USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 562 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 31 ASN :FLIP amide:sc= -14.8! C(o=-20!,f=-19!) USER MOD Set 1.2: A 45 CYS SG : rot 104:sc= -4.46! USER MOD Set 2.1: A 24 GLN : amide:sc= -0.957! C(o=-2!,f=-9!) USER MOD Set 2.2: A 61 TYR OH : rot -122:sc= -1.03! USER MOD Set 3.1: A 5 LYS NZ :NH3+ -167:sc= 0.798 (180deg=-0.166) USER MOD Set 3.2: A 21 ASN :FLIP amide:sc= -4.3! C(o=-6.9!,f=-3.5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.363 (180deg=0.346) USER MOD Single : A 4 SER OG : rot 180:sc= -0.357! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= 0.141 K(o=0.14,f=-1.5!) USER MOD Single : A 25 LYS NZ :NH3+ -168:sc= 0.134 (180deg=0.0448) USER MOD Single : A 30 SER OG : rot 180:sc= 0.184 USER MOD Single : A 35 SER OG : rot -97:sc= -1.36! USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 55 GLN : amide:sc= -0.187 K(o=-0.19,f=-1) USER MOD Single : A 59 GLN : amide:sc= -0.511 K(o=-0.51,f=-3.7!) USER MOD Single : A 62 THR OG1 : rot 111:sc= -2.61! USER MOD Single : A 66 ASN : amide:sc= -0.0236 K(o=-0.024,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.738 -9.093 -16.351 1.00 0.00 N ATOM 2 CA MET A 1 12.635 -9.658 -14.973 1.00 0.00 C ATOM 3 C MET A 1 12.503 -8.529 -13.947 1.00 0.00 C ATOM 4 O MET A 1 13.035 -7.451 -14.123 1.00 0.00 O ATOM 5 CB MET A 1 13.943 -10.420 -14.762 1.00 0.00 C ATOM 6 CG MET A 1 13.689 -11.921 -14.907 1.00 0.00 C ATOM 7 SD MET A 1 13.221 -12.293 -16.616 1.00 0.00 S ATOM 8 CE MET A 1 13.167 -14.094 -16.451 1.00 0.00 C ATOM 0 H1 MET A 1 12.929 -9.860 -17.027 1.00 0.00 H new ATOM 0 H2 MET A 1 11.844 -8.625 -16.602 1.00 0.00 H new ATOM 0 H3 MET A 1 13.513 -8.400 -16.385 1.00 0.00 H new ATOM 0 HA MET A 1 11.762 -10.300 -14.853 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.687 -10.095 -15.489 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.347 -10.203 -13.773 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.584 -12.480 -14.634 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.898 -12.234 -14.226 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.892 -14.539 -17.407 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.148 -14.461 -16.148 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.428 -14.368 -15.698 1.00 0.00 H new ATOM 20 N VAL A 2 11.796 -8.767 -12.876 1.00 0.00 N ATOM 21 CA VAL A 2 11.630 -7.707 -11.840 1.00 0.00 C ATOM 22 C VAL A 2 12.350 -8.108 -10.549 1.00 0.00 C ATOM 23 O VAL A 2 11.791 -8.049 -9.473 1.00 0.00 O ATOM 24 CB VAL A 2 10.123 -7.618 -11.607 1.00 0.00 C ATOM 25 CG1 VAL A 2 9.801 -6.337 -10.835 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.399 -7.596 -12.954 1.00 0.00 C ATOM 0 H VAL A 2 11.326 -9.649 -12.673 1.00 0.00 H new ATOM 0 HA VAL A 2 12.053 -6.753 -12.154 1.00 0.00 H new ATOM 0 HB VAL A 2 9.793 -8.483 -11.031 1.00 0.00 H new ATOM 0 HG11 VAL A 2 8.726 -6.273 -10.669 1.00 0.00 H new ATOM 0 HG12 VAL A 2 10.317 -6.352 -9.875 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.131 -5.472 -11.411 1.00 0.00 H new ATOM 0 HG21 VAL A 2 8.324 -7.533 -12.788 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.729 -6.732 -13.530 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.628 -8.508 -13.505 1.00 0.00 H new ATOM 36 N ASP A 3 13.586 -8.515 -10.650 1.00 0.00 N ATOM 37 CA ASP A 3 14.342 -8.920 -9.428 1.00 0.00 C ATOM 38 C ASP A 3 13.449 -9.748 -8.501 1.00 0.00 C ATOM 39 O ASP A 3 12.466 -10.325 -8.921 1.00 0.00 O ATOM 40 CB ASP A 3 14.735 -7.604 -8.753 1.00 0.00 C ATOM 41 CG ASP A 3 16.254 -7.437 -8.807 1.00 0.00 C ATOM 42 OD1 ASP A 3 16.937 -8.181 -8.122 1.00 0.00 O ATOM 43 OD2 ASP A 3 16.710 -6.567 -9.529 1.00 0.00 O ATOM 0 H ASP A 3 14.106 -8.585 -11.525 1.00 0.00 H new ATOM 0 HA ASP A 3 15.210 -9.535 -9.666 1.00 0.00 H new ATOM 0 HB2 ASP A 3 14.248 -6.767 -9.253 1.00 0.00 H new ATOM 0 HB3 ASP A 3 14.394 -7.598 -7.718 1.00 0.00 H new ATOM 48 N SER A 4 13.782 -9.807 -7.240 1.00 0.00 N ATOM 49 CA SER A 4 12.951 -10.592 -6.285 1.00 0.00 C ATOM 50 C SER A 4 11.609 -9.887 -6.050 1.00 0.00 C ATOM 51 O SER A 4 10.893 -9.571 -6.979 1.00 0.00 O ATOM 52 CB SER A 4 13.772 -10.636 -4.997 1.00 0.00 C ATOM 53 OG SER A 4 13.665 -9.386 -4.327 1.00 0.00 O ATOM 0 H SER A 4 14.594 -9.345 -6.830 1.00 0.00 H new ATOM 0 HA SER A 4 12.721 -11.591 -6.655 1.00 0.00 H new ATOM 0 HB2 SER A 4 13.415 -11.439 -4.352 1.00 0.00 H new ATOM 0 HB3 SER A 4 14.816 -10.851 -5.225 1.00 0.00 H new ATOM 0 HG SER A 4 14.189 -9.412 -3.500 1.00 0.00 H new ATOM 59 N LYS A 5 11.261 -9.635 -4.814 1.00 0.00 N ATOM 60 CA LYS A 5 9.968 -8.948 -4.529 1.00 0.00 C ATOM 61 C LYS A 5 8.813 -9.683 -5.218 1.00 0.00 C ATOM 62 O LYS A 5 8.116 -9.127 -6.044 1.00 0.00 O ATOM 63 CB LYS A 5 10.132 -7.542 -5.111 1.00 0.00 C ATOM 64 CG LYS A 5 11.305 -6.839 -4.424 1.00 0.00 C ATOM 65 CD LYS A 5 11.156 -5.323 -4.582 1.00 0.00 C ATOM 66 CE LYS A 5 12.255 -4.795 -5.508 1.00 0.00 C ATOM 67 NZ LYS A 5 11.658 -3.605 -6.176 1.00 0.00 N ATOM 0 H LYS A 5 11.816 -9.875 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 5 9.738 -8.926 -3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.307 -7.600 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.216 -6.969 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.333 -7.104 -3.367 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.247 -7.170 -4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.175 -5.084 -4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.222 -4.837 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.149 -4.525 -4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.553 -5.549 -6.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.256 -3.320 -6.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.706 -3.842 -6.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.594 -2.821 -5.496 1.00 0.00 H new ATOM 81 N LYS A 6 8.604 -10.927 -4.882 1.00 0.00 N ATOM 82 CA LYS A 6 7.493 -11.695 -5.517 1.00 0.00 C ATOM 83 C LYS A 6 6.143 -11.150 -5.063 1.00 0.00 C ATOM 84 O LYS A 6 5.635 -10.192 -5.613 1.00 0.00 O ATOM 85 CB LYS A 6 7.682 -13.135 -5.034 1.00 0.00 C ATOM 86 CG LYS A 6 8.886 -13.758 -5.745 1.00 0.00 C ATOM 87 CD LYS A 6 8.400 -14.645 -6.892 1.00 0.00 C ATOM 88 CE LYS A 6 9.000 -16.045 -6.743 1.00 0.00 C ATOM 89 NZ LYS A 6 8.724 -16.720 -8.042 1.00 0.00 N ATOM 0 H LYS A 6 9.153 -11.445 -4.196 1.00 0.00 H new ATOM 0 HA LYS A 6 7.511 -11.623 -6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.835 -13.151 -3.955 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.784 -13.719 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.540 -12.975 -6.129 1.00 0.00 H new ATOM 0 HG3 LYS A 6 9.473 -14.346 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.311 -14.702 -6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.692 -14.213 -7.849 1.00 0.00 H new ATOM 0 HE2 LYS A 6 10.070 -15.997 -6.542 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.544 -16.584 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.106 -17.687 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.697 -16.757 -8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.176 -16.188 -8.813 1.00 0.00 H new ATOM 103 N ARG A 7 5.549 -11.751 -4.074 1.00 0.00 N ATOM 104 CA ARG A 7 4.223 -11.261 -3.608 1.00 0.00 C ATOM 105 C ARG A 7 3.212 -11.377 -4.752 1.00 0.00 C ATOM 106 O ARG A 7 3.528 -11.912 -5.795 1.00 0.00 O ATOM 107 CB ARG A 7 4.466 -9.797 -3.240 1.00 0.00 C ATOM 108 CG ARG A 7 4.210 -9.597 -1.746 1.00 0.00 C ATOM 109 CD ARG A 7 5.412 -10.112 -0.952 1.00 0.00 C ATOM 110 NE ARG A 7 6.321 -8.941 -0.827 1.00 0.00 N ATOM 111 CZ ARG A 7 7.158 -8.869 0.171 1.00 0.00 C ATOM 112 NH1 ARG A 7 8.284 -9.528 0.127 1.00 0.00 N ATOM 113 NH2 ARG A 7 6.871 -8.137 1.213 1.00 0.00 N ATOM 0 H ARG A 7 5.920 -12.556 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 7 3.823 -11.828 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.490 -9.515 -3.485 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.809 -9.151 -3.822 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.044 -8.541 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.307 -10.129 -1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.109 -10.483 0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.901 -10.938 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 7 6.290 -8.195 -1.521 1.00 0.00 H new ATOM 0 HH11 ARG A 7 8.509 -10.099 -0.688 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.939 -9.472 0.907 1.00 0.00 H new ATOM 0 HH21 ARG A 7 5.992 -7.621 1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 7 7.526 -8.081 1.993 1.00 0.00 H new ATOM 127 N PRO A 8 2.030 -10.856 -4.538 1.00 0.00 N ATOM 128 CA PRO A 8 1.000 -10.905 -5.594 1.00 0.00 C ATOM 129 C PRO A 8 1.425 -10.027 -6.774 1.00 0.00 C ATOM 130 O PRO A 8 0.759 -9.075 -7.129 1.00 0.00 O ATOM 131 CB PRO A 8 -0.252 -10.356 -4.912 1.00 0.00 C ATOM 132 CG PRO A 8 0.263 -9.531 -3.775 1.00 0.00 C ATOM 133 CD PRO A 8 1.549 -10.181 -3.324 1.00 0.00 C ATOM 0 HA PRO A 8 0.839 -11.904 -5.999 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.846 -9.754 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.895 -11.162 -4.557 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.438 -8.502 -4.090 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.461 -9.497 -2.961 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.267 -9.445 -2.962 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.379 -10.887 -2.511 1.00 0.00 H new ATOM 141 N GLY A 9 2.544 -10.342 -7.375 1.00 0.00 N ATOM 142 CA GLY A 9 3.035 -9.532 -8.526 1.00 0.00 C ATOM 143 C GLY A 9 1.914 -9.372 -9.554 1.00 0.00 C ATOM 144 O GLY A 9 0.791 -9.775 -9.331 1.00 0.00 O ATOM 0 H GLY A 9 3.139 -11.129 -7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.367 -8.553 -8.180 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.896 -10.017 -8.985 1.00 0.00 H new ATOM 148 N LYS A 10 2.208 -8.779 -10.679 1.00 0.00 N ATOM 149 CA LYS A 10 1.155 -8.584 -11.715 1.00 0.00 C ATOM 150 C LYS A 10 -0.060 -7.881 -11.097 1.00 0.00 C ATOM 151 O LYS A 10 0.073 -6.879 -10.425 1.00 0.00 O ATOM 152 CB LYS A 10 0.787 -9.994 -12.177 1.00 0.00 C ATOM 153 CG LYS A 10 0.219 -9.931 -13.597 1.00 0.00 C ATOM 154 CD LYS A 10 -0.468 -11.255 -13.934 1.00 0.00 C ATOM 155 CE LYS A 10 -0.930 -11.231 -15.392 1.00 0.00 C ATOM 156 NZ LYS A 10 -1.157 -12.660 -15.746 1.00 0.00 N ATOM 0 H LYS A 10 3.131 -8.422 -10.925 1.00 0.00 H new ATOM 0 HA LYS A 10 1.495 -7.964 -12.545 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.666 -10.638 -12.153 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.054 -10.431 -11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.493 -9.109 -13.679 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.018 -9.733 -14.311 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.219 -12.085 -13.772 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.320 -11.414 -13.273 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.842 -10.646 -15.508 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -0.177 -10.779 -16.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.477 -12.726 -16.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.270 -13.191 -15.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.883 -13.062 -15.119 1.00 0.00 H new ATOM 170 N ASP A 11 -1.240 -8.400 -11.311 1.00 0.00 N ATOM 171 CA ASP A 11 -2.449 -7.755 -10.722 1.00 0.00 C ATOM 172 C ASP A 11 -2.177 -7.352 -9.270 1.00 0.00 C ATOM 173 O ASP A 11 -2.343 -8.137 -8.357 1.00 0.00 O ATOM 174 CB ASP A 11 -3.539 -8.826 -10.784 1.00 0.00 C ATOM 175 CG ASP A 11 -2.984 -10.150 -10.256 1.00 0.00 C ATOM 176 OD1 ASP A 11 -2.274 -10.810 -10.996 1.00 0.00 O ATOM 177 OD2 ASP A 11 -3.279 -10.482 -9.120 1.00 0.00 O ATOM 0 H ASP A 11 -1.418 -9.238 -11.865 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.736 -6.849 -11.256 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.400 -8.518 -10.191 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.886 -8.948 -11.810 1.00 0.00 H new ATOM 182 N LEU A 12 -1.751 -6.138 -9.051 1.00 0.00 N ATOM 183 CA LEU A 12 -1.461 -5.690 -7.659 1.00 0.00 C ATOM 184 C LEU A 12 -1.681 -4.181 -7.530 1.00 0.00 C ATOM 185 O LEU A 12 -1.173 -3.402 -8.310 1.00 0.00 O ATOM 186 CB LEU A 12 0.013 -6.034 -7.435 1.00 0.00 C ATOM 187 CG LEU A 12 0.187 -6.668 -6.055 1.00 0.00 C ATOM 188 CD1 LEU A 12 1.674 -6.904 -5.786 1.00 0.00 C ATOM 189 CD2 LEU A 12 -0.382 -5.730 -4.990 1.00 0.00 C ATOM 0 H LEU A 12 -1.591 -5.437 -9.775 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.111 -6.169 -6.927 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.358 -6.721 -8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.623 -5.134 -7.512 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.343 -7.620 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.798 -7.356 -4.802 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.080 -7.572 -6.546 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.205 -5.953 -5.818 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.259 -6.180 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.148 -4.778 -5.023 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.442 -5.562 -5.182 1.00 0.00 H new ATOM 201 N ASP A 13 -2.434 -3.764 -6.549 1.00 0.00 N ATOM 202 CA ASP A 13 -2.683 -2.305 -6.373 1.00 0.00 C ATOM 203 C ASP A 13 -1.386 -1.524 -6.569 1.00 0.00 C ATOM 204 O ASP A 13 -0.355 -1.866 -6.027 1.00 0.00 O ATOM 205 CB ASP A 13 -3.188 -2.158 -4.938 1.00 0.00 C ATOM 206 CG ASP A 13 -4.703 -2.372 -4.906 1.00 0.00 C ATOM 207 OD1 ASP A 13 -5.394 -1.683 -5.639 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.146 -3.221 -4.151 1.00 0.00 O ATOM 0 H ASP A 13 -2.887 -4.369 -5.863 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.400 -1.917 -7.097 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.694 -2.883 -4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -2.942 -1.168 -4.554 1.00 0.00 H new ATOM 213 N ARG A 14 -1.428 -0.484 -7.350 1.00 0.00 N ATOM 214 CA ARG A 14 -0.198 0.311 -7.593 1.00 0.00 C ATOM 215 C ARG A 14 0.436 0.731 -6.264 1.00 0.00 C ATOM 216 O ARG A 14 1.643 0.810 -6.139 1.00 0.00 O ATOM 217 CB ARG A 14 -0.667 1.539 -8.373 1.00 0.00 C ATOM 218 CG ARG A 14 -0.992 1.135 -9.812 1.00 0.00 C ATOM 219 CD ARG A 14 0.204 0.395 -10.417 1.00 0.00 C ATOM 220 NE ARG A 14 -0.063 0.366 -11.882 1.00 0.00 N ATOM 221 CZ ARG A 14 -1.115 -0.253 -12.341 1.00 0.00 C ATOM 222 NH1 ARG A 14 -1.063 -1.534 -12.586 1.00 0.00 N ATOM 223 NH2 ARG A 14 -2.220 0.407 -12.556 1.00 0.00 N ATOM 0 H ARG A 14 -2.263 -0.150 -7.831 1.00 0.00 H new ATOM 0 HA ARG A 14 0.556 -0.256 -8.138 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.548 1.971 -7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.108 2.306 -8.365 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.876 0.497 -9.831 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.224 2.019 -10.406 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.139 0.909 -10.196 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.291 -0.613 -10.011 1.00 0.00 H new ATOM 0 HE ARG A 14 0.577 0.830 -12.526 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.200 -2.051 -12.418 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -1.886 -2.018 -12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.261 1.408 -12.365 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.042 -0.078 -12.915 1.00 0.00 H new ATOM 237 N ILE A 15 -0.367 1.007 -5.273 1.00 0.00 N ATOM 238 CA ILE A 15 0.191 1.430 -3.956 1.00 0.00 C ATOM 239 C ILE A 15 0.764 0.230 -3.202 1.00 0.00 C ATOM 240 O ILE A 15 1.623 0.372 -2.357 1.00 0.00 O ATOM 241 CB ILE A 15 -0.991 2.022 -3.196 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.751 2.992 -4.105 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.476 2.772 -1.969 1.00 0.00 C ATOM 244 CD1 ILE A 15 -0.762 3.943 -4.780 1.00 0.00 C ATOM 0 H ILE A 15 -1.385 0.958 -5.318 1.00 0.00 H new ATOM 0 HA ILE A 15 1.005 2.145 -4.070 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.661 1.221 -2.882 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.310 2.438 -4.859 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.477 3.559 -3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.318 3.197 -1.422 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.066 2.082 -1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.192 3.573 -2.286 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.304 4.633 -5.427 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.222 4.507 -4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.053 3.368 -5.376 1.00 0.00 H new ATOM 256 N ASP A 16 0.296 -0.950 -3.495 1.00 0.00 N ATOM 257 CA ASP A 16 0.820 -2.150 -2.783 1.00 0.00 C ATOM 258 C ASP A 16 2.150 -2.591 -3.395 1.00 0.00 C ATOM 259 O ASP A 16 3.149 -2.704 -2.712 1.00 0.00 O ATOM 260 CB ASP A 16 -0.246 -3.227 -2.985 1.00 0.00 C ATOM 261 CG ASP A 16 -1.533 -2.813 -2.267 1.00 0.00 C ATOM 262 OD1 ASP A 16 -1.614 -1.669 -1.852 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.414 -3.647 -2.144 1.00 0.00 O ATOM 0 H ASP A 16 -0.424 -1.136 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 16 1.007 -1.954 -1.727 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.439 -3.367 -4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 16 0.108 -4.182 -2.597 1.00 0.00 H new ATOM 268 N ARG A 17 2.175 -2.841 -4.674 1.00 0.00 N ATOM 269 CA ARG A 17 3.447 -3.271 -5.317 1.00 0.00 C ATOM 270 C ARG A 17 4.532 -2.233 -5.076 1.00 0.00 C ATOM 271 O ARG A 17 5.653 -2.556 -4.737 1.00 0.00 O ATOM 272 CB ARG A 17 3.127 -3.381 -6.806 1.00 0.00 C ATOM 273 CG ARG A 17 2.612 -2.035 -7.319 1.00 0.00 C ATOM 274 CD ARG A 17 2.138 -2.192 -8.764 1.00 0.00 C ATOM 275 NE ARG A 17 2.973 -1.238 -9.545 1.00 0.00 N ATOM 276 CZ ARG A 17 4.233 -1.498 -9.760 1.00 0.00 C ATOM 277 NH1 ARG A 17 4.617 -2.724 -9.991 1.00 0.00 N ATOM 278 NH2 ARG A 17 5.110 -0.532 -9.745 1.00 0.00 N ATOM 0 H ARG A 17 1.373 -2.767 -5.300 1.00 0.00 H new ATOM 0 HA ARG A 17 3.815 -4.214 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.019 -3.676 -7.359 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.378 -4.156 -6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.793 -1.683 -6.692 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.401 -1.285 -7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.273 -3.215 -9.115 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.077 -1.959 -8.860 1.00 0.00 H new ATOM 0 HE ARG A 17 2.560 -0.381 -9.912 1.00 0.00 H new ATOM 0 HH11 ARG A 17 3.932 -3.479 -10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.602 -2.927 -10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.810 0.426 -9.565 1.00 0.00 H new ATOM 0 HH22 ARG A 17 6.095 -0.735 -9.913 1.00 0.00 H new ATOM 292 N ASN A 18 4.204 -0.988 -5.223 1.00 0.00 N ATOM 293 CA ASN A 18 5.213 0.075 -4.975 1.00 0.00 C ATOM 294 C ASN A 18 5.579 0.083 -3.498 1.00 0.00 C ATOM 295 O ASN A 18 6.732 0.198 -3.131 1.00 0.00 O ATOM 296 CB ASN A 18 4.522 1.382 -5.367 1.00 0.00 C ATOM 297 CG ASN A 18 4.836 1.709 -6.827 1.00 0.00 C ATOM 298 OD1 ASN A 18 4.090 1.353 -7.716 1.00 0.00 O ATOM 299 ND2 ASN A 18 5.919 2.380 -7.114 1.00 0.00 N ATOM 0 H ASN A 18 3.281 -0.656 -5.504 1.00 0.00 H new ATOM 0 HA ASN A 18 6.133 -0.074 -5.541 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.445 1.292 -5.227 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.860 2.192 -4.721 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.138 2.605 -8.085 1.00 0.00 H new ATOM 0 HD22 ASN A 18 6.546 2.679 -6.368 1.00 0.00 H new ATOM 306 N ILE A 19 4.608 -0.066 -2.643 1.00 0.00 N ATOM 307 CA ILE A 19 4.902 -0.097 -1.190 1.00 0.00 C ATOM 308 C ILE A 19 5.743 -1.331 -0.864 1.00 0.00 C ATOM 309 O ILE A 19 6.614 -1.294 -0.018 1.00 0.00 O ATOM 310 CB ILE A 19 3.530 -0.171 -0.513 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.963 1.242 -0.363 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.670 -0.809 0.869 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.583 1.172 0.294 1.00 0.00 C ATOM 0 H ILE A 19 3.624 -0.168 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 19 5.468 0.771 -0.852 1.00 0.00 H new ATOM 0 HB ILE A 19 2.858 -0.775 -1.123 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.634 1.852 0.241 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.889 1.721 -1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.692 -0.860 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.076 -1.815 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.342 -0.208 1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.179 2.179 0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.914 0.577 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.671 0.710 1.277 1.00 0.00 H new ATOM 325 N LEU A 20 5.509 -2.420 -1.550 1.00 0.00 N ATOM 326 CA LEU A 20 6.319 -3.640 -1.294 1.00 0.00 C ATOM 327 C LEU A 20 7.740 -3.424 -1.815 1.00 0.00 C ATOM 328 O LEU A 20 8.707 -3.814 -1.191 1.00 0.00 O ATOM 329 CB LEU A 20 5.624 -4.754 -2.079 1.00 0.00 C ATOM 330 CG LEU A 20 4.368 -5.198 -1.332 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.423 -5.910 -2.302 1.00 0.00 C ATOM 332 CD2 LEU A 20 4.759 -6.158 -0.205 1.00 0.00 C ATOM 0 H LEU A 20 4.795 -2.514 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 20 6.391 -3.882 -0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.361 -4.401 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.301 -5.599 -2.208 1.00 0.00 H new ATOM 0 HG LEU A 20 3.868 -4.326 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.526 -6.227 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.146 -5.228 -3.106 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.923 -6.783 -2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.864 -6.476 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.259 -7.030 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.433 -5.652 0.486 1.00 0.00 H new ATOM 344 N ASN A 21 7.872 -2.780 -2.946 1.00 0.00 N ATOM 345 CA ASN A 21 9.231 -2.514 -3.493 1.00 0.00 C ATOM 346 C ASN A 21 9.948 -1.499 -2.605 1.00 0.00 C ATOM 347 O ASN A 21 11.154 -1.526 -2.459 1.00 0.00 O ATOM 348 CB ASN A 21 8.990 -1.934 -4.887 1.00 0.00 C ATOM 349 CG ASN A 21 8.467 -3.033 -5.814 1.00 0.00 C ATOM 350 OD1 ASN A 21 9.023 -3.203 -6.983 1.00 0.00 O flip ATOM 351 ND2 ASN A 21 7.544 -3.745 -5.472 1.00 0.00 N flip ATOM 0 H ASN A 21 7.099 -2.429 -3.511 1.00 0.00 H new ATOM 0 HA ASN A 21 9.852 -3.409 -3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.271 -1.117 -4.833 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.916 -1.518 -5.285 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.109 -3.613 -4.559 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.204 -4.475 -6.098 1.00 0.00 H new ATOM 358 N GLU A 22 9.208 -0.613 -1.995 1.00 0.00 N ATOM 359 CA GLU A 22 9.836 0.394 -1.098 1.00 0.00 C ATOM 360 C GLU A 22 10.164 -0.247 0.248 1.00 0.00 C ATOM 361 O GLU A 22 11.138 0.096 0.889 1.00 0.00 O ATOM 362 CB GLU A 22 8.783 1.491 -0.931 1.00 0.00 C ATOM 363 CG GLU A 22 8.656 2.283 -2.236 1.00 0.00 C ATOM 364 CD GLU A 22 10.044 2.723 -2.705 1.00 0.00 C ATOM 365 OE1 GLU A 22 10.760 3.305 -1.908 1.00 0.00 O ATOM 366 OE2 GLU A 22 10.366 2.470 -3.854 1.00 0.00 O ATOM 0 H GLU A 22 8.194 -0.545 -2.081 1.00 0.00 H new ATOM 0 HA GLU A 22 10.768 0.789 -1.502 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.822 1.050 -0.666 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.063 2.157 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.180 1.670 -3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.019 3.154 -2.084 1.00 0.00 H new ATOM 373 N LEU A 23 9.370 -1.191 0.673 1.00 0.00 N ATOM 374 CA LEU A 23 9.653 -1.870 1.964 1.00 0.00 C ATOM 375 C LEU A 23 10.848 -2.807 1.795 1.00 0.00 C ATOM 376 O LEU A 23 11.630 -3.005 2.703 1.00 0.00 O ATOM 377 CB LEU A 23 8.386 -2.662 2.279 1.00 0.00 C ATOM 378 CG LEU A 23 7.536 -1.886 3.285 1.00 0.00 C ATOM 379 CD1 LEU A 23 8.357 -1.617 4.546 1.00 0.00 C ATOM 380 CD2 LEU A 23 7.099 -0.556 2.668 1.00 0.00 C ATOM 0 H LEU A 23 8.539 -1.520 0.181 1.00 0.00 H new ATOM 0 HA LEU A 23 9.899 -1.172 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.818 -2.837 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.647 -3.639 2.685 1.00 0.00 H new ATOM 0 HG LEU A 23 6.655 -2.473 3.543 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.751 -1.064 5.263 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.667 -2.564 4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.239 -1.031 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.493 -0.003 3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.980 0.031 2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.513 -0.747 1.769 1.00 0.00 H new ATOM 392 N GLN A 24 11.003 -3.369 0.627 1.00 0.00 N ATOM 393 CA GLN A 24 12.157 -4.277 0.383 1.00 0.00 C ATOM 394 C GLN A 24 13.444 -3.460 0.249 1.00 0.00 C ATOM 395 O GLN A 24 14.508 -3.889 0.648 1.00 0.00 O ATOM 396 CB GLN A 24 11.833 -4.985 -0.933 1.00 0.00 C ATOM 397 CG GLN A 24 13.054 -5.781 -1.399 1.00 0.00 C ATOM 398 CD GLN A 24 13.507 -6.723 -0.283 1.00 0.00 C ATOM 399 OE1 GLN A 24 13.014 -7.828 -0.167 1.00 0.00 O ATOM 400 NE2 GLN A 24 14.434 -6.332 0.549 1.00 0.00 N ATOM 0 H GLN A 24 10.379 -3.238 -0.169 1.00 0.00 H new ATOM 0 HA GLN A 24 12.309 -4.985 1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.981 -5.651 -0.799 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.551 -4.255 -1.691 1.00 0.00 H new ATOM 0 HG2 GLN A 24 12.808 -6.353 -2.294 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.863 -5.102 -1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 24 14.848 -5.405 0.452 1.00 0.00 H new ATOM 0 HE22 GLN A 24 14.744 -6.954 1.296 1.00 0.00 H new ATOM 409 N LYS A 25 13.354 -2.279 -0.305 1.00 0.00 N ATOM 410 CA LYS A 25 14.573 -1.434 -0.454 1.00 0.00 C ATOM 411 C LYS A 25 14.928 -0.788 0.881 1.00 0.00 C ATOM 412 O LYS A 25 16.083 -0.605 1.208 1.00 0.00 O ATOM 413 CB LYS A 25 14.195 -0.374 -1.499 1.00 0.00 C ATOM 414 CG LYS A 25 13.792 0.933 -0.804 1.00 0.00 C ATOM 415 CD LYS A 25 13.315 1.939 -1.852 1.00 0.00 C ATOM 416 CE LYS A 25 13.324 3.346 -1.248 1.00 0.00 C ATOM 417 NZ LYS A 25 13.357 4.267 -2.420 1.00 0.00 N ATOM 0 H LYS A 25 12.492 -1.865 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 25 15.446 -2.009 -0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 25 15.037 -0.195 -2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.372 -0.736 -2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.000 0.743 -0.079 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.639 1.340 -0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 25 13.963 1.903 -2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.310 1.682 -2.188 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.439 3.518 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 25 14.191 3.494 -0.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.569 5.233 -2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.093 3.956 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.432 4.256 -2.896 1.00 0.00 H new ATOM 431 N ASP A 26 13.945 -0.452 1.661 1.00 0.00 N ATOM 432 CA ASP A 26 14.229 0.169 2.976 1.00 0.00 C ATOM 433 C ASP A 26 13.488 -0.585 4.086 1.00 0.00 C ATOM 434 O ASP A 26 12.475 -0.136 4.582 1.00 0.00 O ATOM 435 CB ASP A 26 13.705 1.601 2.861 1.00 0.00 C ATOM 436 CG ASP A 26 14.715 2.568 3.482 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.843 2.595 3.019 1.00 0.00 O ATOM 438 OD2 ASP A 26 14.342 3.266 4.410 1.00 0.00 O ATOM 0 H ASP A 26 12.957 -0.581 1.444 1.00 0.00 H new ATOM 0 HA ASP A 26 15.290 0.142 3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.539 1.855 1.814 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.743 1.689 3.367 1.00 0.00 H new ATOM 443 N GLY A 27 13.982 -1.731 4.469 1.00 0.00 N ATOM 444 CA GLY A 27 13.301 -2.519 5.540 1.00 0.00 C ATOM 445 C GLY A 27 13.379 -1.759 6.867 1.00 0.00 C ATOM 446 O GLY A 27 13.917 -2.247 7.840 1.00 0.00 O ATOM 0 H GLY A 27 14.827 -2.157 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.259 -2.694 5.270 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.772 -3.497 5.641 1.00 0.00 H new ATOM 450 N ARG A 28 12.842 -0.570 6.913 1.00 0.00 N ATOM 451 CA ARG A 28 12.883 0.218 8.178 1.00 0.00 C ATOM 452 C ARG A 28 12.158 1.555 7.995 1.00 0.00 C ATOM 453 O ARG A 28 12.491 2.543 8.620 1.00 0.00 O ATOM 454 CB ARG A 28 14.370 0.451 8.448 1.00 0.00 C ATOM 455 CG ARG A 28 14.934 1.430 7.415 1.00 0.00 C ATOM 456 CD ARG A 28 15.796 0.668 6.408 1.00 0.00 C ATOM 457 NE ARG A 28 16.860 0.025 7.225 1.00 0.00 N ATOM 458 CZ ARG A 28 17.079 -1.256 7.120 1.00 0.00 C ATOM 459 NH1 ARG A 28 17.263 -1.792 5.944 1.00 0.00 N ATOM 460 NH2 ARG A 28 17.112 -2.001 8.189 1.00 0.00 N ATOM 0 H ARG A 28 12.377 -0.111 6.130 1.00 0.00 H new ATOM 0 HA ARG A 28 12.392 -0.299 9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.509 0.848 9.454 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.911 -0.494 8.401 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.120 1.941 6.900 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.528 2.197 7.912 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.209 -0.075 5.868 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.222 1.341 5.663 1.00 0.00 H new ATOM 0 HE ARG A 28 17.419 0.587 7.868 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.235 -1.209 5.108 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.434 -2.794 5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.966 -1.582 9.107 1.00 0.00 H new ATOM 0 HH22 ARG A 28 17.283 -3.003 8.107 1.00 0.00 H new ATOM 474 N ILE A 29 11.173 1.596 7.140 1.00 0.00 N ATOM 475 CA ILE A 29 10.435 2.873 6.917 1.00 0.00 C ATOM 476 C ILE A 29 9.061 2.816 7.579 1.00 0.00 C ATOM 477 O ILE A 29 8.402 1.796 7.583 1.00 0.00 O ATOM 478 CB ILE A 29 10.296 2.992 5.398 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.644 4.332 5.052 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.429 1.848 4.869 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.353 4.387 3.551 1.00 0.00 C ATOM 0 H ILE A 29 10.847 0.803 6.587 1.00 0.00 H new ATOM 0 HA ILE A 29 10.956 3.729 7.347 1.00 0.00 H new ATOM 0 HB ILE A 29 11.283 2.937 4.938 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.720 4.455 5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.303 5.153 5.336 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.332 1.935 3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 29 9.895 0.894 5.116 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.441 1.898 5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.888 5.342 3.305 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.285 4.283 2.996 1.00 0.00 H new ATOM 0 HD13 ILE A 29 8.678 3.575 3.281 1.00 0.00 H new ATOM 493 N SER A 30 8.628 3.906 8.149 1.00 0.00 N ATOM 494 CA SER A 30 7.303 3.917 8.821 1.00 0.00 C ATOM 495 C SER A 30 6.200 4.285 7.823 1.00 0.00 C ATOM 496 O SER A 30 6.441 4.940 6.829 1.00 0.00 O ATOM 497 CB SER A 30 7.419 4.988 9.904 1.00 0.00 C ATOM 498 OG SER A 30 8.504 5.854 9.595 1.00 0.00 O ATOM 0 H SER A 30 9.137 4.790 8.177 1.00 0.00 H new ATOM 0 HA SER A 30 7.044 2.942 9.233 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.492 5.557 9.969 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.576 4.522 10.877 1.00 0.00 H new ATOM 0 HG SER A 30 8.580 6.543 10.287 1.00 0.00 H new ATOM 504 N ASN A 31 4.991 3.869 8.085 1.00 0.00 N ATOM 505 CA ASN A 31 3.869 4.195 7.156 1.00 0.00 C ATOM 506 C ASN A 31 3.938 5.665 6.732 1.00 0.00 C ATOM 507 O ASN A 31 3.976 5.972 5.559 1.00 0.00 O ATOM 508 CB ASN A 31 2.597 3.918 7.972 1.00 0.00 C ATOM 509 CG ASN A 31 1.468 4.842 7.509 1.00 0.00 C ATOM 510 OD1 ASN A 31 1.139 4.870 6.248 1.00 0.00 O flip ATOM 511 ND2 ASN A 31 0.881 5.547 8.305 1.00 0.00 N flip ATOM 0 H ASN A 31 4.730 3.317 8.902 1.00 0.00 H new ATOM 0 HA ASN A 31 3.902 3.608 6.238 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.298 2.877 7.853 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.794 4.074 9.033 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.138 5.525 9.292 1.00 0.00 H new ATOM 0 HD22 ASN A 31 0.131 6.161 7.987 1.00 0.00 H new ATOM 518 N VAL A 32 3.960 6.575 7.671 1.00 0.00 N ATOM 519 CA VAL A 32 4.035 8.020 7.297 1.00 0.00 C ATOM 520 C VAL A 32 4.966 8.190 6.102 1.00 0.00 C ATOM 521 O VAL A 32 4.563 8.646 5.049 1.00 0.00 O ATOM 522 CB VAL A 32 4.603 8.721 8.531 1.00 0.00 C ATOM 523 CG1 VAL A 32 4.786 10.210 8.234 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.636 8.548 9.704 1.00 0.00 C ATOM 0 H VAL A 32 3.930 6.383 8.672 1.00 0.00 H new ATOM 0 HA VAL A 32 3.067 8.432 7.013 1.00 0.00 H new ATOM 0 HB VAL A 32 5.567 8.282 8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.191 10.709 9.114 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.475 10.332 7.398 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.823 10.651 7.978 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.040 9.047 10.585 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.672 8.987 9.448 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.507 7.487 9.916 1.00 0.00 H new ATOM 534 N GLU A 33 6.195 7.778 6.233 1.00 0.00 N ATOM 535 CA GLU A 33 7.120 7.862 5.079 1.00 0.00 C ATOM 536 C GLU A 33 6.617 6.929 3.985 1.00 0.00 C ATOM 537 O GLU A 33 6.636 7.250 2.817 1.00 0.00 O ATOM 538 CB GLU A 33 8.473 7.390 5.614 1.00 0.00 C ATOM 539 CG GLU A 33 9.526 8.471 5.367 1.00 0.00 C ATOM 540 CD GLU A 33 9.563 9.429 6.558 1.00 0.00 C ATOM 541 OE1 GLU A 33 8.510 9.918 6.932 1.00 0.00 O ATOM 542 OE2 GLU A 33 10.643 9.657 7.077 1.00 0.00 O ATOM 0 H GLU A 33 6.594 7.389 7.087 1.00 0.00 H new ATOM 0 HA GLU A 33 7.192 8.865 4.658 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.400 7.176 6.680 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.767 6.463 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.505 8.014 5.224 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.293 9.018 4.454 1.00 0.00 H new ATOM 549 N LEU A 34 6.127 5.782 4.371 1.00 0.00 N ATOM 550 CA LEU A 34 5.580 4.823 3.376 1.00 0.00 C ATOM 551 C LEU A 34 4.379 5.440 2.660 1.00 0.00 C ATOM 552 O LEU A 34 3.922 4.942 1.657 1.00 0.00 O ATOM 553 CB LEU A 34 5.144 3.612 4.197 1.00 0.00 C ATOM 554 CG LEU A 34 5.611 2.331 3.507 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.108 1.120 4.291 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.050 2.285 2.082 1.00 0.00 C ATOM 0 H LEU A 34 6.083 5.468 5.341 1.00 0.00 H new ATOM 0 HA LEU A 34 6.309 4.558 2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.564 3.670 5.201 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.059 3.604 4.305 1.00 0.00 H new ATOM 0 HG LEU A 34 6.700 2.314 3.469 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.440 0.205 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.506 1.153 5.305 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.019 1.137 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.383 1.371 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.961 2.301 2.119 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.407 3.150 1.522 1.00 0.00 H new ATOM 568 N SER A 35 3.843 6.502 3.197 1.00 0.00 N ATOM 569 CA SER A 35 2.649 7.139 2.573 1.00 0.00 C ATOM 570 C SER A 35 3.055 8.174 1.514 1.00 0.00 C ATOM 571 O SER A 35 2.538 8.186 0.415 1.00 0.00 O ATOM 572 CB SER A 35 1.934 7.827 3.723 1.00 0.00 C ATOM 573 OG SER A 35 2.541 9.089 3.968 1.00 0.00 O ATOM 0 H SER A 35 4.182 6.957 4.044 1.00 0.00 H new ATOM 0 HA SER A 35 2.025 6.405 2.063 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.879 7.959 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.982 7.208 4.619 1.00 0.00 H new ATOM 0 HG SER A 35 3.186 9.005 4.701 1.00 0.00 H new ATOM 579 N LYS A 36 3.938 9.074 1.855 1.00 0.00 N ATOM 580 CA LYS A 36 4.329 10.145 0.887 1.00 0.00 C ATOM 581 C LYS A 36 5.384 9.647 -0.112 1.00 0.00 C ATOM 582 O LYS A 36 5.520 10.182 -1.194 1.00 0.00 O ATOM 583 CB LYS A 36 4.904 11.261 1.757 1.00 0.00 C ATOM 584 CG LYS A 36 3.821 11.770 2.712 1.00 0.00 C ATOM 585 CD LYS A 36 4.463 12.634 3.799 1.00 0.00 C ATOM 586 CE LYS A 36 3.997 12.154 5.175 1.00 0.00 C ATOM 587 NZ LYS A 36 4.015 13.373 6.031 1.00 0.00 N ATOM 0 H LYS A 36 4.406 9.116 2.760 1.00 0.00 H new ATOM 0 HA LYS A 36 3.480 10.473 0.287 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.759 10.892 2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.264 12.077 1.130 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.080 12.350 2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.296 10.929 3.164 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.549 12.575 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.190 13.680 3.655 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.998 11.721 5.125 1.00 0.00 H new ATOM 0 HE3 LYS A 36 4.659 11.384 5.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.707 13.126 6.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 4.980 13.759 6.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 3.370 14.086 5.634 1.00 0.00 H new ATOM 601 N ARG A 37 6.138 8.644 0.238 1.00 0.00 N ATOM 602 CA ARG A 37 7.186 8.145 -0.700 1.00 0.00 C ATOM 603 C ARG A 37 6.542 7.371 -1.856 1.00 0.00 C ATOM 604 O ARG A 37 7.158 7.132 -2.877 1.00 0.00 O ATOM 605 CB ARG A 37 8.084 7.238 0.153 1.00 0.00 C ATOM 606 CG ARG A 37 8.149 5.836 -0.451 1.00 0.00 C ATOM 607 CD ARG A 37 9.271 5.048 0.225 1.00 0.00 C ATOM 608 NE ARG A 37 10.484 5.334 -0.590 1.00 0.00 N ATOM 609 CZ ARG A 37 11.211 6.386 -0.329 1.00 0.00 C ATOM 610 NH1 ARG A 37 12.169 6.315 0.554 1.00 0.00 N ATOM 611 NH2 ARG A 37 10.981 7.510 -0.950 1.00 0.00 N ATOM 0 H ARG A 37 6.076 8.149 1.128 1.00 0.00 H new ATOM 0 HA ARG A 37 7.757 8.954 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.086 7.662 0.215 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.697 7.185 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.196 5.324 -0.315 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.328 5.898 -1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.407 5.363 1.260 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.049 3.981 0.243 1.00 0.00 H new ATOM 0 HE ARG A 37 10.746 4.708 -1.352 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.350 5.437 1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.737 7.137 0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.232 7.567 -1.640 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.550 8.332 -0.745 1.00 0.00 H new ATOM 625 N VAL A 38 5.308 6.999 -1.710 1.00 0.00 N ATOM 626 CA VAL A 38 4.615 6.260 -2.812 1.00 0.00 C ATOM 627 C VAL A 38 3.646 7.193 -3.534 1.00 0.00 C ATOM 628 O VAL A 38 3.215 6.927 -4.637 1.00 0.00 O ATOM 629 CB VAL A 38 3.859 5.110 -2.134 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.793 3.909 -1.974 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.366 5.555 -0.760 1.00 0.00 C ATOM 0 H VAL A 38 4.742 7.171 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 38 5.317 5.885 -3.557 1.00 0.00 H new ATOM 0 HB VAL A 38 3.005 4.830 -2.750 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.256 3.092 -1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.141 3.586 -2.955 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.648 4.192 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.830 4.735 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.218 5.840 -0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.698 6.409 -0.872 1.00 0.00 H new ATOM 641 N GLY A 39 3.316 8.293 -2.923 1.00 0.00 N ATOM 642 CA GLY A 39 2.391 9.261 -3.575 1.00 0.00 C ATOM 643 C GLY A 39 0.974 9.100 -3.011 1.00 0.00 C ATOM 644 O GLY A 39 -0.001 9.201 -3.728 1.00 0.00 O ATOM 0 H GLY A 39 3.647 8.566 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.743 10.279 -3.410 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.382 9.098 -4.653 1.00 0.00 H new ATOM 648 N LEU A 40 0.848 8.866 -1.732 1.00 0.00 N ATOM 649 CA LEU A 40 -0.516 8.718 -1.133 1.00 0.00 C ATOM 650 C LEU A 40 -0.506 9.118 0.335 1.00 0.00 C ATOM 651 O LEU A 40 0.535 9.284 0.939 1.00 0.00 O ATOM 652 CB LEU A 40 -0.863 7.232 -1.248 1.00 0.00 C ATOM 653 CG LEU A 40 0.393 6.392 -1.048 1.00 0.00 C ATOM 654 CD1 LEU A 40 0.092 5.231 -0.095 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.854 5.838 -2.396 1.00 0.00 C ATOM 0 H LEU A 40 1.624 8.771 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.238 9.355 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.612 6.965 -0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.298 7.025 -2.226 1.00 0.00 H new ATOM 0 HG LEU A 40 1.179 7.014 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.992 4.633 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.235 5.625 0.867 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.695 4.608 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.752 5.237 -2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.066 5.218 -2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.073 6.664 -3.073 1.00 0.00 H new ATOM 667 N SER A 41 -1.660 9.223 0.927 1.00 0.00 N ATOM 668 CA SER A 41 -1.722 9.552 2.370 1.00 0.00 C ATOM 669 C SER A 41 -1.352 8.325 3.168 1.00 0.00 C ATOM 670 O SER A 41 -1.385 7.223 2.660 1.00 0.00 O ATOM 671 CB SER A 41 -3.170 9.940 2.636 1.00 0.00 C ATOM 672 OG SER A 41 -3.327 11.341 2.450 1.00 0.00 O ATOM 0 H SER A 41 -2.563 9.094 0.471 1.00 0.00 H new ATOM 0 HA SER A 41 -1.039 10.354 2.649 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.833 9.396 1.963 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.451 9.663 3.652 1.00 0.00 H new ATOM 0 HG SER A 41 -4.259 11.591 2.619 1.00 0.00 H new ATOM 678 N PRO A 42 -0.988 8.547 4.382 1.00 0.00 N ATOM 679 CA PRO A 42 -0.579 7.437 5.238 1.00 0.00 C ATOM 680 C PRO A 42 -1.789 6.613 5.675 1.00 0.00 C ATOM 681 O PRO A 42 -1.834 5.418 5.471 1.00 0.00 O ATOM 682 CB PRO A 42 0.088 8.118 6.420 1.00 0.00 C ATOM 683 CG PRO A 42 -0.515 9.489 6.472 1.00 0.00 C ATOM 684 CD PRO A 42 -0.925 9.841 5.063 1.00 0.00 C ATOM 0 HA PRO A 42 0.086 6.734 4.736 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -0.096 7.571 7.345 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.169 8.167 6.288 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.376 9.507 7.141 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.203 10.213 6.857 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.888 10.351 5.043 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.202 10.506 4.591 1.00 0.00 H new ATOM 692 N THR A 43 -2.778 7.237 6.261 1.00 0.00 N ATOM 693 CA THR A 43 -3.980 6.466 6.692 1.00 0.00 C ATOM 694 C THR A 43 -4.305 5.392 5.653 1.00 0.00 C ATOM 695 O THR A 43 -4.431 4.230 5.983 1.00 0.00 O ATOM 696 CB THR A 43 -5.109 7.490 6.781 1.00 0.00 C ATOM 697 OG1 THR A 43 -4.561 8.801 6.791 1.00 0.00 O ATOM 698 CG2 THR A 43 -5.900 7.255 8.066 1.00 0.00 C ATOM 0 H THR A 43 -2.805 8.237 6.458 1.00 0.00 H new ATOM 0 HA THR A 43 -3.827 5.958 7.644 1.00 0.00 H new ATOM 0 HB THR A 43 -5.770 7.383 5.921 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.286 9.458 6.846 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.708 7.984 8.135 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.319 6.249 8.056 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.239 7.364 8.926 1.00 0.00 H new ATOM 706 N PRO A 44 -4.398 5.814 4.419 1.00 0.00 N ATOM 707 CA PRO A 44 -4.668 4.870 3.322 1.00 0.00 C ATOM 708 C PRO A 44 -3.402 4.085 2.994 1.00 0.00 C ATOM 709 O PRO A 44 -3.438 2.884 2.822 1.00 0.00 O ATOM 710 CB PRO A 44 -5.070 5.764 2.159 1.00 0.00 C ATOM 711 CG PRO A 44 -4.428 7.090 2.444 1.00 0.00 C ATOM 712 CD PRO A 44 -4.263 7.196 3.945 1.00 0.00 C ATOM 0 HA PRO A 44 -5.437 4.136 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.724 5.355 1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.154 5.858 2.090 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.462 7.165 1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.045 7.905 2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.293 7.615 4.211 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.021 7.844 4.385 1.00 0.00 H new ATOM 720 N CYS A 45 -2.268 4.744 2.937 1.00 0.00 N ATOM 721 CA CYS A 45 -1.009 4.000 2.662 1.00 0.00 C ATOM 722 C CYS A 45 -1.033 2.709 3.451 1.00 0.00 C ATOM 723 O CYS A 45 -0.746 1.645 2.941 1.00 0.00 O ATOM 724 CB CYS A 45 0.115 4.902 3.157 1.00 0.00 C ATOM 725 SG CYS A 45 1.699 4.054 2.946 1.00 0.00 S ATOM 0 H CYS A 45 -2.165 5.750 3.068 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.882 3.756 1.607 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.115 5.840 2.602 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -0.040 5.152 4.207 1.00 0.00 H new ATOM 0 HG CYS A 45 2.326 4.553 1.922 1.00 0.00 H new ATOM 731 N LEU A 46 -1.442 2.786 4.684 1.00 0.00 N ATOM 732 CA LEU A 46 -1.563 1.561 5.492 1.00 0.00 C ATOM 733 C LEU A 46 -2.654 0.700 4.889 1.00 0.00 C ATOM 734 O LEU A 46 -2.448 -0.449 4.581 1.00 0.00 O ATOM 735 CB LEU A 46 -1.954 2.041 6.882 1.00 0.00 C ATOM 736 CG LEU A 46 -0.878 2.992 7.402 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.508 4.343 7.746 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.230 2.399 8.654 1.00 0.00 C ATOM 0 H LEU A 46 -1.697 3.650 5.162 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.648 0.969 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.919 2.547 6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.063 1.192 7.556 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.119 3.131 6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.738 5.020 8.117 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.966 4.769 6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.270 4.204 8.513 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.537 3.079 9.023 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.989 2.256 9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.224 1.439 8.409 1.00 0.00 H new ATOM 750 N GLU A 47 -3.811 1.264 4.661 1.00 0.00 N ATOM 751 CA GLU A 47 -4.892 0.476 4.018 1.00 0.00 C ATOM 752 C GLU A 47 -4.289 -0.330 2.866 1.00 0.00 C ATOM 753 O GLU A 47 -4.616 -1.484 2.653 1.00 0.00 O ATOM 754 CB GLU A 47 -5.895 1.508 3.495 1.00 0.00 C ATOM 755 CG GLU A 47 -6.815 1.949 4.635 1.00 0.00 C ATOM 756 CD GLU A 47 -8.272 1.875 4.173 1.00 0.00 C ATOM 757 OE1 GLU A 47 -8.630 2.625 3.280 1.00 0.00 O ATOM 758 OE2 GLU A 47 -9.005 1.067 4.720 1.00 0.00 O ATOM 0 H GLU A 47 -4.049 2.229 4.892 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.374 -0.224 4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.367 2.369 3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.483 1.080 2.683 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.665 1.310 5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.571 2.966 4.941 1.00 0.00 H new ATOM 765 N ARG A 48 -3.363 0.265 2.155 1.00 0.00 N ATOM 766 CA ARG A 48 -2.686 -0.461 1.046 1.00 0.00 C ATOM 767 C ARG A 48 -1.749 -1.520 1.635 1.00 0.00 C ATOM 768 O ARG A 48 -1.843 -2.698 1.331 1.00 0.00 O ATOM 769 CB ARG A 48 -1.883 0.612 0.294 1.00 0.00 C ATOM 770 CG ARG A 48 -2.777 1.826 0.016 1.00 0.00 C ATOM 771 CD ARG A 48 -3.529 1.618 -1.299 1.00 0.00 C ATOM 772 NE ARG A 48 -4.970 1.670 -0.927 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.542 2.818 -0.686 1.00 0.00 C ATOM 774 NH1 ARG A 48 -5.535 3.754 -1.595 1.00 0.00 N ATOM 775 NH2 ARG A 48 -6.121 3.030 0.464 1.00 0.00 N ATOM 0 H ARG A 48 -3.049 1.225 2.298 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.387 -0.971 0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.018 0.913 0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.503 0.206 -0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.485 1.964 0.833 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.172 2.731 -0.038 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.280 2.393 -2.024 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.272 0.661 -1.754 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.510 0.808 -0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.082 3.588 -2.494 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.982 4.651 -1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.127 2.298 1.175 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.568 3.927 0.652 1.00 0.00 H new ATOM 789 N VAL A 49 -0.863 -1.111 2.502 1.00 0.00 N ATOM 790 CA VAL A 49 0.063 -2.084 3.140 1.00 0.00 C ATOM 791 C VAL A 49 -0.740 -3.128 3.919 1.00 0.00 C ATOM 792 O VAL A 49 -0.541 -4.318 3.771 1.00 0.00 O ATOM 793 CB VAL A 49 0.934 -1.236 4.081 1.00 0.00 C ATOM 794 CG1 VAL A 49 0.816 -1.752 5.520 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.391 -1.327 3.630 1.00 0.00 C ATOM 0 H VAL A 49 -0.742 -0.142 2.795 1.00 0.00 H new ATOM 0 HA VAL A 49 0.669 -2.631 2.418 1.00 0.00 H new ATOM 0 HB VAL A 49 0.595 -0.201 4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.437 -1.143 6.177 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.223 -1.691 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.149 -2.789 5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.015 -0.728 4.293 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.718 -2.366 3.664 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.480 -0.952 2.610 1.00 0.00 H new ATOM 805 N ARG A 50 -1.654 -2.688 4.741 1.00 0.00 N ATOM 806 CA ARG A 50 -2.478 -3.646 5.520 1.00 0.00 C ATOM 807 C ARG A 50 -2.881 -4.810 4.628 1.00 0.00 C ATOM 808 O ARG A 50 -2.666 -5.962 4.952 1.00 0.00 O ATOM 809 CB ARG A 50 -3.711 -2.851 5.959 1.00 0.00 C ATOM 810 CG ARG A 50 -3.270 -1.585 6.699 1.00 0.00 C ATOM 811 CD ARG A 50 -3.587 -1.722 8.186 1.00 0.00 C ATOM 812 NE ARG A 50 -5.010 -1.300 8.315 1.00 0.00 N ATOM 813 CZ ARG A 50 -5.964 -2.098 7.922 1.00 0.00 C ATOM 814 NH1 ARG A 50 -6.338 -2.101 6.672 1.00 0.00 N ATOM 815 NH2 ARG A 50 -6.544 -2.893 8.779 1.00 0.00 N ATOM 0 H ARG A 50 -1.863 -1.703 4.905 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.944 -4.060 6.375 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.313 -2.585 5.090 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.339 -3.463 6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.201 -1.424 6.558 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.781 -0.715 6.287 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.447 -2.748 8.527 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.932 -1.093 8.789 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.238 -0.388 8.710 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.884 -1.479 6.002 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.084 -2.725 6.364 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.251 -2.890 9.756 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.290 -3.517 8.472 1.00 0.00 H new ATOM 829 N ARG A 51 -3.429 -4.518 3.486 1.00 0.00 N ATOM 830 CA ARG A 51 -3.803 -5.609 2.549 1.00 0.00 C ATOM 831 C ARG A 51 -2.598 -6.526 2.354 1.00 0.00 C ATOM 832 O ARG A 51 -2.708 -7.734 2.391 1.00 0.00 O ATOM 833 CB ARG A 51 -4.181 -4.900 1.239 1.00 0.00 C ATOM 834 CG ARG A 51 -3.525 -5.612 0.050 1.00 0.00 C ATOM 835 CD ARG A 51 -4.063 -7.043 -0.053 1.00 0.00 C ATOM 836 NE ARG A 51 -5.295 -6.930 -0.883 1.00 0.00 N ATOM 837 CZ ARG A 51 -5.777 -7.984 -1.486 1.00 0.00 C ATOM 838 NH1 ARG A 51 -5.070 -8.594 -2.399 1.00 0.00 N ATOM 839 NH2 ARG A 51 -6.964 -8.427 -1.176 1.00 0.00 N ATOM 0 H ARG A 51 -3.634 -3.573 3.161 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.626 -6.225 2.911 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.264 -4.895 1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.859 -3.859 1.273 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.732 -5.068 -0.872 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.442 -5.628 0.175 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.334 -7.707 -0.517 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.286 -7.453 0.932 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.763 -6.029 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.142 -8.248 -2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.446 -9.417 -2.870 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -7.516 -7.951 -0.463 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -7.340 -9.250 -1.647 1.00 0.00 H new ATOM 853 N LEU A 52 -1.437 -5.952 2.173 1.00 0.00 N ATOM 854 CA LEU A 52 -0.215 -6.785 2.007 1.00 0.00 C ATOM 855 C LEU A 52 0.090 -7.527 3.311 1.00 0.00 C ATOM 856 O LEU A 52 0.831 -8.490 3.332 1.00 0.00 O ATOM 857 CB LEU A 52 0.901 -5.792 1.686 1.00 0.00 C ATOM 858 CG LEU A 52 0.662 -5.187 0.304 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.740 -4.142 0.013 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.727 -6.292 -0.754 1.00 0.00 C ATOM 0 H LEU A 52 -1.285 -4.944 2.133 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.328 -7.537 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.930 -5.005 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.868 -6.294 1.713 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.320 -4.715 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.571 -3.709 -0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.697 -3.356 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.722 -4.615 0.038 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.557 -5.861 -1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.710 -6.763 -0.728 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.039 -7.039 -0.547 1.00 0.00 H new ATOM 872 N GLU A 53 -0.480 -7.085 4.399 1.00 0.00 N ATOM 873 CA GLU A 53 -0.227 -7.762 5.705 1.00 0.00 C ATOM 874 C GLU A 53 -0.982 -9.093 5.767 1.00 0.00 C ATOM 875 O GLU A 53 -0.390 -10.152 5.831 1.00 0.00 O ATOM 876 CB GLU A 53 -0.764 -6.794 6.762 1.00 0.00 C ATOM 877 CG GLU A 53 0.330 -6.496 7.789 1.00 0.00 C ATOM 878 CD GLU A 53 0.770 -7.796 8.464 1.00 0.00 C ATOM 879 OE1 GLU A 53 0.513 -8.850 7.904 1.00 0.00 O ATOM 880 OE2 GLU A 53 1.358 -7.717 9.531 1.00 0.00 O ATOM 0 H GLU A 53 -1.110 -6.284 4.441 1.00 0.00 H new ATOM 0 HA GLU A 53 0.829 -7.988 5.855 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.094 -5.869 6.289 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.634 -7.226 7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.181 -6.022 7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.040 -5.794 8.536 1.00 0.00 H new ATOM 887 N ARG A 54 -2.288 -9.046 5.751 1.00 0.00 N ATOM 888 CA ARG A 54 -3.081 -10.309 5.812 1.00 0.00 C ATOM 889 C ARG A 54 -2.524 -11.337 4.824 1.00 0.00 C ATOM 890 O ARG A 54 -2.671 -12.530 5.006 1.00 0.00 O ATOM 891 CB ARG A 54 -4.504 -9.904 5.419 1.00 0.00 C ATOM 892 CG ARG A 54 -4.459 -9.008 4.180 1.00 0.00 C ATOM 893 CD ARG A 54 -5.653 -9.325 3.275 1.00 0.00 C ATOM 894 NE ARG A 54 -6.826 -9.364 4.192 1.00 0.00 N ATOM 895 CZ ARG A 54 -7.970 -9.834 3.769 1.00 0.00 C ATOM 896 NH1 ARG A 54 -8.336 -9.649 2.529 1.00 0.00 N ATOM 897 NH2 ARG A 54 -8.748 -10.488 4.588 1.00 0.00 N ATOM 0 H ARG A 54 -2.839 -8.189 5.698 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.045 -10.769 6.800 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.103 -10.792 5.216 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.984 -9.377 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.482 -7.959 4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.527 -9.166 3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -5.778 -8.564 2.505 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -5.519 -10.278 2.763 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.737 -9.024 5.150 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.729 -9.137 1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -9.229 -10.016 2.201 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.463 -10.632 5.557 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.641 -10.855 4.259 1.00 0.00 H new ATOM 911 N GLN A 55 -1.885 -10.886 3.780 1.00 0.00 N ATOM 912 CA GLN A 55 -1.320 -11.840 2.781 1.00 0.00 C ATOM 913 C GLN A 55 0.040 -12.359 3.255 1.00 0.00 C ATOM 914 O GLN A 55 0.740 -13.044 2.536 1.00 0.00 O ATOM 915 CB GLN A 55 -1.164 -11.022 1.498 1.00 0.00 C ATOM 916 CG GLN A 55 -2.514 -10.411 1.117 1.00 0.00 C ATOM 917 CD GLN A 55 -2.950 -10.945 -0.251 1.00 0.00 C ATOM 918 OE1 GLN A 55 -2.134 -11.126 -1.133 1.00 0.00 O ATOM 919 NE2 GLN A 55 -4.212 -11.203 -0.466 1.00 0.00 N ATOM 0 H GLN A 55 -1.729 -9.899 3.574 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.958 -12.711 2.635 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.424 -10.235 1.643 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.799 -11.657 0.691 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.262 -10.657 1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.438 -9.324 1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.897 -11.051 0.274 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.513 -11.556 -1.374 1.00 0.00 H new ATOM 928 N GLY A 56 0.416 -12.042 4.462 1.00 0.00 N ATOM 929 CA GLY A 56 1.727 -12.519 4.985 1.00 0.00 C ATOM 930 C GLY A 56 2.862 -11.925 4.148 1.00 0.00 C ATOM 931 O GLY A 56 3.774 -12.617 3.743 1.00 0.00 O ATOM 0 H GLY A 56 -0.128 -11.473 5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.841 -12.228 6.029 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.769 -13.608 4.952 1.00 0.00 H new ATOM 935 N PHE A 57 2.817 -10.647 3.890 1.00 0.00 N ATOM 936 CA PHE A 57 3.898 -10.010 3.082 1.00 0.00 C ATOM 937 C PHE A 57 4.451 -8.784 3.813 1.00 0.00 C ATOM 938 O PHE A 57 5.207 -8.008 3.262 1.00 0.00 O ATOM 939 CB PHE A 57 3.226 -9.600 1.772 1.00 0.00 C ATOM 940 CG PHE A 57 2.819 -10.837 1.003 1.00 0.00 C ATOM 941 CD1 PHE A 57 3.637 -11.976 1.021 1.00 0.00 C ATOM 942 CD2 PHE A 57 1.625 -10.846 0.272 1.00 0.00 C ATOM 943 CE1 PHE A 57 3.261 -13.120 0.310 1.00 0.00 C ATOM 944 CE2 PHE A 57 1.249 -11.992 -0.441 1.00 0.00 C ATOM 945 CZ PHE A 57 2.067 -13.129 -0.421 1.00 0.00 C ATOM 0 H PHE A 57 2.080 -10.016 4.203 1.00 0.00 H new ATOM 0 HA PHE A 57 4.739 -10.683 2.913 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.351 -8.983 1.978 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.909 -8.996 1.174 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.558 -11.970 1.585 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.994 -9.970 0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.892 -13.997 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.329 -11.999 -1.006 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.777 -14.013 -0.970 1.00 0.00 H new ATOM 955 N ILE A 58 4.085 -8.607 5.054 1.00 0.00 N ATOM 956 CA ILE A 58 4.593 -7.435 5.826 1.00 0.00 C ATOM 957 C ILE A 58 4.901 -7.842 7.270 1.00 0.00 C ATOM 958 O ILE A 58 4.506 -7.183 8.208 1.00 0.00 O ATOM 959 CB ILE A 58 3.461 -6.407 5.789 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.797 -6.414 4.406 1.00 0.00 C ATOM 961 CG2 ILE A 58 4.033 -5.017 6.067 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.787 -5.895 3.361 1.00 0.00 C ATOM 0 H ILE A 58 3.456 -9.224 5.568 1.00 0.00 H new ATOM 0 HA ILE A 58 5.516 -7.037 5.405 1.00 0.00 H new ATOM 0 HB ILE A 58 2.719 -6.660 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.478 -7.424 4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.903 -5.790 4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.229 -4.281 6.042 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.503 -5.007 7.050 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.775 -4.770 5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.315 -5.900 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.085 -4.878 3.615 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.668 -6.537 3.344 1.00 0.00 H new ATOM 974 N GLN A 59 5.614 -8.920 7.452 1.00 0.00 N ATOM 975 CA GLN A 59 5.959 -9.360 8.836 1.00 0.00 C ATOM 976 C GLN A 59 7.133 -8.537 9.370 1.00 0.00 C ATOM 977 O GLN A 59 7.399 -8.506 10.555 1.00 0.00 O ATOM 978 CB GLN A 59 6.353 -10.831 8.701 1.00 0.00 C ATOM 979 CG GLN A 59 7.522 -10.960 7.721 1.00 0.00 C ATOM 980 CD GLN A 59 8.822 -11.160 8.502 1.00 0.00 C ATOM 981 OE1 GLN A 59 8.798 -11.477 9.675 1.00 0.00 O ATOM 982 NE2 GLN A 59 9.966 -10.989 7.896 1.00 0.00 N ATOM 0 H GLN A 59 5.972 -9.515 6.705 1.00 0.00 H new ATOM 0 HA GLN A 59 5.131 -9.225 9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 59 6.635 -11.234 9.674 1.00 0.00 H new ATOM 0 HB3 GLN A 59 5.503 -11.415 8.348 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.356 -11.802 7.049 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.591 -10.066 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 59 9.987 -10.723 6.912 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.839 -11.122 8.407 1.00 0.00 H new ATOM 991 N GLY A 60 7.828 -7.864 8.500 1.00 0.00 N ATOM 992 CA GLY A 60 8.980 -7.029 8.940 1.00 0.00 C ATOM 993 C GLY A 60 8.903 -5.668 8.248 1.00 0.00 C ATOM 994 O GLY A 60 9.056 -4.634 8.867 1.00 0.00 O ATOM 0 H GLY A 60 7.648 -7.855 7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.961 -6.902 10.022 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.919 -7.524 8.693 1.00 0.00 H new ATOM 998 N TYR A 61 8.649 -5.665 6.968 1.00 0.00 N ATOM 999 CA TYR A 61 8.538 -4.374 6.229 1.00 0.00 C ATOM 1000 C TYR A 61 7.572 -3.444 6.944 1.00 0.00 C ATOM 1001 O TYR A 61 7.908 -2.842 7.945 1.00 0.00 O ATOM 1002 CB TYR A 61 8.004 -4.763 4.851 1.00 0.00 C ATOM 1003 CG TYR A 61 9.086 -5.481 4.079 1.00 0.00 C ATOM 1004 CD1 TYR A 61 10.360 -4.912 3.966 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.815 -6.714 3.475 1.00 0.00 C ATOM 1006 CE1 TYR A 61 11.363 -5.577 3.251 1.00 0.00 C ATOM 1007 CE2 TYR A 61 9.818 -7.380 2.760 1.00 0.00 C ATOM 1008 CZ TYR A 61 11.091 -6.811 2.647 1.00 0.00 C ATOM 1009 OH TYR A 61 12.080 -7.465 1.941 1.00 0.00 O ATOM 0 H TYR A 61 8.513 -6.502 6.401 1.00 0.00 H new ATOM 0 HA TYR A 61 9.488 -3.844 6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 61 7.129 -5.405 4.956 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.684 -3.874 4.308 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.569 -3.960 4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.832 -7.152 3.560 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.346 -5.139 3.165 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.609 -8.333 2.296 1.00 0.00 H new ATOM 0 HH TYR A 61 11.777 -7.622 1.022 1.00 0.00 H new ATOM 1019 N THR A 62 6.380 -3.316 6.455 1.00 0.00 N ATOM 1020 CA THR A 62 5.416 -2.424 7.129 1.00 0.00 C ATOM 1021 C THR A 62 4.712 -3.175 8.250 1.00 0.00 C ATOM 1022 O THR A 62 3.719 -2.725 8.784 1.00 0.00 O ATOM 1023 CB THR A 62 4.424 -2.012 6.050 1.00 0.00 C ATOM 1024 OG1 THR A 62 5.089 -1.939 4.797 1.00 0.00 O ATOM 1025 CG2 THR A 62 3.845 -0.649 6.400 1.00 0.00 C ATOM 0 H THR A 62 6.033 -3.789 5.621 1.00 0.00 H new ATOM 0 HA THR A 62 5.900 -1.557 7.579 1.00 0.00 H new ATOM 0 HB THR A 62 3.621 -2.747 5.989 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.775 -2.664 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.134 -0.348 5.631 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.337 -0.706 7.363 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.649 0.084 6.457 1.00 0.00 H new ATOM 1033 N ALA A 63 5.225 -4.316 8.620 1.00 0.00 N ATOM 1034 CA ALA A 63 4.592 -5.090 9.716 1.00 0.00 C ATOM 1035 C ALA A 63 4.179 -4.139 10.847 1.00 0.00 C ATOM 1036 O ALA A 63 3.251 -4.400 11.588 1.00 0.00 O ATOM 1037 CB ALA A 63 5.676 -6.056 10.196 1.00 0.00 C ATOM 0 H ALA A 63 6.055 -4.743 8.209 1.00 0.00 H new ATOM 0 HA ALA A 63 3.695 -5.618 9.393 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.285 -6.667 11.010 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.979 -6.701 9.371 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.538 -5.490 10.550 1.00 0.00 H new ATOM 1043 N LEU A 64 4.867 -3.030 10.976 1.00 0.00 N ATOM 1044 CA LEU A 64 4.522 -2.048 12.048 1.00 0.00 C ATOM 1045 C LEU A 64 3.055 -1.651 11.947 1.00 0.00 C ATOM 1046 O LEU A 64 2.401 -1.379 12.935 1.00 0.00 O ATOM 1047 CB LEU A 64 5.420 -0.837 11.778 1.00 0.00 C ATOM 1048 CG LEU A 64 5.420 -0.516 10.281 1.00 0.00 C ATOM 1049 CD1 LEU A 64 4.829 0.877 10.059 1.00 0.00 C ATOM 1050 CD2 LEU A 64 6.856 -0.551 9.753 1.00 0.00 C ATOM 0 H LEU A 64 5.653 -2.764 10.384 1.00 0.00 H new ATOM 0 HA LEU A 64 4.674 -2.458 13.047 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.065 0.024 12.344 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.436 -1.043 12.115 1.00 0.00 H new ATOM 0 HG LEU A 64 4.819 -1.254 9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.829 1.106 8.993 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.807 0.903 10.436 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.430 1.616 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.857 -0.323 8.687 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.457 0.188 10.283 1.00 0.00 H new ATOM 0 HD23 LEU A 64 7.278 -1.543 9.912 1.00 0.00 H new ATOM 1062 N LEU A 65 2.537 -1.615 10.761 1.00 0.00 N ATOM 1063 CA LEU A 65 1.106 -1.238 10.575 1.00 0.00 C ATOM 1064 C LEU A 65 0.190 -2.209 11.330 1.00 0.00 C ATOM 1065 O LEU A 65 -1.002 -1.996 11.439 1.00 0.00 O ATOM 1066 CB LEU A 65 0.872 -1.308 9.050 1.00 0.00 C ATOM 1067 CG LEU A 65 0.383 -2.711 8.628 1.00 0.00 C ATOM 1068 CD1 LEU A 65 1.232 -3.794 9.301 1.00 0.00 C ATOM 1069 CD2 LEU A 65 -1.085 -2.886 9.028 1.00 0.00 C ATOM 0 H LEU A 65 3.042 -1.831 9.901 1.00 0.00 H new ATOM 0 HA LEU A 65 0.882 -0.247 10.969 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.136 -0.559 8.757 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.797 -1.068 8.525 1.00 0.00 H new ATOM 0 HG LEU A 65 0.480 -2.808 7.547 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.876 -4.778 8.995 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.274 -3.676 9.004 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.150 -3.700 10.384 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.428 -3.877 8.729 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.183 -2.779 10.108 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.690 -2.128 8.532 1.00 0.00 H new ATOM 1081 N ASN A 66 0.737 -3.266 11.857 1.00 0.00 N ATOM 1082 CA ASN A 66 -0.101 -4.243 12.609 1.00 0.00 C ATOM 1083 C ASN A 66 -1.017 -3.509 13.593 1.00 0.00 C ATOM 1084 O ASN A 66 -0.598 -3.305 14.721 1.00 0.00 O ATOM 1085 CB ASN A 66 0.897 -5.122 13.362 1.00 0.00 C ATOM 1086 CG ASN A 66 0.175 -6.352 13.915 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -0.984 -6.573 13.624 1.00 0.00 O ATOM 1088 ND2 ASN A 66 0.814 -7.167 14.710 1.00 0.00 N ATOM 1089 OXT ASN A 66 -2.118 -3.163 13.203 1.00 0.00 O ATOM 0 H ASN A 66 1.729 -3.498 11.801 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.745 -4.827 11.951 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.703 -5.429 12.696 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.353 -4.558 14.176 1.00 0.00 H new ATOM 0 HD21 ASN A 66 0.340 -7.988 15.086 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.787 -6.982 14.955 1.00 0.00 H new TER 1096 ASN A 66