USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 398 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 848 MET CE :methyl -153:sc= -0.423 (180deg=-1.88!) USER MOD Set 1.2: A 872 GLN : amide:sc= -0.0413 X(o=-0.46,f=-0.44) USER MOD Set 2.1: A 830 ASN : amide:sc= 0 X(o=-0.33,f=-0.52) USER MOD Set 2.2: A 833 MET CE :methyl 156:sc= -0.328 (180deg=-1.16) USER MOD Set 3.1: A 828 TYR OH : rot -165:sc= -0.049! USER MOD Set 3.2: A 863 HIS : no HD1:sc= -1.56! C(o=-1.6!,f=-18!) USER MOD Set 4.1: A 818 GLN : amide:sc= -2.18! C(o=-1.1!,f=-2.6!) USER MOD Set 4.2: A 822 SER OG : rot 74:sc= 1.12 USER MOD Single : A 815 THR OG1 : rot -26:sc= 0.867 USER MOD Single : A 827 GLN : amide:sc= 0.621 K(o=0.62,f=-0.86) USER MOD Single : A 831 HIS : no HD1:sc= -2.82! C(o=-2.8!,f=-6.4!) USER MOD Single : A 835 ASN : amide:sc= -0.641 K(o=-0.64,f=-2) USER MOD Single : A 839 ASN : amide:sc= -4.46! C(o=-4.5!,f=-16!) USER MOD Single : A 841 GLN : amide:sc= -0.929! X(o=-0.93!,f=-0.86) USER MOD Single : A 843 MET CE :methyl 156:sc= -0.175 (180deg=-1.08) USER MOD Single : A 845 SER OG : rot 70:sc= 1.1 USER MOD Single : A 846 ASN : amide:sc= -1 K(o=-1,f=-2.6!) USER MOD Single : A 851 GLN : amide:sc= -1.71! K(o=-1.7!,f=-0.054) USER MOD Single : A 860 ASN : amide:sc=-0.00101 X(o=-0.001,f=-0.13) USER MOD Single : A 861 SER OG : rot 180:sc= 0.173 USER MOD Single : A 865 GLN : amide:sc= -2.08 K(o=-2.1,f=-3.9) USER MOD Single : A 869 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 815 -10.289 -6.088 0.479 1.00 0.00 N ATOM 18 CA THR A 815 -10.071 -5.074 -0.532 1.00 0.00 C ATOM 19 C THR A 815 -9.195 -3.951 0.018 1.00 0.00 C ATOM 20 O THR A 815 -8.968 -3.860 1.236 1.00 0.00 O ATOM 21 CB THR A 815 -11.425 -4.519 -0.985 1.00 0.00 C ATOM 22 OG1 THR A 815 -12.418 -4.882 -0.025 1.00 0.00 O ATOM 23 CG2 THR A 815 -11.797 -5.112 -2.345 1.00 0.00 C ATOM 0 HA THR A 815 -9.556 -5.518 -1.384 1.00 0.00 H new ATOM 0 HB THR A 815 -11.366 -3.434 -1.070 1.00 0.00 H new ATOM 0 HG1 THR A 815 -12.143 -5.702 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 815 -12.761 -4.715 -2.664 1.00 0.00 H new ATOM 0 HG22 THR A 815 -11.035 -4.847 -3.078 1.00 0.00 H new ATOM 0 HG23 THR A 815 -11.861 -6.197 -2.264 1.00 0.00 H new ATOM 30 N VAL A 816 -8.669 -3.120 -0.876 1.00 0.00 N ATOM 31 CA VAL A 816 -7.810 -2.029 -0.467 1.00 0.00 C ATOM 32 C VAL A 816 -8.586 -1.050 0.410 1.00 0.00 C ATOM 33 O VAL A 816 -9.150 -0.068 -0.070 1.00 0.00 O ATOM 34 CB VAL A 816 -7.236 -1.313 -1.693 1.00 0.00 C ATOM 35 CG1 VAL A 816 -6.195 -2.212 -2.371 1.00 0.00 C ATOM 36 CG2 VAL A 816 -8.359 -1.001 -2.689 1.00 0.00 C ATOM 0 H VAL A 816 -8.825 -3.185 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 816 -6.981 -2.434 0.113 1.00 0.00 H new ATOM 0 HB VAL A 816 -6.767 -0.382 -1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 816 -5.787 -1.702 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 816 -5.390 -2.430 -1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 816 -6.667 -3.144 -2.683 1.00 0.00 H new ATOM 0 HG21 VAL A 816 -7.943 -0.492 -3.558 1.00 0.00 H new ATOM 0 HG22 VAL A 816 -8.833 -1.930 -3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 816 -9.100 -0.359 -2.213 1.00 0.00 H new ATOM 46 N GLY A 817 -8.645 -1.365 1.682 1.00 0.00 N ATOM 47 CA GLY A 817 -9.368 -0.565 2.654 1.00 0.00 C ATOM 48 C GLY A 817 -9.289 -1.230 4.006 1.00 0.00 C ATOM 49 O GLY A 817 -8.587 -0.759 4.897 1.00 0.00 O ATOM 0 H GLY A 817 -8.191 -2.188 2.079 1.00 0.00 H new ATOM 0 HA2 GLY A 817 -8.944 0.438 2.704 1.00 0.00 H new ATOM 0 HA3 GLY A 817 -10.409 -0.456 2.350 1.00 0.00 H new ATOM 53 N GLN A 818 -9.930 -2.389 4.125 1.00 0.00 N ATOM 54 CA GLN A 818 -9.869 -3.159 5.357 1.00 0.00 C ATOM 55 C GLN A 818 -8.422 -3.332 5.760 1.00 0.00 C ATOM 56 O GLN A 818 -8.054 -3.120 6.915 1.00 0.00 O ATOM 57 CB GLN A 818 -10.524 -4.535 5.147 1.00 0.00 C ATOM 58 CG GLN A 818 -10.017 -5.540 6.197 1.00 0.00 C ATOM 59 CD GLN A 818 -8.751 -6.234 5.693 1.00 0.00 C ATOM 60 OE1 GLN A 818 -8.708 -6.693 4.546 1.00 0.00 O ATOM 61 NE2 GLN A 818 -7.712 -6.325 6.468 1.00 0.00 N ATOM 0 H GLN A 818 -10.493 -2.811 3.387 1.00 0.00 H new ATOM 0 HA GLN A 818 -10.407 -2.632 6.145 1.00 0.00 H new ATOM 0 HB2 GLN A 818 -11.608 -4.443 5.217 1.00 0.00 H new ATOM 0 HB3 GLN A 818 -10.299 -4.902 4.146 1.00 0.00 H new ATOM 0 HG2 GLN A 818 -9.809 -5.024 7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 818 -10.789 -6.281 6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 818 -7.747 -5.946 7.414 1.00 0.00 H new ATOM 0 HE22 GLN A 818 -6.861 -6.775 6.130 1.00 0.00 H new ATOM 70 N TRP A 819 -7.600 -3.692 4.792 1.00 0.00 N ATOM 71 CA TRP A 819 -6.180 -3.857 5.025 1.00 0.00 C ATOM 72 C TRP A 819 -5.602 -2.566 5.582 1.00 0.00 C ATOM 73 O TRP A 819 -5.003 -2.551 6.659 1.00 0.00 O ATOM 74 CB TRP A 819 -5.481 -4.223 3.714 1.00 0.00 C ATOM 75 CG TRP A 819 -4.026 -4.445 3.959 1.00 0.00 C ATOM 76 CD1 TRP A 819 -3.505 -5.469 4.670 1.00 0.00 C ATOM 77 CD2 TRP A 819 -2.899 -3.650 3.502 1.00 0.00 C ATOM 78 NE1 TRP A 819 -2.130 -5.349 4.676 1.00 0.00 N ATOM 79 CE2 TRP A 819 -1.709 -4.246 3.970 1.00 0.00 C ATOM 80 CE3 TRP A 819 -2.794 -2.474 2.732 1.00 0.00 C ATOM 81 CZ2 TRP A 819 -0.464 -3.708 3.689 1.00 0.00 C ATOM 82 CZ3 TRP A 819 -1.531 -1.927 2.446 1.00 0.00 C ATOM 83 CH2 TRP A 819 -0.369 -2.547 2.926 1.00 0.00 C ATOM 0 H TRP A 819 -7.895 -3.876 3.833 1.00 0.00 H new ATOM 0 HA TRP A 819 -6.021 -4.659 5.746 1.00 0.00 H new ATOM 0 HB2 TRP A 819 -5.929 -5.123 3.292 1.00 0.00 H new ATOM 0 HB3 TRP A 819 -5.618 -3.426 2.984 1.00 0.00 H new ATOM 0 HD1 TRP A 819 -4.071 -6.252 5.154 1.00 0.00 H new ATOM 0 HE1 TRP A 819 -1.502 -6.000 5.147 1.00 0.00 H new ATOM 0 HE3 TRP A 819 -3.686 -1.992 2.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 819 0.430 -4.187 4.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 819 -1.456 -1.026 1.855 1.00 0.00 H new ATOM 0 HH2 TRP A 819 0.600 -2.124 2.704 1.00 0.00 H new ATOM 89 N LEU A 820 -5.838 -1.475 4.864 1.00 0.00 N ATOM 90 CA LEU A 820 -5.383 -0.166 5.297 1.00 0.00 C ATOM 91 C LEU A 820 -5.868 0.113 6.711 1.00 0.00 C ATOM 92 O LEU A 820 -5.091 0.521 7.577 1.00 0.00 O ATOM 93 CB LEU A 820 -5.894 0.910 4.337 1.00 0.00 C ATOM 94 CG LEU A 820 -5.274 0.687 2.948 1.00 0.00 C ATOM 95 CD1 LEU A 820 -6.038 1.496 1.906 1.00 0.00 C ATOM 96 CD2 LEU A 820 -3.810 1.131 2.963 1.00 0.00 C ATOM 0 H LEU A 820 -6.343 -1.474 3.978 1.00 0.00 H new ATOM 0 HA LEU A 820 -4.293 -0.149 5.292 1.00 0.00 H new ATOM 0 HB2 LEU A 820 -6.981 0.870 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 820 -5.633 1.900 4.710 1.00 0.00 H new ATOM 0 HG LEU A 820 -5.332 -0.372 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 820 -5.595 1.335 0.923 1.00 0.00 H new ATOM 0 HD12 LEU A 820 -7.080 1.178 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 820 -5.986 2.555 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 820 -3.372 0.972 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 820 -3.753 2.189 3.219 1.00 0.00 H new ATOM 0 HD23 LEU A 820 -3.261 0.548 3.703 1.00 0.00 H new ATOM 108 N GLU A 821 -7.140 -0.159 6.960 1.00 0.00 N ATOM 109 CA GLU A 821 -7.692 0.014 8.293 1.00 0.00 C ATOM 110 C GLU A 821 -6.951 -0.882 9.267 1.00 0.00 C ATOM 111 O GLU A 821 -6.500 -0.439 10.322 1.00 0.00 O ATOM 112 CB GLU A 821 -9.182 -0.344 8.319 1.00 0.00 C ATOM 113 CG GLU A 821 -9.914 0.340 7.162 1.00 0.00 C ATOM 114 CD GLU A 821 -11.092 1.130 7.691 1.00 0.00 C ATOM 115 OE1 GLU A 821 -11.895 0.552 8.394 1.00 0.00 O ATOM 116 OE2 GLU A 821 -11.178 2.295 7.393 1.00 0.00 O ATOM 0 H GLU A 821 -7.803 -0.497 6.263 1.00 0.00 H new ATOM 0 HA GLU A 821 -7.577 1.059 8.579 1.00 0.00 H new ATOM 0 HB2 GLU A 821 -9.304 -1.425 8.247 1.00 0.00 H new ATOM 0 HB3 GLU A 821 -9.620 -0.036 9.268 1.00 0.00 H new ATOM 0 HG2 GLU A 821 -9.231 1.002 6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 821 -10.258 -0.406 6.446 1.00 0.00 H new ATOM 119 N SER A 822 -6.824 -2.144 8.899 1.00 0.00 N ATOM 120 CA SER A 822 -6.145 -3.116 9.735 1.00 0.00 C ATOM 121 C SER A 822 -4.759 -2.614 10.130 1.00 0.00 C ATOM 122 O SER A 822 -4.377 -2.683 11.303 1.00 0.00 O ATOM 123 CB SER A 822 -6.042 -4.459 9.007 1.00 0.00 C ATOM 124 OG SER A 822 -7.321 -4.793 8.442 1.00 0.00 O ATOM 0 H SER A 822 -7.184 -2.521 8.022 1.00 0.00 H new ATOM 0 HA SER A 822 -6.728 -3.256 10.646 1.00 0.00 H new ATOM 0 HB2 SER A 822 -5.288 -4.403 8.222 1.00 0.00 H new ATOM 0 HB3 SER A 822 -5.723 -5.238 9.700 1.00 0.00 H new ATOM 0 HG SER A 822 -7.489 -4.230 7.658 1.00 0.00 H new ATOM 130 N ILE A 823 -4.022 -2.079 9.160 1.00 0.00 N ATOM 131 CA ILE A 823 -2.692 -1.542 9.438 1.00 0.00 C ATOM 132 C ILE A 823 -2.786 -0.109 9.972 1.00 0.00 C ATOM 133 O ILE A 823 -1.772 0.563 10.165 1.00 0.00 O ATOM 134 CB ILE A 823 -1.809 -1.594 8.178 1.00 0.00 C ATOM 135 CG1 ILE A 823 -2.329 -0.602 7.134 1.00 0.00 C ATOM 136 CG2 ILE A 823 -1.837 -3.008 7.587 1.00 0.00 C ATOM 137 CD1 ILE A 823 -1.447 -0.664 5.884 1.00 0.00 C ATOM 0 H ILE A 823 -4.318 -2.006 8.187 1.00 0.00 H new ATOM 0 HA ILE A 823 -2.229 -2.163 10.205 1.00 0.00 H new ATOM 0 HB ILE A 823 -0.787 -1.330 8.451 1.00 0.00 H new ATOM 0 HG12 ILE A 823 -3.361 -0.838 6.875 1.00 0.00 H new ATOM 0 HG13 ILE A 823 -2.326 0.408 7.544 1.00 0.00 H new ATOM 0 HG21 ILE A 823 -1.211 -3.042 6.695 1.00 0.00 H new ATOM 0 HG22 ILE A 823 -1.459 -3.718 8.323 1.00 0.00 H new ATOM 0 HG23 ILE A 823 -2.861 -3.271 7.322 1.00 0.00 H new ATOM 0 HD11 ILE A 823 -1.818 0.042 5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 823 -0.422 -0.407 6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 823 -1.473 -1.672 5.470 1.00 0.00 H new ATOM 148 N GLY A 824 -4.002 0.344 10.223 1.00 0.00 N ATOM 149 CA GLY A 824 -4.220 1.681 10.757 1.00 0.00 C ATOM 150 C GLY A 824 -3.788 2.760 9.772 1.00 0.00 C ATOM 151 O GLY A 824 -3.269 3.801 10.174 1.00 0.00 O ATOM 0 H GLY A 824 -4.855 -0.193 10.066 1.00 0.00 H new ATOM 0 HA2 GLY A 824 -5.276 1.809 10.997 1.00 0.00 H new ATOM 0 HA3 GLY A 824 -3.665 1.796 11.688 1.00 0.00 H new ATOM 155 N LEU A 825 -4.035 2.527 8.488 1.00 0.00 N ATOM 156 CA LEU A 825 -3.703 3.511 7.455 1.00 0.00 C ATOM 157 C LEU A 825 -4.891 3.738 6.517 1.00 0.00 C ATOM 158 O LEU A 825 -4.715 3.857 5.301 1.00 0.00 O ATOM 159 CB LEU A 825 -2.490 3.050 6.639 1.00 0.00 C ATOM 160 CG LEU A 825 -1.221 3.096 7.500 1.00 0.00 C ATOM 161 CD1 LEU A 825 -0.035 2.595 6.677 1.00 0.00 C ATOM 162 CD2 LEU A 825 -0.948 4.537 7.950 1.00 0.00 C ATOM 0 H LEU A 825 -4.462 1.671 8.135 1.00 0.00 H new ATOM 0 HA LEU A 825 -3.462 4.449 7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 825 -2.653 2.036 6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 825 -2.368 3.689 5.764 1.00 0.00 H new ATOM 0 HG LEU A 825 -1.359 2.464 8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 825 0.869 2.626 7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 825 -0.222 1.570 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 825 0.095 3.231 5.801 1.00 0.00 H new ATOM 0 HD21 LEU A 825 -0.046 4.563 8.561 1.00 0.00 H new ATOM 0 HD22 LEU A 825 -0.812 5.172 7.075 1.00 0.00 H new ATOM 0 HD23 LEU A 825 -1.792 4.902 8.535 1.00 0.00 H new ATOM 174 N PRO A 826 -6.089 3.808 7.049 1.00 0.00 N ATOM 175 CA PRO A 826 -7.311 4.025 6.222 1.00 0.00 C ATOM 176 C PRO A 826 -7.347 5.436 5.659 1.00 0.00 C ATOM 177 O PRO A 826 -7.322 6.406 6.417 1.00 0.00 O ATOM 178 CB PRO A 826 -8.456 3.809 7.205 1.00 0.00 C ATOM 179 CG PRO A 826 -7.879 4.101 8.552 1.00 0.00 C ATOM 180 CD PRO A 826 -6.408 3.699 8.482 1.00 0.00 C ATOM 0 HA PRO A 826 -7.357 3.359 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 826 -9.294 4.470 6.984 1.00 0.00 H new ATOM 0 HB3 PRO A 826 -8.833 2.788 7.152 1.00 0.00 H new ATOM 0 HG2 PRO A 826 -7.982 5.158 8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 826 -8.399 3.540 9.328 1.00 0.00 H new ATOM 0 HD2 PRO A 826 -5.783 4.359 9.084 1.00 0.00 H new ATOM 0 HD3 PRO A 826 -6.251 2.686 8.852 1.00 0.00 H new ATOM 188 N GLN A 827 -7.424 5.533 4.338 1.00 0.00 N ATOM 189 CA GLN A 827 -7.468 6.814 3.615 1.00 0.00 C ATOM 190 C GLN A 827 -6.867 6.642 2.232 1.00 0.00 C ATOM 191 O GLN A 827 -6.978 7.529 1.384 1.00 0.00 O ATOM 192 CB GLN A 827 -6.690 7.921 4.355 1.00 0.00 C ATOM 193 CG GLN A 827 -5.242 7.468 4.607 1.00 0.00 C ATOM 194 CD GLN A 827 -4.744 8.029 5.929 1.00 0.00 C ATOM 195 OE1 GLN A 827 -3.966 8.986 5.946 1.00 0.00 O ATOM 196 NE2 GLN A 827 -5.157 7.506 7.037 1.00 0.00 N ATOM 0 H GLN A 827 -7.458 4.719 3.724 1.00 0.00 H new ATOM 0 HA GLN A 827 -8.514 7.113 3.548 1.00 0.00 H new ATOM 0 HB2 GLN A 827 -6.696 8.837 3.765 1.00 0.00 H new ATOM 0 HB3 GLN A 827 -7.178 8.149 5.302 1.00 0.00 H new ATOM 0 HG2 GLN A 827 -5.190 6.379 4.622 1.00 0.00 H new ATOM 0 HG3 GLN A 827 -4.600 7.806 3.794 1.00 0.00 H new ATOM 0 HE21 GLN A 827 -5.800 6.715 7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 827 -4.839 7.885 7.929 1.00 0.00 H new ATOM 205 N TYR A 828 -6.186 5.517 2.027 1.00 0.00 N ATOM 206 CA TYR A 828 -5.510 5.246 0.762 1.00 0.00 C ATOM 207 C TYR A 828 -6.293 4.245 -0.074 1.00 0.00 C ATOM 208 O TYR A 828 -5.892 3.913 -1.186 1.00 0.00 O ATOM 209 CB TYR A 828 -4.103 4.697 1.026 1.00 0.00 C ATOM 210 CG TYR A 828 -3.285 5.719 1.785 1.00 0.00 C ATOM 211 CD1 TYR A 828 -2.987 6.954 1.198 1.00 0.00 C ATOM 212 CD2 TYR A 828 -2.819 5.426 3.074 1.00 0.00 C ATOM 213 CE1 TYR A 828 -2.227 7.895 1.897 1.00 0.00 C ATOM 214 CE2 TYR A 828 -2.056 6.368 3.771 1.00 0.00 C ATOM 215 CZ TYR A 828 -1.761 7.603 3.181 1.00 0.00 C ATOM 216 OH TYR A 828 -1.006 8.530 3.868 1.00 0.00 O ATOM 0 H TYR A 828 -6.088 4.777 2.723 1.00 0.00 H new ATOM 0 HA TYR A 828 -5.442 6.183 0.210 1.00 0.00 H new ATOM 0 HB2 TYR A 828 -4.166 3.771 1.598 1.00 0.00 H new ATOM 0 HB3 TYR A 828 -3.614 4.456 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 828 -3.345 7.180 0.204 1.00 0.00 H new ATOM 0 HD2 TYR A 828 -3.049 4.474 3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 828 -2.000 8.849 1.444 1.00 0.00 H new ATOM 0 HE2 TYR A 828 -1.695 6.143 4.764 1.00 0.00 H new ATOM 0 HH TYR A 828 -0.564 8.095 4.627 1.00 0.00 H new ATOM 222 N GLU A 829 -7.396 3.763 0.475 1.00 0.00 N ATOM 223 CA GLU A 829 -8.245 2.789 -0.206 1.00 0.00 C ATOM 224 C GLU A 829 -8.391 3.131 -1.693 1.00 0.00 C ATOM 225 O GLU A 829 -7.736 2.524 -2.552 1.00 0.00 O ATOM 226 CB GLU A 829 -9.629 2.738 0.473 1.00 0.00 C ATOM 227 CG GLU A 829 -9.901 4.062 1.219 1.00 0.00 C ATOM 228 CD GLU A 829 -9.405 3.979 2.659 1.00 0.00 C ATOM 229 OE1 GLU A 829 -8.231 3.721 2.848 1.00 0.00 O ATOM 230 OE2 GLU A 829 -10.204 4.194 3.551 1.00 0.00 O ATOM 0 H GLU A 829 -7.730 4.032 1.400 1.00 0.00 H new ATOM 0 HA GLU A 829 -7.774 1.809 -0.133 1.00 0.00 H new ATOM 0 HB2 GLU A 829 -10.404 2.567 -0.274 1.00 0.00 H new ATOM 0 HB3 GLU A 829 -9.670 1.902 1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 829 -9.404 4.884 0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 829 -10.969 4.279 1.209 1.00 0.00 H new ATOM 233 N ASN A 830 -9.230 4.119 -1.990 1.00 0.00 N ATOM 234 CA ASN A 830 -9.426 4.547 -3.373 1.00 0.00 C ATOM 235 C ASN A 830 -8.091 4.921 -3.992 1.00 0.00 C ATOM 236 O ASN A 830 -7.833 4.631 -5.154 1.00 0.00 O ATOM 237 CB ASN A 830 -10.384 5.742 -3.441 1.00 0.00 C ATOM 238 CG ASN A 830 -10.350 6.373 -4.833 1.00 0.00 C ATOM 239 OD1 ASN A 830 -10.447 5.668 -5.842 1.00 0.00 O ATOM 240 ND2 ASN A 830 -10.227 7.660 -4.950 1.00 0.00 N ATOM 0 H ASN A 830 -9.779 4.633 -1.302 1.00 0.00 H new ATOM 0 HA ASN A 830 -9.865 3.720 -3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 830 -11.398 5.417 -3.206 1.00 0.00 H new ATOM 0 HB3 ASN A 830 -10.105 6.483 -2.692 1.00 0.00 H new ATOM 0 HD21 ASN A 830 -10.211 8.089 -5.875 1.00 0.00 H new ATOM 0 HD22 ASN A 830 -10.147 8.243 -4.117 1.00 0.00 H new ATOM 247 N HIS A 831 -7.240 5.548 -3.192 1.00 0.00 N ATOM 248 CA HIS A 831 -5.912 5.949 -3.644 1.00 0.00 C ATOM 249 C HIS A 831 -5.207 4.773 -4.312 1.00 0.00 C ATOM 250 O HIS A 831 -4.744 4.875 -5.456 1.00 0.00 O ATOM 251 CB HIS A 831 -5.084 6.442 -2.450 1.00 0.00 C ATOM 252 CG HIS A 831 -4.161 7.545 -2.882 1.00 0.00 C ATOM 253 ND1 HIS A 831 -3.897 8.644 -2.077 1.00 0.00 N ATOM 254 CD2 HIS A 831 -3.419 7.727 -4.018 1.00 0.00 C ATOM 255 CE1 HIS A 831 -3.024 9.427 -2.737 1.00 0.00 C ATOM 256 NE2 HIS A 831 -2.701 8.912 -3.924 1.00 0.00 N ATOM 0 H HIS A 831 -7.445 5.791 -2.223 1.00 0.00 H new ATOM 0 HA HIS A 831 -6.014 6.757 -4.369 1.00 0.00 H new ATOM 0 HB2 HIS A 831 -5.746 6.799 -1.661 1.00 0.00 H new ATOM 0 HB3 HIS A 831 -4.507 5.617 -2.032 1.00 0.00 H new ATOM 0 HD2 HIS A 831 -3.396 7.051 -4.860 1.00 0.00 H new ATOM 0 HE1 HIS A 831 -2.633 10.358 -2.353 1.00 0.00 H new ATOM 0 HE2 HIS A 831 -2.062 9.305 -4.616 1.00 0.00 H new ATOM 261 N LEU A 832 -5.152 3.649 -3.608 1.00 0.00 N ATOM 262 CA LEU A 832 -4.537 2.452 -4.144 1.00 0.00 C ATOM 263 C LEU A 832 -5.250 2.043 -5.420 1.00 0.00 C ATOM 264 O LEU A 832 -4.623 1.872 -6.474 1.00 0.00 O ATOM 265 CB LEU A 832 -4.609 1.315 -3.115 1.00 0.00 C ATOM 266 CG LEU A 832 -3.242 1.133 -2.440 1.00 0.00 C ATOM 267 CD1 LEU A 832 -3.048 2.207 -1.370 1.00 0.00 C ATOM 268 CD2 LEU A 832 -3.176 -0.250 -1.784 1.00 0.00 C ATOM 0 H LEU A 832 -5.527 3.546 -2.665 1.00 0.00 H new ATOM 0 HA LEU A 832 -3.490 2.656 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 832 -5.368 1.539 -2.365 1.00 0.00 H new ATOM 0 HB3 LEU A 832 -4.909 0.388 -3.604 1.00 0.00 H new ATOM 0 HG LEU A 832 -2.457 1.222 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 832 -2.077 2.074 -0.893 1.00 0.00 H new ATOM 0 HD12 LEU A 832 -3.094 3.193 -1.832 1.00 0.00 H new ATOM 0 HD13 LEU A 832 -3.835 2.120 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 832 -2.206 -0.379 -1.305 1.00 0.00 H new ATOM 0 HD22 LEU A 832 -3.964 -0.336 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 832 -3.311 -1.020 -2.544 1.00 0.00 H new ATOM 280 N MET A 833 -6.571 1.928 -5.334 1.00 0.00 N ATOM 281 CA MET A 833 -7.377 1.581 -6.494 1.00 0.00 C ATOM 282 C MET A 833 -7.053 2.512 -7.645 1.00 0.00 C ATOM 283 O MET A 833 -6.707 2.071 -8.739 1.00 0.00 O ATOM 284 CB MET A 833 -8.867 1.687 -6.159 1.00 0.00 C ATOM 285 CG MET A 833 -9.363 0.366 -5.575 1.00 0.00 C ATOM 286 SD MET A 833 -10.599 0.699 -4.293 1.00 0.00 S ATOM 287 CE MET A 833 -11.671 1.775 -5.279 1.00 0.00 C ATOM 0 H MET A 833 -7.103 2.070 -4.475 1.00 0.00 H new ATOM 0 HA MET A 833 -7.148 0.554 -6.780 1.00 0.00 H new ATOM 0 HB2 MET A 833 -9.032 2.495 -5.446 1.00 0.00 H new ATOM 0 HB3 MET A 833 -9.434 1.934 -7.057 1.00 0.00 H new ATOM 0 HG2 MET A 833 -9.797 -0.252 -6.362 1.00 0.00 H new ATOM 0 HG3 MET A 833 -8.528 -0.194 -5.154 1.00 0.00 H new ATOM 0 HE1 MET A 833 -12.680 1.760 -4.867 1.00 0.00 H new ATOM 0 HE2 MET A 833 -11.284 2.794 -5.256 1.00 0.00 H new ATOM 0 HE3 MET A 833 -11.695 1.419 -6.309 1.00 0.00 H new ATOM 297 N ALA A 834 -7.166 3.802 -7.387 1.00 0.00 N ATOM 298 CA ALA A 834 -6.881 4.810 -8.396 1.00 0.00 C ATOM 299 C ALA A 834 -5.543 4.532 -9.056 1.00 0.00 C ATOM 300 O ALA A 834 -5.443 4.476 -10.285 1.00 0.00 O ATOM 301 CB ALA A 834 -6.866 6.203 -7.766 1.00 0.00 C ATOM 0 H ALA A 834 -7.454 4.179 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 834 -7.665 4.771 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 834 -6.651 6.947 -8.533 1.00 0.00 H new ATOM 0 HB2 ALA A 834 -7.839 6.411 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 834 -6.097 6.245 -6.995 1.00 0.00 H new ATOM 307 N ASN A 835 -4.517 4.347 -8.239 1.00 0.00 N ATOM 308 CA ASN A 835 -3.180 4.068 -8.757 1.00 0.00 C ATOM 309 C ASN A 835 -3.113 2.677 -9.370 1.00 0.00 C ATOM 310 O ASN A 835 -2.084 2.284 -9.923 1.00 0.00 O ATOM 311 CB ASN A 835 -2.132 4.197 -7.648 1.00 0.00 C ATOM 312 CG ASN A 835 -0.772 4.506 -8.260 1.00 0.00 C ATOM 313 OD1 ASN A 835 -0.460 5.668 -8.522 1.00 0.00 O ATOM 314 ND2 ASN A 835 0.059 3.541 -8.505 1.00 0.00 N ATOM 0 H ASN A 835 -4.580 4.384 -7.222 1.00 0.00 H new ATOM 0 HA ASN A 835 -2.965 4.802 -9.534 1.00 0.00 H new ATOM 0 HB2 ASN A 835 -2.418 4.988 -6.955 1.00 0.00 H new ATOM 0 HB3 ASN A 835 -2.081 3.272 -7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 835 0.971 3.745 -8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 835 -0.199 2.578 -8.288 1.00 0.00 H new ATOM 321 N GLY A 836 -4.208 1.937 -9.273 1.00 0.00 N ATOM 322 CA GLY A 836 -4.271 0.585 -9.818 1.00 0.00 C ATOM 323 C GLY A 836 -3.552 -0.390 -8.906 1.00 0.00 C ATOM 324 O GLY A 836 -3.044 -1.424 -9.354 1.00 0.00 O ATOM 0 H GLY A 836 -5.068 2.249 -8.821 1.00 0.00 H new ATOM 0 HA2 GLY A 836 -5.311 0.282 -9.936 1.00 0.00 H new ATOM 0 HA3 GLY A 836 -3.819 0.565 -10.810 1.00 0.00 H new ATOM 328 N PHE A 837 -3.499 -0.053 -7.625 1.00 0.00 N ATOM 329 CA PHE A 837 -2.834 -0.889 -6.637 1.00 0.00 C ATOM 330 C PHE A 837 -3.854 -1.748 -5.904 1.00 0.00 C ATOM 331 O PHE A 837 -4.317 -1.391 -4.823 1.00 0.00 O ATOM 332 CB PHE A 837 -2.075 -0.005 -5.635 1.00 0.00 C ATOM 333 CG PHE A 837 -0.696 0.354 -6.176 1.00 0.00 C ATOM 334 CD1 PHE A 837 -0.444 0.341 -7.562 1.00 0.00 C ATOM 335 CD2 PHE A 837 0.327 0.705 -5.290 1.00 0.00 C ATOM 336 CE1 PHE A 837 0.826 0.679 -8.045 1.00 0.00 C ATOM 337 CE2 PHE A 837 1.594 1.041 -5.778 1.00 0.00 C ATOM 338 CZ PHE A 837 1.843 1.028 -7.155 1.00 0.00 C ATOM 0 H PHE A 837 -3.911 0.799 -7.245 1.00 0.00 H new ATOM 0 HA PHE A 837 -2.126 -1.543 -7.145 1.00 0.00 H new ATOM 0 HB2 PHE A 837 -2.644 0.904 -5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 837 -1.974 -0.528 -4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 837 -1.230 0.070 -8.252 1.00 0.00 H new ATOM 0 HD2 PHE A 837 0.139 0.717 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 837 1.019 0.670 -9.108 1.00 0.00 H new ATOM 0 HE2 PHE A 837 2.382 1.311 -5.091 1.00 0.00 H new ATOM 0 HZ PHE A 837 2.822 1.288 -7.529 1.00 0.00 H new ATOM 344 N ASP A 838 -4.214 -2.872 -6.507 1.00 0.00 N ATOM 345 CA ASP A 838 -5.190 -3.779 -5.913 1.00 0.00 C ATOM 346 C ASP A 838 -4.498 -4.981 -5.289 1.00 0.00 C ATOM 347 O ASP A 838 -3.310 -5.218 -5.524 1.00 0.00 O ATOM 348 CB ASP A 838 -6.193 -4.253 -6.974 1.00 0.00 C ATOM 349 CG ASP A 838 -7.125 -5.302 -6.391 1.00 0.00 C ATOM 350 OD1 ASP A 838 -7.657 -5.068 -5.320 1.00 0.00 O ATOM 351 OD2 ASP A 838 -7.293 -6.327 -7.012 1.00 0.00 O ATOM 0 H ASP A 838 -3.846 -3.179 -7.407 1.00 0.00 H new ATOM 0 HA ASP A 838 -5.724 -3.237 -5.132 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -6.773 -3.406 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -5.659 -4.667 -7.829 1.00 0.00 H new ATOM 354 N ASN A 839 -5.260 -5.747 -4.516 1.00 0.00 N ATOM 355 CA ASN A 839 -4.752 -6.948 -3.858 1.00 0.00 C ATOM 356 C ASN A 839 -3.487 -6.651 -3.062 1.00 0.00 C ATOM 357 O ASN A 839 -2.365 -6.906 -3.520 1.00 0.00 O ATOM 358 CB ASN A 839 -4.486 -8.054 -4.881 1.00 0.00 C ATOM 359 CG ASN A 839 -4.163 -9.361 -4.163 1.00 0.00 C ATOM 360 OD1 ASN A 839 -3.714 -9.350 -3.013 1.00 0.00 O ATOM 361 ND2 ASN A 839 -4.362 -10.493 -4.768 1.00 0.00 N ATOM 0 H ASN A 839 -6.244 -5.555 -4.328 1.00 0.00 H new ATOM 0 HA ASN A 839 -5.517 -7.291 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 839 -5.358 -8.187 -5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 839 -3.656 -7.770 -5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 839 -4.147 -11.370 -4.293 1.00 0.00 H new ATOM 0 HD22 ASN A 839 -4.733 -10.505 -5.718 1.00 0.00 H new ATOM 368 N VAL A 840 -3.677 -6.125 -1.864 1.00 0.00 N ATOM 369 CA VAL A 840 -2.567 -5.798 -0.986 1.00 0.00 C ATOM 370 C VAL A 840 -1.656 -7.013 -0.791 1.00 0.00 C ATOM 371 O VAL A 840 -0.425 -6.896 -0.833 1.00 0.00 O ATOM 372 CB VAL A 840 -3.098 -5.303 0.365 1.00 0.00 C ATOM 373 CG1 VAL A 840 -3.828 -3.971 0.167 1.00 0.00 C ATOM 374 CG2 VAL A 840 -4.081 -6.332 0.946 1.00 0.00 C ATOM 0 H VAL A 840 -4.596 -5.914 -1.475 1.00 0.00 H new ATOM 0 HA VAL A 840 -1.979 -5.004 -1.447 1.00 0.00 H new ATOM 0 HB VAL A 840 -2.262 -5.170 1.052 1.00 0.00 H new ATOM 0 HG11 VAL A 840 -4.206 -3.617 1.126 1.00 0.00 H new ATOM 0 HG12 VAL A 840 -3.137 -3.235 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 840 -4.661 -4.111 -0.522 1.00 0.00 H new ATOM 0 HG21 VAL A 840 -4.455 -5.976 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 840 -4.916 -6.467 0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 840 -3.570 -7.284 1.087 1.00 0.00 H new ATOM 384 N GLN A 841 -2.265 -8.180 -0.609 1.00 0.00 N ATOM 385 CA GLN A 841 -1.500 -9.405 -0.442 1.00 0.00 C ATOM 386 C GLN A 841 -0.636 -9.641 -1.666 1.00 0.00 C ATOM 387 O GLN A 841 0.579 -9.874 -1.556 1.00 0.00 O ATOM 388 CB GLN A 841 -2.435 -10.596 -0.218 1.00 0.00 C ATOM 389 CG GLN A 841 -1.734 -11.649 0.646 1.00 0.00 C ATOM 390 CD GLN A 841 -1.973 -13.035 0.072 1.00 0.00 C ATOM 391 OE1 GLN A 841 -3.117 -13.397 -0.218 1.00 0.00 O ATOM 392 NE2 GLN A 841 -0.971 -13.831 -0.115 1.00 0.00 N ATOM 0 H GLN A 841 -3.277 -8.301 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 841 -0.859 -9.302 0.434 1.00 0.00 H new ATOM 0 HB2 GLN A 841 -3.352 -10.264 0.269 1.00 0.00 H new ATOM 0 HB3 GLN A 841 -2.722 -11.030 -1.176 1.00 0.00 H new ATOM 0 HG2 GLN A 841 -0.664 -11.443 0.688 1.00 0.00 H new ATOM 0 HG3 GLN A 841 -2.108 -11.600 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 841 -0.027 -13.528 0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 841 -1.125 -14.762 -0.503 1.00 0.00 H new ATOM 401 N PHE A 842 -1.245 -9.532 -2.839 1.00 0.00 N ATOM 402 CA PHE A 842 -0.500 -9.676 -4.069 1.00 0.00 C ATOM 403 C PHE A 842 0.558 -8.607 -4.124 1.00 0.00 C ATOM 404 O PHE A 842 1.716 -8.896 -4.359 1.00 0.00 O ATOM 405 CB PHE A 842 -1.412 -9.564 -5.291 1.00 0.00 C ATOM 406 CG PHE A 842 -0.583 -9.680 -6.552 1.00 0.00 C ATOM 407 CD1 PHE A 842 -0.079 -10.924 -6.947 1.00 0.00 C ATOM 408 CD2 PHE A 842 -0.315 -8.542 -7.319 1.00 0.00 C ATOM 409 CE1 PHE A 842 0.692 -11.027 -8.109 1.00 0.00 C ATOM 410 CE2 PHE A 842 0.454 -8.648 -8.482 1.00 0.00 C ATOM 411 CZ PHE A 842 0.957 -9.890 -8.877 1.00 0.00 C ATOM 0 H PHE A 842 -2.241 -9.347 -2.958 1.00 0.00 H new ATOM 0 HA PHE A 842 -0.042 -10.665 -4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 842 -2.168 -10.349 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 842 -1.941 -8.611 -5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 842 -0.285 -11.804 -6.355 1.00 0.00 H new ATOM 0 HD2 PHE A 842 -0.702 -7.581 -7.013 1.00 0.00 H new ATOM 0 HE1 PHE A 842 1.083 -11.987 -8.413 1.00 0.00 H new ATOM 0 HE2 PHE A 842 0.659 -7.769 -9.075 1.00 0.00 H new ATOM 0 HZ PHE A 842 1.550 -9.971 -9.776 1.00 0.00 H new ATOM 417 N MET A 843 0.159 -7.366 -3.850 1.00 0.00 N ATOM 418 CA MET A 843 1.111 -6.260 -3.827 1.00 0.00 C ATOM 419 C MET A 843 2.348 -6.670 -3.043 1.00 0.00 C ATOM 420 O MET A 843 3.464 -6.668 -3.571 1.00 0.00 O ATOM 421 CB MET A 843 0.477 -5.025 -3.171 1.00 0.00 C ATOM 422 CG MET A 843 -0.184 -4.146 -4.235 1.00 0.00 C ATOM 423 SD MET A 843 -1.112 -2.815 -3.426 1.00 0.00 S ATOM 424 CE MET A 843 0.301 -1.960 -2.676 1.00 0.00 C ATOM 0 H MET A 843 -0.805 -7.104 -3.643 1.00 0.00 H new ATOM 0 HA MET A 843 1.389 -6.013 -4.852 1.00 0.00 H new ATOM 0 HB2 MET A 843 -0.263 -5.335 -2.433 1.00 0.00 H new ATOM 0 HB3 MET A 843 1.238 -4.455 -2.639 1.00 0.00 H new ATOM 0 HG2 MET A 843 0.573 -3.726 -4.897 1.00 0.00 H new ATOM 0 HG3 MET A 843 -0.852 -4.745 -4.854 1.00 0.00 H new ATOM 0 HE1 MET A 843 0.042 -0.916 -2.497 1.00 0.00 H new ATOM 0 HE2 MET A 843 0.555 -2.438 -1.730 1.00 0.00 H new ATOM 0 HE3 MET A 843 1.157 -2.011 -3.349 1.00 0.00 H new ATOM 434 N GLY A 844 2.135 -7.081 -1.799 1.00 0.00 N ATOM 435 CA GLY A 844 3.226 -7.540 -0.953 1.00 0.00 C ATOM 436 C GLY A 844 3.954 -8.695 -1.605 1.00 0.00 C ATOM 437 O GLY A 844 5.170 -8.814 -1.500 1.00 0.00 O ATOM 0 H GLY A 844 1.217 -7.105 -1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 844 3.922 -6.721 -0.771 1.00 0.00 H new ATOM 0 HA3 GLY A 844 2.836 -7.849 0.017 1.00 0.00 H new ATOM 441 N SER A 845 3.207 -9.532 -2.297 1.00 0.00 N ATOM 442 CA SER A 845 3.783 -10.674 -2.988 1.00 0.00 C ATOM 443 C SER A 845 4.119 -10.320 -4.430 1.00 0.00 C ATOM 444 O SER A 845 4.336 -11.205 -5.260 1.00 0.00 O ATOM 445 CB SER A 845 2.798 -11.836 -2.965 1.00 0.00 C ATOM 446 OG SER A 845 2.140 -11.880 -1.693 1.00 0.00 O ATOM 0 H SER A 845 2.196 -9.444 -2.397 1.00 0.00 H new ATOM 0 HA SER A 845 4.702 -10.960 -2.477 1.00 0.00 H new ATOM 0 HB2 SER A 845 2.064 -11.720 -3.762 1.00 0.00 H new ATOM 0 HB3 SER A 845 3.322 -12.774 -3.148 1.00 0.00 H new ATOM 0 HG SER A 845 1.532 -11.116 -1.613 1.00 0.00 H new ATOM 452 N ASN A 846 4.112 -9.034 -4.735 1.00 0.00 N ATOM 453 CA ASN A 846 4.360 -8.577 -6.097 1.00 0.00 C ATOM 454 C ASN A 846 5.418 -7.494 -6.134 1.00 0.00 C ATOM 455 O ASN A 846 6.386 -7.587 -6.895 1.00 0.00 O ATOM 456 CB ASN A 846 3.065 -8.057 -6.719 1.00 0.00 C ATOM 457 CG ASN A 846 3.355 -7.376 -8.048 1.00 0.00 C ATOM 458 OD1 ASN A 846 3.118 -6.177 -8.196 1.00 0.00 O ATOM 459 ND2 ASN A 846 3.848 -8.068 -9.028 1.00 0.00 N ATOM 0 H ASN A 846 3.938 -8.287 -4.062 1.00 0.00 H new ATOM 0 HA ASN A 846 4.726 -9.427 -6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 846 2.369 -8.882 -6.869 1.00 0.00 H new ATOM 0 HB3 ASN A 846 2.584 -7.354 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 846 4.040 -7.619 -9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 846 4.044 -9.061 -8.903 1.00 0.00 H new ATOM 466 N VAL A 847 5.230 -6.463 -5.332 1.00 0.00 N ATOM 467 CA VAL A 847 6.170 -5.360 -5.296 1.00 0.00 C ATOM 468 C VAL A 847 6.158 -4.689 -3.933 1.00 0.00 C ATOM 469 O VAL A 847 5.103 -4.331 -3.415 1.00 0.00 O ATOM 470 CB VAL A 847 5.837 -4.339 -6.402 1.00 0.00 C ATOM 471 CG1 VAL A 847 4.380 -3.878 -6.272 1.00 0.00 C ATOM 472 CG2 VAL A 847 6.767 -3.125 -6.285 1.00 0.00 C ATOM 0 H VAL A 847 4.437 -6.367 -4.698 1.00 0.00 H new ATOM 0 HA VAL A 847 7.171 -5.754 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 847 5.978 -4.814 -7.373 1.00 0.00 H new ATOM 0 HG11 VAL A 847 4.155 -3.157 -7.058 1.00 0.00 H new ATOM 0 HG12 VAL A 847 3.717 -4.738 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 847 4.232 -3.411 -5.298 1.00 0.00 H new ATOM 0 HG21 VAL A 847 6.528 -2.406 -7.069 1.00 0.00 H new ATOM 0 HG22 VAL A 847 6.633 -2.657 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 847 7.802 -3.448 -6.393 1.00 0.00 H new ATOM 482 N MET A 848 7.338 -4.501 -3.372 1.00 0.00 N ATOM 483 CA MET A 848 7.478 -3.837 -2.093 1.00 0.00 C ATOM 484 C MET A 848 8.677 -2.913 -2.143 1.00 0.00 C ATOM 485 O MET A 848 9.823 -3.362 -2.061 1.00 0.00 O ATOM 486 CB MET A 848 7.659 -4.869 -0.964 1.00 0.00 C ATOM 487 CG MET A 848 6.901 -6.160 -1.308 1.00 0.00 C ATOM 488 SD MET A 848 7.270 -7.426 -0.070 1.00 0.00 S ATOM 489 CE MET A 848 9.036 -7.597 -0.434 1.00 0.00 C ATOM 0 H MET A 848 8.219 -4.802 -3.788 1.00 0.00 H new ATOM 0 HA MET A 848 6.575 -3.261 -1.889 1.00 0.00 H new ATOM 0 HB2 MET A 848 8.718 -5.085 -0.824 1.00 0.00 H new ATOM 0 HB3 MET A 848 7.290 -4.460 -0.023 1.00 0.00 H new ATOM 0 HG2 MET A 848 5.829 -5.967 -1.338 1.00 0.00 H new ATOM 0 HG3 MET A 848 7.190 -6.510 -2.299 1.00 0.00 H new ATOM 0 HE1 MET A 848 9.368 -8.599 -0.164 1.00 0.00 H new ATOM 0 HE2 MET A 848 9.206 -7.433 -1.498 1.00 0.00 H new ATOM 0 HE3 MET A 848 9.599 -6.861 0.141 1.00 0.00 H new ATOM 499 N GLU A 849 8.415 -1.631 -2.306 1.00 0.00 N ATOM 500 CA GLU A 849 9.477 -0.645 -2.404 1.00 0.00 C ATOM 501 C GLU A 849 8.896 0.752 -2.401 1.00 0.00 C ATOM 502 O GLU A 849 7.734 0.951 -2.752 1.00 0.00 O ATOM 503 CB GLU A 849 10.299 -0.864 -3.689 1.00 0.00 C ATOM 504 CG GLU A 849 9.377 -1.303 -4.841 1.00 0.00 C ATOM 505 CD GLU A 849 10.186 -1.997 -5.917 1.00 0.00 C ATOM 506 OE1 GLU A 849 10.790 -1.307 -6.708 1.00 0.00 O ATOM 507 OE2 GLU A 849 10.190 -3.209 -5.940 1.00 0.00 O ATOM 0 H GLU A 849 7.473 -1.245 -2.374 1.00 0.00 H new ATOM 0 HA GLU A 849 10.133 -0.761 -1.542 1.00 0.00 H new ATOM 0 HB2 GLU A 849 10.818 0.056 -3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 849 11.063 -1.622 -3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 849 8.606 -1.975 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 849 8.867 -0.436 -5.260 1.00 0.00 H new ATOM 510 N ASP A 850 9.712 1.717 -2.025 1.00 0.00 N ATOM 511 CA ASP A 850 9.285 3.108 -1.986 1.00 0.00 C ATOM 512 C ASP A 850 8.542 3.463 -3.264 1.00 0.00 C ATOM 513 O ASP A 850 7.557 4.204 -3.240 1.00 0.00 O ATOM 514 CB ASP A 850 10.505 4.032 -1.837 1.00 0.00 C ATOM 515 CG ASP A 850 11.332 3.639 -0.625 1.00 0.00 C ATOM 516 OD1 ASP A 850 11.710 2.492 -0.529 1.00 0.00 O ATOM 517 OD2 ASP A 850 11.586 4.498 0.195 1.00 0.00 O ATOM 0 H ASP A 850 10.680 1.565 -1.740 1.00 0.00 H new ATOM 0 HA ASP A 850 8.622 3.242 -1.132 1.00 0.00 H new ATOM 0 HB2 ASP A 850 11.120 3.979 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 850 10.174 5.066 -1.738 1.00 0.00 H new ATOM 520 N GLN A 851 9.033 2.938 -4.376 1.00 0.00 N ATOM 521 CA GLN A 851 8.448 3.207 -5.685 1.00 0.00 C ATOM 522 C GLN A 851 6.936 2.965 -5.698 1.00 0.00 C ATOM 523 O GLN A 851 6.201 3.623 -6.450 1.00 0.00 O ATOM 524 CB GLN A 851 9.123 2.343 -6.763 1.00 0.00 C ATOM 525 CG GLN A 851 10.642 2.286 -6.513 1.00 0.00 C ATOM 526 CD GLN A 851 11.374 1.761 -7.750 1.00 0.00 C ATOM 527 OE1 GLN A 851 12.568 1.463 -7.682 1.00 0.00 O ATOM 528 NE2 GLN A 851 10.739 1.626 -8.875 1.00 0.00 N ATOM 0 H GLN A 851 9.842 2.318 -4.400 1.00 0.00 H new ATOM 0 HA GLN A 851 8.620 4.261 -5.904 1.00 0.00 H new ATOM 0 HB2 GLN A 851 8.705 1.336 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 851 8.923 2.757 -7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 851 11.012 3.280 -6.260 1.00 0.00 H new ATOM 0 HG3 GLN A 851 10.851 1.641 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 851 9.751 1.871 -8.936 1.00 0.00 H new ATOM 0 HE22 GLN A 851 11.229 1.274 -9.698 1.00 0.00 H new ATOM 537 N ASP A 852 6.469 2.020 -4.884 1.00 0.00 N ATOM 538 CA ASP A 852 5.039 1.712 -4.837 1.00 0.00 C ATOM 539 C ASP A 852 4.266 2.852 -4.176 1.00 0.00 C ATOM 540 O ASP A 852 3.433 3.503 -4.820 1.00 0.00 O ATOM 541 CB ASP A 852 4.790 0.365 -4.112 1.00 0.00 C ATOM 542 CG ASP A 852 4.079 0.578 -2.784 1.00 0.00 C ATOM 543 OD1 ASP A 852 2.864 0.644 -2.790 1.00 0.00 O ATOM 544 OD2 ASP A 852 4.762 0.675 -1.784 1.00 0.00 O ATOM 0 H ASP A 852 7.048 1.462 -4.257 1.00 0.00 H new ATOM 0 HA ASP A 852 4.674 1.609 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 852 4.191 -0.288 -4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 852 5.741 -0.140 -3.942 1.00 0.00 H new ATOM 547 N LEU A 853 4.574 3.124 -2.917 1.00 0.00 N ATOM 548 CA LEU A 853 3.920 4.204 -2.205 1.00 0.00 C ATOM 549 C LEU A 853 4.111 5.505 -2.960 1.00 0.00 C ATOM 550 O LEU A 853 3.196 6.338 -3.037 1.00 0.00 O ATOM 551 CB LEU A 853 4.494 4.328 -0.799 1.00 0.00 C ATOM 552 CG LEU A 853 3.791 3.325 0.133 1.00 0.00 C ATOM 553 CD1 LEU A 853 4.800 2.308 0.661 1.00 0.00 C ATOM 554 CD2 LEU A 853 3.157 4.069 1.308 1.00 0.00 C ATOM 0 H LEU A 853 5.269 2.613 -2.372 1.00 0.00 H new ATOM 0 HA LEU A 853 2.854 3.987 -2.131 1.00 0.00 H new ATOM 0 HB2 LEU A 853 5.567 4.136 -0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 853 4.357 5.343 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 853 3.016 2.804 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 853 4.294 1.602 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 853 5.245 1.769 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 853 5.582 2.826 1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 853 2.660 3.355 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 853 3.931 4.597 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 853 2.427 4.786 0.933 1.00 0.00 H new ATOM 566 N LEU A 854 5.284 5.663 -3.558 1.00 0.00 N ATOM 567 CA LEU A 854 5.564 6.846 -4.352 1.00 0.00 C ATOM 568 C LEU A 854 4.585 6.925 -5.507 1.00 0.00 C ATOM 569 O LEU A 854 4.051 7.992 -5.809 1.00 0.00 O ATOM 570 CB LEU A 854 7.002 6.814 -4.889 1.00 0.00 C ATOM 571 CG LEU A 854 7.899 7.754 -4.067 1.00 0.00 C ATOM 572 CD1 LEU A 854 7.481 9.209 -4.299 1.00 0.00 C ATOM 573 CD2 LEU A 854 7.781 7.419 -2.573 1.00 0.00 C ATOM 0 H LEU A 854 6.050 4.991 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 854 5.454 7.726 -3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 854 7.392 5.797 -4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 854 7.013 7.114 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 854 8.933 7.620 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 854 8.121 9.869 -3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 854 7.580 9.452 -5.357 1.00 0.00 H new ATOM 0 HD13 LEU A 854 6.444 9.343 -3.992 1.00 0.00 H new ATOM 0 HD21 LEU A 854 8.420 8.090 -1.998 1.00 0.00 H new ATOM 0 HD22 LEU A 854 6.746 7.541 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 854 8.093 6.388 -2.405 1.00 0.00 H new ATOM 585 N GLU A 855 4.324 5.777 -6.130 1.00 0.00 N ATOM 586 CA GLU A 855 3.375 5.710 -7.233 1.00 0.00 C ATOM 587 C GLU A 855 2.031 6.250 -6.786 1.00 0.00 C ATOM 588 O GLU A 855 1.531 7.240 -7.329 1.00 0.00 O ATOM 589 CB GLU A 855 3.221 4.261 -7.720 1.00 0.00 C ATOM 590 CG GLU A 855 3.613 4.161 -9.197 1.00 0.00 C ATOM 591 CD GLU A 855 2.613 4.911 -10.055 1.00 0.00 C ATOM 592 OE1 GLU A 855 1.645 4.304 -10.468 1.00 0.00 O ATOM 593 OE2 GLU A 855 2.826 6.079 -10.294 1.00 0.00 O ATOM 0 H GLU A 855 4.756 4.885 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 855 3.751 6.316 -8.057 1.00 0.00 H new ATOM 0 HB2 GLU A 855 3.849 3.599 -7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 855 2.191 3.931 -7.585 1.00 0.00 H new ATOM 0 HG2 GLU A 855 4.611 4.573 -9.345 1.00 0.00 H new ATOM 0 HG3 GLU A 855 3.652 3.115 -9.501 1.00 0.00 H new ATOM 596 N ILE A 856 1.465 5.628 -5.765 1.00 0.00 N ATOM 597 CA ILE A 856 0.195 6.095 -5.226 1.00 0.00 C ATOM 598 C ILE A 856 0.345 7.539 -4.764 1.00 0.00 C ATOM 599 O ILE A 856 -0.600 8.321 -4.820 1.00 0.00 O ATOM 600 CB ILE A 856 -0.287 5.207 -4.051 1.00 0.00 C ATOM 601 CG1 ILE A 856 0.667 4.024 -3.843 1.00 0.00 C ATOM 602 CG2 ILE A 856 -1.687 4.664 -4.348 1.00 0.00 C ATOM 603 CD1 ILE A 856 0.118 3.110 -2.744 1.00 0.00 C ATOM 0 H ILE A 856 1.856 4.810 -5.297 1.00 0.00 H new ATOM 0 HA ILE A 856 -0.556 6.033 -6.014 1.00 0.00 H new ATOM 0 HB ILE A 856 -0.307 5.818 -3.149 1.00 0.00 H new ATOM 0 HG12 ILE A 856 0.779 3.466 -4.773 1.00 0.00 H new ATOM 0 HG13 ILE A 856 1.658 4.386 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 856 -2.019 4.041 -3.518 1.00 0.00 H new ATOM 0 HG22 ILE A 856 -2.380 5.495 -4.477 1.00 0.00 H new ATOM 0 HG23 ILE A 856 -1.660 4.069 -5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 856 0.797 2.270 -2.597 1.00 0.00 H new ATOM 0 HD12 ILE A 856 0.029 3.672 -1.814 1.00 0.00 H new ATOM 0 HD13 ILE A 856 -0.863 2.737 -3.037 1.00 0.00 H new ATOM 614 N GLY A 857 1.551 7.889 -4.345 1.00 0.00 N ATOM 615 CA GLY A 857 1.845 9.238 -3.884 1.00 0.00 C ATOM 616 C GLY A 857 1.769 9.322 -2.371 1.00 0.00 C ATOM 617 O GLY A 857 1.369 10.347 -1.813 1.00 0.00 O ATOM 0 H GLY A 857 2.348 7.253 -4.315 1.00 0.00 H new ATOM 0 HA2 GLY A 857 2.840 9.532 -4.219 1.00 0.00 H new ATOM 0 HA3 GLY A 857 1.139 9.940 -4.327 1.00 0.00 H new ATOM 621 N ILE A 858 2.181 8.251 -1.709 1.00 0.00 N ATOM 622 CA ILE A 858 2.190 8.212 -0.254 1.00 0.00 C ATOM 623 C ILE A 858 3.590 8.539 0.265 1.00 0.00 C ATOM 624 O ILE A 858 4.404 7.644 0.497 1.00 0.00 O ATOM 625 CB ILE A 858 1.750 6.826 0.252 1.00 0.00 C ATOM 626 CG1 ILE A 858 0.766 6.185 -0.741 1.00 0.00 C ATOM 627 CG2 ILE A 858 1.069 6.964 1.617 1.00 0.00 C ATOM 628 CD1 ILE A 858 -0.461 7.086 -0.918 1.00 0.00 C ATOM 0 H ILE A 858 2.514 7.397 -2.156 1.00 0.00 H new ATOM 0 HA ILE A 858 1.486 8.956 0.120 1.00 0.00 H new ATOM 0 HB ILE A 858 2.632 6.193 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 858 1.256 6.030 -1.702 1.00 0.00 H new ATOM 0 HG13 ILE A 858 0.458 5.204 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 858 0.760 5.980 1.970 1.00 0.00 H new ATOM 0 HG22 ILE A 858 1.768 7.402 2.330 1.00 0.00 H new ATOM 0 HG23 ILE A 858 0.194 7.608 1.524 1.00 0.00 H new ATOM 0 HD11 ILE A 858 -1.153 6.625 -1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 858 -0.957 7.218 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 858 -0.147 8.057 -1.301 1.00 0.00 H new ATOM 639 N LEU A 859 3.870 9.824 0.414 1.00 0.00 N ATOM 640 CA LEU A 859 5.180 10.274 0.877 1.00 0.00 C ATOM 641 C LEU A 859 5.330 10.062 2.374 1.00 0.00 C ATOM 642 O LEU A 859 6.442 9.956 2.886 1.00 0.00 O ATOM 643 CB LEU A 859 5.383 11.759 0.548 1.00 0.00 C ATOM 644 CG LEU A 859 4.847 12.067 -0.859 1.00 0.00 C ATOM 645 CD1 LEU A 859 4.759 13.578 -1.049 1.00 0.00 C ATOM 646 CD2 LEU A 859 5.789 11.474 -1.912 1.00 0.00 C ATOM 0 H LEU A 859 3.209 10.577 0.222 1.00 0.00 H new ATOM 0 HA LEU A 859 5.937 9.683 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 859 4.869 12.376 1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 859 6.442 12.011 0.605 1.00 0.00 H new ATOM 0 HG LEU A 859 3.857 11.626 -0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 859 4.379 13.798 -2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 859 4.085 14.000 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 859 5.750 14.018 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU A 859 5.406 11.694 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 859 6.781 11.911 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 859 5.851 10.394 -1.778 1.00 0.00 H new ATOM 658 N ASN A 860 4.204 10.023 3.076 1.00 0.00 N ATOM 659 CA ASN A 860 4.213 9.840 4.529 1.00 0.00 C ATOM 660 C ASN A 860 5.214 8.759 4.930 1.00 0.00 C ATOM 661 O ASN A 860 4.938 7.564 4.791 1.00 0.00 O ATOM 662 CB ASN A 860 2.813 9.462 5.030 1.00 0.00 C ATOM 663 CG ASN A 860 2.254 10.568 5.912 1.00 0.00 C ATOM 664 OD1 ASN A 860 2.895 10.972 6.881 1.00 0.00 O ATOM 665 ND2 ASN A 860 1.100 11.085 5.641 1.00 0.00 N ATOM 0 H ASN A 860 3.274 10.115 2.668 1.00 0.00 H new ATOM 0 HA ASN A 860 4.512 10.783 4.987 1.00 0.00 H new ATOM 0 HB2 ASN A 860 2.149 9.292 4.182 1.00 0.00 H new ATOM 0 HB3 ASN A 860 2.859 8.528 5.591 1.00 0.00 H new ATOM 0 HD21 ASN A 860 0.722 11.827 6.230 1.00 0.00 H new ATOM 0 HD22 ASN A 860 0.567 10.751 4.838 1.00 0.00 H new ATOM 672 N SER A 861 6.377 9.183 5.404 1.00 0.00 N ATOM 673 CA SER A 861 7.432 8.257 5.797 1.00 0.00 C ATOM 674 C SER A 861 6.881 7.111 6.637 1.00 0.00 C ATOM 675 O SER A 861 7.103 5.932 6.323 1.00 0.00 O ATOM 676 CB SER A 861 8.510 9.011 6.576 1.00 0.00 C ATOM 677 OG SER A 861 8.433 10.404 6.253 1.00 0.00 O ATOM 0 H SER A 861 6.615 10.167 5.526 1.00 0.00 H new ATOM 0 HA SER A 861 7.866 7.827 4.894 1.00 0.00 H new ATOM 0 HB2 SER A 861 8.371 8.865 7.647 1.00 0.00 H new ATOM 0 HB3 SER A 861 9.497 8.621 6.326 1.00 0.00 H new ATOM 0 HG SER A 861 9.121 10.894 6.751 1.00 0.00 H new ATOM 683 N GLY A 862 6.152 7.455 7.685 1.00 0.00 N ATOM 684 CA GLY A 862 5.555 6.459 8.564 1.00 0.00 C ATOM 685 C GLY A 862 4.651 5.527 7.782 1.00 0.00 C ATOM 686 O GLY A 862 4.684 4.311 7.970 1.00 0.00 O ATOM 0 H GLY A 862 5.958 8.421 7.950 1.00 0.00 H new ATOM 0 HA2 GLY A 862 6.340 5.884 9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 862 4.983 6.955 9.348 1.00 0.00 H new ATOM 690 N HIS A 863 3.867 6.089 6.876 1.00 0.00 N ATOM 691 CA HIS A 863 2.996 5.274 6.045 1.00 0.00 C ATOM 692 C HIS A 863 3.840 4.464 5.079 1.00 0.00 C ATOM 693 O HIS A 863 3.595 3.277 4.869 1.00 0.00 O ATOM 694 CB HIS A 863 1.996 6.146 5.266 1.00 0.00 C ATOM 695 CG HIS A 863 1.143 6.939 6.233 1.00 0.00 C ATOM 696 ND1 HIS A 863 0.106 7.762 5.808 1.00 0.00 N ATOM 697 CD2 HIS A 863 1.167 7.046 7.603 1.00 0.00 C ATOM 698 CE1 HIS A 863 -0.443 8.319 6.906 1.00 0.00 C ATOM 699 NE2 HIS A 863 0.167 7.918 8.024 1.00 0.00 N ATOM 0 H HIS A 863 3.815 7.092 6.699 1.00 0.00 H new ATOM 0 HA HIS A 863 2.426 4.605 6.689 1.00 0.00 H new ATOM 0 HB2 HIS A 863 2.532 6.823 4.600 1.00 0.00 H new ATOM 0 HB3 HIS A 863 1.363 5.518 4.640 1.00 0.00 H new ATOM 0 HD2 HIS A 863 1.858 6.531 8.255 1.00 0.00 H new ATOM 0 HE1 HIS A 863 -1.276 9.007 6.884 1.00 0.00 H new ATOM 0 HE2 HIS A 863 -0.053 8.192 8.982 1.00 0.00 H new ATOM 704 N ARG A 864 4.855 5.112 4.512 1.00 0.00 N ATOM 705 CA ARG A 864 5.756 4.449 3.577 1.00 0.00 C ATOM 706 C ARG A 864 6.312 3.171 4.180 1.00 0.00 C ATOM 707 O ARG A 864 6.182 2.092 3.599 1.00 0.00 O ATOM 708 CB ARG A 864 6.919 5.385 3.191 1.00 0.00 C ATOM 709 CG ARG A 864 6.771 5.833 1.729 1.00 0.00 C ATOM 710 CD ARG A 864 7.312 4.749 0.782 1.00 0.00 C ATOM 711 NE ARG A 864 8.720 4.448 1.068 1.00 0.00 N ATOM 712 CZ ARG A 864 9.100 3.328 1.701 1.00 0.00 C ATOM 713 NH1 ARG A 864 8.208 2.485 2.147 1.00 0.00 N ATOM 714 NH2 ARG A 864 10.362 3.081 1.868 1.00 0.00 N ATOM 0 H ARG A 864 5.073 6.094 4.684 1.00 0.00 H new ATOM 0 HA ARG A 864 5.186 4.199 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 864 6.929 6.255 3.847 1.00 0.00 H new ATOM 0 HB3 ARG A 864 7.871 4.871 3.328 1.00 0.00 H new ATOM 0 HG2 ARG A 864 5.722 6.030 1.506 1.00 0.00 H new ATOM 0 HG3 ARG A 864 7.311 6.766 1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 864 6.716 3.842 0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 864 7.211 5.082 -0.251 1.00 0.00 H new ATOM 0 HE ARG A 864 9.435 5.114 0.775 1.00 0.00 H new ATOM 0 HH11 ARG A 864 7.215 2.676 2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 864 8.504 1.635 2.627 1.00 0.00 H new ATOM 0 HH21 ARG A 864 11.061 3.737 1.519 1.00 0.00 H new ATOM 0 HH22 ARG A 864 10.656 2.231 2.349 1.00 0.00 H new ATOM 717 N GLN A 865 6.948 3.296 5.333 1.00 0.00 N ATOM 718 CA GLN A 865 7.542 2.141 5.990 1.00 0.00 C ATOM 719 C GLN A 865 6.476 1.150 6.411 1.00 0.00 C ATOM 720 O GLN A 865 6.618 -0.053 6.194 1.00 0.00 O ATOM 721 CB GLN A 865 8.388 2.562 7.203 1.00 0.00 C ATOM 722 CG GLN A 865 7.580 3.475 8.136 1.00 0.00 C ATOM 723 CD GLN A 865 6.964 2.662 9.270 1.00 0.00 C ATOM 724 OE1 GLN A 865 7.612 1.779 9.826 1.00 0.00 O ATOM 725 NE2 GLN A 865 5.747 2.900 9.642 1.00 0.00 N ATOM 0 H GLN A 865 7.066 4.178 5.831 1.00 0.00 H new ATOM 0 HA GLN A 865 8.200 1.657 5.269 1.00 0.00 H new ATOM 0 HB2 GLN A 865 8.718 1.677 7.748 1.00 0.00 H new ATOM 0 HB3 GLN A 865 9.285 3.081 6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 865 8.226 4.251 8.546 1.00 0.00 H new ATOM 0 HG3 GLN A 865 6.795 3.979 7.572 1.00 0.00 H new ATOM 0 HE21 GLN A 865 5.207 3.633 9.182 1.00 0.00 H new ATOM 0 HE22 GLN A 865 5.328 2.355 10.395 1.00 0.00 H new ATOM 734 N ARG A 866 5.401 1.655 7.007 1.00 0.00 N ATOM 735 CA ARG A 866 4.326 0.788 7.455 1.00 0.00 C ATOM 736 C ARG A 866 3.759 -0.006 6.292 1.00 0.00 C ATOM 737 O ARG A 866 3.710 -1.224 6.341 1.00 0.00 O ATOM 738 CB ARG A 866 3.208 1.589 8.132 1.00 0.00 C ATOM 739 CG ARG A 866 2.098 0.621 8.571 1.00 0.00 C ATOM 740 CD ARG A 866 1.096 1.338 9.475 1.00 0.00 C ATOM 741 NE ARG A 866 1.698 1.639 10.769 1.00 0.00 N ATOM 742 CZ ARG A 866 0.982 1.631 11.900 1.00 0.00 C ATOM 743 NH1 ARG A 866 -0.289 1.326 11.874 1.00 0.00 N ATOM 744 NH2 ARG A 866 1.558 1.921 13.032 1.00 0.00 N ATOM 0 H ARG A 866 5.255 2.648 7.188 1.00 0.00 H new ATOM 0 HA ARG A 866 4.745 0.098 8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 866 3.600 2.129 8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 866 2.808 2.334 7.444 1.00 0.00 H new ATOM 0 HG2 ARG A 866 1.587 0.222 7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 866 2.534 -0.227 9.100 1.00 0.00 H new ATOM 0 HD2 ARG A 866 0.763 2.260 8.999 1.00 0.00 H new ATOM 0 HD3 ARG A 866 0.213 0.715 9.615 1.00 0.00 H new ATOM 0 HE ARG A 866 2.692 1.862 10.813 1.00 0.00 H new ATOM 0 HH11 ARG A 866 -0.739 1.093 10.989 1.00 0.00 H new ATOM 0 HH12 ARG A 866 -0.830 1.321 12.739 1.00 0.00 H new ATOM 0 HH21 ARG A 866 2.551 2.153 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 866 1.016 1.916 13.896 1.00 0.00 H new ATOM 747 N ILE A 867 3.332 0.688 5.244 1.00 0.00 N ATOM 748 CA ILE A 867 2.773 0.013 4.084 1.00 0.00 C ATOM 749 C ILE A 867 3.745 -1.044 3.572 1.00 0.00 C ATOM 750 O ILE A 867 3.386 -2.218 3.454 1.00 0.00 O ATOM 751 CB ILE A 867 2.445 1.030 2.979 1.00 0.00 C ATOM 752 CG1 ILE A 867 1.299 1.950 3.452 1.00 0.00 C ATOM 753 CG2 ILE A 867 2.025 0.302 1.693 1.00 0.00 C ATOM 754 CD1 ILE A 867 -0.057 1.282 3.185 1.00 0.00 C ATOM 0 H ILE A 867 3.362 1.705 5.175 1.00 0.00 H new ATOM 0 HA ILE A 867 1.847 -0.482 4.378 1.00 0.00 H new ATOM 0 HB ILE A 867 3.333 1.627 2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 867 1.406 2.160 4.516 1.00 0.00 H new ATOM 0 HG13 ILE A 867 1.351 2.906 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 867 1.796 1.034 0.919 1.00 0.00 H new ATOM 0 HG22 ILE A 867 2.839 -0.340 1.356 1.00 0.00 H new ATOM 0 HG23 ILE A 867 1.142 -0.306 1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 867 -0.859 1.939 3.522 1.00 0.00 H new ATOM 0 HD12 ILE A 867 -0.166 1.095 2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 867 -0.110 0.337 3.726 1.00 0.00 H new ATOM 765 N LEU A 868 4.983 -0.634 3.303 1.00 0.00 N ATOM 766 CA LEU A 868 5.998 -1.571 2.829 1.00 0.00 C ATOM 767 C LEU A 868 6.116 -2.740 3.790 1.00 0.00 C ATOM 768 O LEU A 868 5.966 -3.899 3.403 1.00 0.00 O ATOM 769 CB LEU A 868 7.361 -0.873 2.691 1.00 0.00 C ATOM 770 CG LEU A 868 7.876 -1.019 1.249 1.00 0.00 C ATOM 771 CD1 LEU A 868 7.156 -0.021 0.339 1.00 0.00 C ATOM 772 CD2 LEU A 868 9.386 -0.748 1.207 1.00 0.00 C ATOM 0 H LEU A 868 5.304 0.329 3.404 1.00 0.00 H new ATOM 0 HA LEU A 868 5.694 -1.938 1.849 1.00 0.00 H new ATOM 0 HB2 LEU A 868 7.268 0.182 2.949 1.00 0.00 H new ATOM 0 HB3 LEU A 868 8.076 -1.309 3.388 1.00 0.00 H new ATOM 0 HG LEU A 868 7.680 -2.034 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 868 7.524 -0.128 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 868 6.084 -0.217 0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 868 7.347 0.994 0.689 1.00 0.00 H new ATOM 0 HD21 LEU A 868 9.746 -0.853 0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 868 9.584 0.264 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 868 9.902 -1.463 1.848 1.00 0.00 H new ATOM 784 N GLN A 869 6.352 -2.428 5.049 1.00 0.00 N ATOM 785 CA GLN A 869 6.459 -3.455 6.070 1.00 0.00 C ATOM 786 C GLN A 869 5.185 -4.282 6.111 1.00 0.00 C ATOM 787 O GLN A 869 5.227 -5.513 6.220 1.00 0.00 O ATOM 788 CB GLN A 869 6.698 -2.813 7.440 1.00 0.00 C ATOM 789 CG GLN A 869 8.164 -2.383 7.568 1.00 0.00 C ATOM 790 CD GLN A 869 8.808 -3.109 8.737 1.00 0.00 C ATOM 791 OE1 GLN A 869 8.697 -2.664 9.880 1.00 0.00 O ATOM 792 NE2 GLN A 869 9.458 -4.209 8.530 1.00 0.00 N ATOM 0 H GLN A 869 6.473 -1.475 5.390 1.00 0.00 H new ATOM 0 HA GLN A 869 7.301 -4.103 5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 869 6.045 -1.949 7.565 1.00 0.00 H new ATOM 0 HB3 GLN A 869 6.447 -3.520 8.231 1.00 0.00 H new ATOM 0 HG2 GLN A 869 8.701 -2.608 6.647 1.00 0.00 H new ATOM 0 HG3 GLN A 869 8.226 -1.305 7.718 1.00 0.00 H new ATOM 0 HE21 GLN A 869 9.549 -4.577 7.583 1.00 0.00 H new ATOM 0 HE22 GLN A 869 9.879 -4.708 9.314 1.00 0.00 H new ATOM 801 N ALA A 870 4.054 -3.600 6.042 1.00 0.00 N ATOM 802 CA ALA A 870 2.765 -4.259 6.097 1.00 0.00 C ATOM 803 C ALA A 870 2.609 -5.246 4.956 1.00 0.00 C ATOM 804 O ALA A 870 2.269 -6.407 5.184 1.00 0.00 O ATOM 805 CB ALA A 870 1.635 -3.227 6.057 1.00 0.00 C ATOM 0 H ALA A 870 4.005 -2.586 5.947 1.00 0.00 H new ATOM 0 HA ALA A 870 2.709 -4.809 7.036 1.00 0.00 H new ATOM 0 HB1 ALA A 870 0.673 -3.739 6.099 1.00 0.00 H new ATOM 0 HB2 ALA A 870 1.726 -2.555 6.910 1.00 0.00 H new ATOM 0 HB3 ALA A 870 1.700 -2.652 5.133 1.00 0.00 H new ATOM 811 N ILE A 871 2.889 -4.806 3.731 1.00 0.00 N ATOM 812 CA ILE A 871 2.789 -5.702 2.596 1.00 0.00 C ATOM 813 C ILE A 871 3.848 -6.791 2.702 1.00 0.00 C ATOM 814 O ILE A 871 3.591 -7.955 2.391 1.00 0.00 O ATOM 815 CB ILE A 871 2.914 -4.945 1.261 1.00 0.00 C ATOM 816 CG1 ILE A 871 4.272 -4.250 1.158 1.00 0.00 C ATOM 817 CG2 ILE A 871 1.806 -3.901 1.145 1.00 0.00 C ATOM 818 CD1 ILE A 871 4.402 -3.598 -0.221 1.00 0.00 C ATOM 0 H ILE A 871 3.180 -3.854 3.508 1.00 0.00 H new ATOM 0 HA ILE A 871 1.801 -6.163 2.613 1.00 0.00 H new ATOM 0 HB ILE A 871 2.823 -5.669 0.451 1.00 0.00 H new ATOM 0 HG12 ILE A 871 4.368 -3.497 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 871 5.075 -4.971 1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 871 1.903 -3.371 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 871 0.835 -4.395 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 871 1.888 -3.191 1.968 1.00 0.00 H new ATOM 0 HD11 ILE A 871 5.369 -3.101 -0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 871 4.324 -4.363 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 871 3.606 -2.865 -0.354 1.00 0.00 H new ATOM 829 N GLN A 872 5.030 -6.413 3.182 1.00 0.00 N ATOM 830 CA GLN A 872 6.111 -7.374 3.371 1.00 0.00 C ATOM 831 C GLN A 872 5.672 -8.471 4.329 1.00 0.00 C ATOM 832 O GLN A 872 6.126 -9.615 4.232 1.00 0.00 O ATOM 833 CB GLN A 872 7.357 -6.676 3.936 1.00 0.00 C ATOM 834 CG GLN A 872 8.081 -5.906 2.824 1.00 0.00 C ATOM 835 CD GLN A 872 9.579 -6.145 2.918 1.00 0.00 C ATOM 836 OE1 GLN A 872 10.343 -5.209 3.147 1.00 0.00 O ATOM 837 NE2 GLN A 872 10.050 -7.341 2.759 1.00 0.00 N ATOM 0 H GLN A 872 5.262 -5.455 3.445 1.00 0.00 H new ATOM 0 HA GLN A 872 6.355 -7.811 2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 872 7.069 -5.992 4.734 1.00 0.00 H new ATOM 0 HB3 GLN A 872 8.029 -7.414 4.375 1.00 0.00 H new ATOM 0 HG2 GLN A 872 7.714 -6.227 1.849 1.00 0.00 H new ATOM 0 HG3 GLN A 872 7.868 -4.840 2.910 1.00 0.00 H new ATOM 0 HE21 GLN A 872 9.416 -8.118 2.569 1.00 0.00 H new ATOM 0 HE22 GLN A 872 11.054 -7.506 2.824 1.00 0.00 H new ATOM 846 N LEU A 873 4.815 -8.111 5.272 1.00 0.00 N ATOM 847 CA LEU A 873 4.336 -9.062 6.267 1.00 0.00 C ATOM 848 C LEU A 873 3.212 -9.930 5.707 1.00 0.00 C ATOM 849 O LEU A 873 2.943 -11.015 6.223 1.00 0.00 O ATOM 850 CB LEU A 873 3.856 -8.323 7.525 1.00 0.00 C ATOM 851 CG LEU A 873 4.905 -8.450 8.648 1.00 0.00 C ATOM 852 CD1 LEU A 873 4.921 -9.884 9.183 1.00 0.00 C ATOM 853 CD2 LEU A 873 6.300 -8.089 8.112 1.00 0.00 C ATOM 0 H LEU A 873 4.437 -7.169 5.370 1.00 0.00 H new ATOM 0 HA LEU A 873 5.168 -9.715 6.533 1.00 0.00 H new ATOM 0 HB2 LEU A 873 3.684 -7.272 7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 873 2.904 -8.736 7.858 1.00 0.00 H new ATOM 0 HG LEU A 873 4.642 -7.764 9.453 1.00 0.00 H new ATOM 0 HD11 LEU A 873 5.664 -9.968 9.976 1.00 0.00 H new ATOM 0 HD12 LEU A 873 3.937 -10.136 9.579 1.00 0.00 H new ATOM 0 HD13 LEU A 873 5.173 -10.571 8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 873 7.033 -8.182 8.913 1.00 0.00 H new ATOM 0 HD22 LEU A 873 6.564 -8.765 7.299 1.00 0.00 H new ATOM 0 HD23 LEU A 873 6.294 -7.063 7.743 1.00 0.00 H new ATOM 865 N LEU A 874 2.560 -9.459 4.651 1.00 0.00 N ATOM 866 CA LEU A 874 1.477 -10.225 4.039 1.00 0.00 C ATOM 867 C LEU A 874 2.014 -11.543 3.486 1.00 0.00 C ATOM 868 O LEU A 874 3.156 -11.605 3.020 1.00 0.00 O ATOM 869 CB LEU A 874 0.816 -9.427 2.901 1.00 0.00 C ATOM 870 CG LEU A 874 0.104 -8.190 3.469 1.00 0.00 C ATOM 871 CD1 LEU A 874 -0.456 -7.344 2.320 1.00 0.00 C ATOM 872 CD2 LEU A 874 -1.049 -8.629 4.382 1.00 0.00 C ATOM 0 H LEU A 874 2.757 -8.563 4.204 1.00 0.00 H new ATOM 0 HA LEU A 874 0.730 -10.427 4.807 1.00 0.00 H new ATOM 0 HB2 LEU A 874 1.570 -9.121 2.175 1.00 0.00 H new ATOM 0 HB3 LEU A 874 0.101 -10.057 2.372 1.00 0.00 H new ATOM 0 HG LEU A 874 0.819 -7.600 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 874 -0.961 -6.467 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 874 0.360 -7.025 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 874 -1.166 -7.937 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 874 -1.551 -7.749 4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 874 -1.761 -9.223 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 874 -0.655 -9.227 5.204 1.00 0.00 H new ATOM 884 N PRO A 875 1.223 -12.585 3.513 1.00 0.00 N ATOM 885 CA PRO A 875 1.634 -13.913 2.980 1.00 0.00 C ATOM 886 C PRO A 875 1.588 -13.928 1.458 1.00 0.00 C ATOM 887 O PRO A 875 1.191 -12.940 0.835 1.00 0.00 O ATOM 888 CB PRO A 875 0.598 -14.871 3.564 1.00 0.00 C ATOM 889 CG PRO A 875 -0.627 -14.040 3.774 1.00 0.00 C ATOM 890 CD PRO A 875 -0.149 -12.610 4.054 1.00 0.00 C ATOM 0 HA PRO A 875 2.657 -14.178 3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 875 0.400 -15.700 2.884 1.00 0.00 H new ATOM 0 HB3 PRO A 875 0.946 -15.304 4.502 1.00 0.00 H new ATOM 0 HG2 PRO A 875 -1.269 -14.068 2.893 1.00 0.00 H new ATOM 0 HG3 PRO A 875 -1.215 -14.422 4.609 1.00 0.00 H new ATOM 0 HD2 PRO A 875 -0.785 -11.873 3.565 1.00 0.00 H new ATOM 0 HD3 PRO A 875 -0.163 -12.385 5.121 1.00 0.00 H new