 3.258 -1.918 8.985 1.00 0.00 C ATOM 777 CG LEU A 47 4.267 -0.857 8.521 1.00 0.00 C ATOM 778 CD1 LEU A 47 4.516 0.140 9.655 1.00 0.00 C ATOM 779 CD2 LEU A 47 5.590 -1.537 8.150 1.00 0.00 C ATOM 0 H LEU A 47 1.758 -1.115 7.162 1.00 0.00 H new ATOM 0 HA LEU A 47 3.731 -3.109 7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.384 -1.433 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.702 -2.535 9.766 1.00 0.00 H new ATOM 0 HG LEU A 47 3.867 -0.334 7.653 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.232 0.893 9.326 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.578 0.625 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.916 -0.387 10.521 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.306 -0.784 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.987 -2.059 9.020 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.419 -2.251 7.345 1.00 0.00 H new ATOM 791 N LYS A 48 0.820 -3.849 8.620 1.00 0.00 N ATOM 792 CA LYS A 48 0.027 -4.978 9.059 1.00 0.00 C ATOM 793 C LYS A 48 -0.015 -6.028 7.982 1.00 0.00 C ATOM 794 O LYS A 48 0.171 -7.226 8.264 1.00 0.00 O ATOM 795 CB LYS A 48 -1.405 -4.559 9.435 1.00 0.00 C ATOM 796 CG LYS A 48 -1.400 -3.788 10.766 1.00 0.00 C ATOM 797 CD LYS A 48 -2.835 -3.368 11.119 1.00 0.00 C ATOM 798 CE LYS A 48 -2.872 -2.730 12.518 1.00 0.00 C ATOM 799 NZ LYS A 48 -3.393 -3.718 13.506 1.00 0.00 N ATOM 0 H LYS A 48 0.321 -2.960 8.573 1.00 0.00 H new ATOM 0 HA LYS A 48 0.501 -5.386 9.952 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.828 -3.936 8.647 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.040 -5.441 9.520 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.987 -4.412 11.559 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.761 -2.908 10.687 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.207 -2.660 10.378 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.494 -4.236 11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.873 -2.405 12.807 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.505 -1.843 12.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.377 -3.483 13.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.356 -4.673 13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.810 -3.689 14.367 1.00 0.00 H new ATOM 813 N ILE A 49 -0.224 -5.598 6.744 1.00 0.00 N ATOM 814 CA ILE A 49 -0.245 -6.535 5.646 1.00 0.00 C ATOM 815 C ILE A 49 1.134 -7.170 5.502 1.00 0.00 C ATOM 816 O ILE A 49 1.266 -8.389 5.410 1.00 0.00 O ATOM 817 CB ILE A 49 -0.632 -5.823 4.333 1.00 0.00 C ATOM 818 CG1 ILE A 49 -2.053 -5.285 4.443 1.00 0.00 C ATOM 819 CG2 ILE A 49 -0.606 -6.831 3.180 1.00 0.00 C ATOM 820 CD1 ILE A 49 -2.373 -4.434 3.212 1.00 0.00 C ATOM 0 H ILE A 49 -0.378 -4.623 6.485 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.987 -7.306 5.851 1.00 0.00 H new ATOM 0 HB ILE A 49 0.072 -5.011 4.152 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.761 -6.110 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.158 -4.688 5.349 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.879 -6.329 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 49 0.396 -7.249 3.085 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.316 -7.633 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.390 -4.049 3.290 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.673 -3.601 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.285 -5.046 2.314 1.00 0.00 H new ATOM 832 N ALA A 50 2.159 -6.323 5.524 1.00 0.00 N ATOM 833 CA ALA A 50 3.533 -6.778 5.354 1.00 0.00 C ATOM 834 C ALA A 50 3.948 -7.710 6.477 1.00 0.00 C ATOM 835 O ALA A 50 4.522 -8.775 6.227 1.00 0.00 O ATOM 836 CB ALA A 50 4.491 -5.582 5.282 1.00 0.00 C ATOM 0 H ALA A 50 2.063 -5.316 5.658 1.00 0.00 H new ATOM 0 HA ALA A 50 3.585 -7.331 4.416 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.512 -5.941 5.155 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.221 -4.950 4.436 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.422 -5.004 6.204 1.00 0.00 H new ATOM 842 N TYR A 51 3.639 -7.331 7.718 1.00 0.00 N ATOM 843 CA TYR A 51 4.018 -8.172 8.848 1.00 0.00 C ATOM 844 C TYR A 51 3.389 -9.534 8.707 1.00 0.00 C ATOM 845 O TYR A 51 4.069 -10.550 8.816 1.00 0.00 O ATOM 846 CB TYR A 51 3.567 -7.568 10.182 1.00 0.00 C ATOM 847 CG TYR A 51 4.427 -6.388 10.576 1.00 0.00 C ATOM 848 CD1 TYR A 51 5.826 -6.479 10.534 1.00 0.00 C ATOM 849 CD2 TYR A 51 3.821 -5.205 11.004 1.00 0.00 C ATOM 850 CE1 TYR A 51 6.606 -5.387 10.920 1.00 0.00 C ATOM 851 CE2 TYR A 51 4.600 -4.120 11.386 1.00 0.00 C ATOM 852 CZ TYR A 51 5.989 -4.208 11.346 1.00 0.00 C ATOM 853 OH TYR A 51 6.753 -3.129 11.729 1.00 0.00 O ATOM 0 H TYR A 51 3.142 -6.473 7.960 1.00 0.00 H new ATOM 0 HA TYR A 51 5.105 -8.247 8.845 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.527 -7.252 10.106 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.613 -8.329 10.961 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.299 -7.392 10.204 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.744 -5.133 11.038 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.684 -5.454 10.889 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.127 -3.206 11.715 1.00 0.00 H new ATOM 0 HH TYR A 51 6.166 -2.391 11.996 1.00 0.00 H new ATOM 863 N TYR A 52 2.099 -9.564 8.432 1.00 0.00 N ATOM 864 CA TYR A 52 1.423 -10.828 8.229 1.00 0.00 C ATOM 865 C TYR A 52 1.997 -11.523 7.011 1.00 0.00 C ATOM 866 O TYR A 52 2.317 -12.710 7.038 1.00 0.00 O ATOM 867 CB TYR A 52 -0.089 -10.649 8.099 1.00 0.00 C ATOM 868 CG TYR A 52 -0.726 -11.989 7.803 1.00 0.00 C ATOM 869 CD1 TYR A 52 -0.698 -13.001 8.766 1.00 0.00 C ATOM 870 CD2 TYR A 52 -1.338 -12.220 6.561 1.00 0.00 C ATOM 871 CE1 TYR A 52 -1.282 -14.241 8.497 1.00 0.00 C ATOM 872 CE2 TYR A 52 -1.919 -13.462 6.296 1.00 0.00 C ATOM 873 CZ TYR A 52 -1.897 -14.472 7.262 1.00 0.00 C ATOM 874 OH TYR A 52 -2.477 -15.691 6.997 1.00 0.00 O ATOM 0 H TYR A 52 1.506 -8.739 8.345 1.00 0.00 H new ATOM 0 HA TYR A 52 1.592 -11.451 9.107 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.498 -10.234 9.020 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.316 -9.941 7.302 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.224 -12.824 9.720 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.359 -11.441 5.814 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -1.259 -15.022 9.243 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.388 -13.643 5.340 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.226 -15.569 6.377 1.00 0.00 H new ATOM 884 N LEU A 53 2.166 -10.757 5.957 1.00 0.00 N ATOM 885 CA LEU A 53 2.720 -11.262 4.718 1.00 0.00 C ATOM 886 C LEU A 53 4.133 -11.765 4.853 1.00 0.00 C ATOM 887 O LEU A 53 4.539 -12.657 4.099 1.00 0.00 O ATOM 888 CB LEU A 53 2.601 -10.248 3.576 1.00 0.00 C ATOM 889 CG LEU A 53 1.299 -10.484 2.802 1.00 0.00 C ATOM 890 CD1 LEU A 53 1.516 -11.699 1.915 1.00 0.00 C ATOM 891 CD2 LEU A 53 0.135 -10.788 3.756 1.00 0.00 C ATOM 0 H LEU A 53 1.924 -9.766 5.933 1.00 0.00 H new ATOM 0 HA LEU A 53 2.109 -12.127 4.463 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.618 -9.234 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.455 -10.341 2.905 1.00 0.00 H new ATOM 0 HG LEU A 53 1.051 -9.591 2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.609 -11.901 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.340 -11.506 1.228 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.755 -12.564 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.775 -10.951 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.363 -11.683 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.010 -9.946 4.433 1.00 0.00 H new ATOM 903 N ASN A 54 4.933 -11.105 5.668 1.00 0.00 N ATOM 904 CA ASN A 54 6.358 -11.429 5.738 1.00 0.00 C ATOM 905 C ASN A 54 6.991 -11.091 4.405 1.00 0.00 C ATOM 906 O ASN A 54 7.758 -11.878 3.842 1.00 0.00 O ATOM 907 CB ASN A 54 6.575 -12.927 6.047 1.00 0.00 C ATOM 908 CG ASN A 54 6.242 -13.244 7.499 1.00 0.00 C ATOM 909 OD1 ASN A 54 6.772 -14.200 8.060 1.00 0.00 O ATOM 910 ND2 ASN A 54 5.398 -12.510 8.150 1.00 0.00 N ATOM 0 H ASN A 54 4.633 -10.351 6.286 1.00 0.00 H new ATOM 0 HA ASN A 54 6.816 -10.851 6.541 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.951 -13.531 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.611 -13.197 5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.177 -12.727 9.122 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.954 -11.715 7.691 1.00 0.00 H new ATOM 917 N THR A 55 6.537 -9.987 3.841 1.00 0.00 N ATOM 918 CA THR A 55 6.946 -9.535 2.525 1.00 0.00 C ATOM 919 C THR A 55 7.353 -8.067 2.601 1.00 0.00 C ATOM 920 O THR A 55 6.771 -7.307 3.386 1.00 0.00 O ATOM 921 CB THR A 55 5.755 -9.688 1.570 1.00 0.00 C ATOM 922 OG1 THR A 55 5.333 -11.043 1.554 1.00 0.00 O ATOM 923 CG2 THR A 55 6.128 -9.244 0.153 1.00 0.00 C ATOM 0 H THR A 55 5.862 -9.369 4.292 1.00 0.00 H new ATOM 0 HA THR A 55 7.791 -10.123 2.168 1.00 0.00 H new ATOM 0 HB THR A 55 4.943 -9.053 1.923 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.099 -11.302 0.638 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.266 -9.363 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.432 -8.197 0.168 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.952 -9.856 -0.215 1.00 0.00 H new ATOM 931 N PRO A 56 8.291 -7.631 1.790 1.00 0.00 N ATOM 932 CA PRO A 56 8.693 -6.194 1.754 1.00 0.00 C ATOM 933 C PRO A 56 7.505 -5.319 1.377 1.00 0.00 C ATOM 934 O PRO A 56 6.671 -5.712 0.552 1.00 0.00 O ATOM 935 CB PRO A 56 9.767 -6.143 0.662 1.00 0.00 C ATOM 936 CG PRO A 56 10.277 -7.544 0.557 1.00 0.00 C ATOM 937 CD PRO A 56 9.072 -8.439 0.826 1.00 0.00 C ATOM 0 HA PRO A 56 9.051 -5.829 2.717 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.350 -5.802 -0.286 1.00 0.00 H new ATOM 0 HB3 PRO A 56 10.566 -5.451 0.926 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.695 -7.736 -0.431 1.00 0.00 H new ATOM 0 HG3 PRO A 56 11.071 -7.728 1.281 1.00 0.00 H new ATOM 0 HD2 PRO A 56 8.507 -8.646 -0.083 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.365 -9.402 1.245 1.00 0.00 H new ATOM 945 N LEU A 57 7.428 -4.149 1.979 1.00 0.00 N ATOM 946 CA LEU A 57 6.316 -3.250 1.736 1.00 0.00 C ATOM 947 C LEU A 57 6.300 -2.862 0.261 1.00 0.00 C ATOM 948 O LEU A 57 5.248 -2.895 -0.391 1.00 0.00 O ATOM 949 CB LEU A 57 6.465 -1.988 2.606 1.00 0.00 C ATOM 950 CG LEU A 57 5.091 -1.362 2.930 1.00 0.00 C ATOM 951 CD1 LEU A 57 4.204 -1.289 1.680 1.00 0.00 C ATOM 952 CD2 LEU A 57 4.396 -2.196 4.011 1.00 0.00 C ATOM 0 H LEU A 57 8.121 -3.798 2.640 1.00 0.00 H new ATOM 0 HA LEU A 57 5.381 -3.748 1.993 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.979 -2.242 3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.086 -1.258 2.087 1.00 0.00 H new ATOM 0 HG LEU A 57 5.251 -0.345 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.244 -0.844 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.693 -0.678 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.044 -2.294 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.426 -1.756 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.256 -3.215 3.651 1.00 0.00 H new ATOM 0 HD23 LEU A 57 5.011 -2.211 4.911 1.00 0.00 H new ATOM 964 N GLU A 58 7.484 -2.551 -0.266 1.00 0.00 N ATOM 965 CA GLU A 58 7.625 -2.136 -1.649 1.00 0.00 C ATOM 966 C GLU A 58 7.035 -3.167 -2.591 1.00 0.00 C ATOM 967 O GLU A 58 6.485 -2.821 -3.643 1.00 0.00 O ATOM 968 CB GLU A 58 9.099 -1.891 -2.008 1.00 0.00 C ATOM 969 CG GLU A 58 9.638 -0.662 -1.250 1.00 0.00 C ATOM 970 CD GLU A 58 10.238 -1.069 0.078 1.00 0.00 C ATOM 971 OE1 GLU A 58 9.510 -1.539 0.924 1.00 0.00 O ATOM 972 OE2 GLU A 58 11.437 -0.911 0.236 1.00 0.00 O ATOM 0 H GLU A 58 8.361 -2.581 0.254 1.00 0.00 H new ATOM 0 HA GLU A 58 7.077 -1.201 -1.763 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.692 -2.770 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.198 -1.736 -3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 58 10.392 -0.158 -1.855 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.831 0.052 -1.086 1.00 0.00 H new ATOM 979 N ASP A 59 7.180 -4.439 -2.248 1.00 0.00 N ATOM 980 CA ASP A 59 6.646 -5.489 -3.104 1.00 0.00 C ATOM 981 C ASP A 59 5.150 -5.303 -3.198 1.00 0.00 C ATOM 982 O ASP A 59 4.563 -5.310 -4.284 1.00 0.00 O ATOM 983 CB ASP A 59 6.909 -6.881 -2.487 1.00 0.00 C ATOM 984 CG ASP A 59 7.165 -7.907 -3.572 1.00 0.00 C ATOM 985 OD1 ASP A 59 8.172 -7.792 -4.236 1.00 0.00 O ATOM 986 OD2 ASP A 59 6.373 -8.810 -3.721 1.00 0.00 O ATOM 0 H ASP A 59 7.651 -4.764 -1.404 1.00 0.00 H new ATOM 0 HA ASP A 59 7.125 -5.429 -4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 59 7.767 -6.831 -1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 59 6.052 -7.186 -1.886 1.00 0.00 H new ATOM 991 N ILE A 60 4.544 -5.202 -2.023 1.00 0.00 N ATOM 992 CA ILE A 60 3.116 -5.102 -1.889 1.00 0.00 C ATOM 993 C ILE A 60 2.610 -3.766 -2.429 1.00 0.00 C ATOM 994 O ILE A 60 1.724 -3.726 -3.295 1.00 0.00 O ATOM 995 CB ILE A 60 2.758 -5.255 -0.398 1.00 0.00 C ATOM 996 CG1 ILE A 60 3.380 -6.550 0.155 1.00 0.00 C ATOM 997 CG2 ILE A 60 1.257 -5.402 -0.271 1.00 0.00 C ATOM 998 CD1 ILE A 60 3.258 -6.560 1.681 1.00 0.00 C ATOM 0 H ILE A 60 5.044 -5.188 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 60 2.637 -5.890 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 60 3.126 -4.385 0.146 1.00 0.00 H new ATOM 0 HG12 ILE A 60 2.875 -7.419 -0.267 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.428 -6.617 -0.138 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.990 -5.511 0.780 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.769 -4.517 -0.679 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.930 -6.284 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 60 3.698 -7.476 2.075 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.783 -5.699 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.206 -6.512 1.962 1.00 0.00 H new ATOM 1010 N PHE A 61 3.238 -2.693 -1.988 1.00 0.00 N ATOM 1011 CA PHE A 61 2.931 -1.348 -2.457 1.00 0.00 C ATOM 1012 C PHE A 61 4.211 -0.580 -2.610 1.00 0.00 C ATOM 1013 O PHE A 61 5.117 -0.731 -1.811 1.00 0.00 O ATOM 1014 CB PHE A 61 2.017 -0.620 -1.466 1.00 0.00 C ATOM 1015 CG PHE A 61 0.658 -1.279 -1.435 1.00 0.00 C ATOM 1016 CD1 PHE A 61 0.408 -2.328 -0.543 1.00 0.00 C ATOM 1017 CD2 PHE A 61 -0.352 -0.838 -2.297 1.00 0.00 C ATOM 1018 CE1 PHE A 61 -0.852 -2.935 -0.514 1.00 0.00 C ATOM 1019 CE2 PHE A 61 -1.611 -1.447 -2.267 1.00 0.00 C ATOM 1020 CZ PHE A 61 -1.863 -2.493 -1.376 1.00 0.00 C ATOM 0 H PHE A 61 3.981 -2.726 -1.290 1.00 0.00 H new ATOM 0 HA PHE A 61 2.415 -1.419 -3.414 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.461 -0.636 -0.470 1.00 0.00 H new ATOM 0 HB3 PHE A 61 1.916 0.427 -1.753 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.187 -2.669 0.123 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -0.160 -0.028 -2.985 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.045 -3.745 0.174 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.390 -1.108 -2.934 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.836 -2.960 -1.352 1.00 0.00 H new