USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 589 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 NoAdj-H: A 115 HIS HD1 : A 115 HIS ND1 : A 1 ZNZN :(H bumps) USER MOD Set 1.1: A 116 LYS NZ :NH3+ 178:sc= -0.815 (180deg=-0.6) USER MOD Set 1.2: A 120 GLN : amide:sc= -2.76! K(o=-3.6!,f=-1.3) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.375 X(o=-0.37,f=0) USER MOD Single : A 68 CYS SG : rot -107:sc= -0.243 USER MOD Single : A 82 ASN : amide:sc= -1.24 K(o=-1.2,f=-0.26) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -156:sc= -0.176 (180deg=-0.859) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= -0.203 (180deg=-0.757) USER MOD Single : A 92 SER OG : rot 150:sc= 0 USER MOD Single : A 94 SER OG : rot 72:sc= 0.275 USER MOD Single : A 95 GLN : amide:sc= -0.874 X(o=-0.87,f=-0.42) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 152:sc= -0.0756 (180deg=-0.52) USER MOD Single : A 99 LYS NZ :NH3+ -162:sc=-0.00582 (180deg=-0.35) USER MOD Single : A 104 LYS NZ :NH3+ 167:sc=-0.00972 (180deg=-0.24) USER MOD Single : A 105 SER OG : rot -17:sc= 0.187 USER MOD Single : A 108 HIS : no HE2:sc= -0.879 K(o=-0.88,f=-8.1!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.982 K(o=-0.98,f=0.89) USER MOD Single : A 127 LYS NZ :NH3+ -157:sc= -0.237 (180deg=-0.805) USER MOD Single : A 129 LYS NZ :NH3+ 157:sc= -0.0352 (180deg=-0.234) USER MOD Single : A 131 SER OG : rot -7:sc= 1.61 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 61 -14.608 -2.210 16.444 1.00 0.00 N ATOM 2 CA SER A 61 -15.665 -2.693 15.529 1.00 0.00 C ATOM 3 C SER A 61 -15.197 -2.726 14.074 1.00 0.00 C ATOM 4 O SER A 61 -14.605 -3.711 13.640 1.00 0.00 O ATOM 5 CB SER A 61 -16.930 -1.843 15.661 1.00 0.00 C ATOM 6 OG SER A 61 -17.920 -2.535 16.399 1.00 0.00 O ATOM 0 HA SER A 61 -15.896 -3.717 15.823 1.00 0.00 H new ATOM 0 HB2 SER A 61 -16.692 -0.901 16.155 1.00 0.00 H new ATOM 0 HB3 SER A 61 -17.313 -1.595 14.671 1.00 0.00 H new ATOM 0 HG SER A 61 -18.721 -1.976 16.475 1.00 0.00 H new ATOM 14 N ASN A 62 -15.439 -1.652 13.323 1.00 0.00 N ATOM 15 CA ASN A 62 -15.066 -1.629 11.912 1.00 0.00 C ATOM 16 C ASN A 62 -13.557 -1.692 11.714 1.00 0.00 C ATOM 17 O ASN A 62 -12.879 -0.669 11.617 1.00 0.00 O ATOM 18 CB ASN A 62 -15.648 -0.405 11.206 1.00 0.00 C ATOM 19 CG ASN A 62 -16.445 -0.793 9.973 1.00 0.00 C ATOM 20 OD1 ASN A 62 -15.967 -0.670 8.843 1.00 0.00 O ATOM 21 ND2 ASN A 62 -17.661 -1.281 10.186 1.00 0.00 N ATOM 0 H ASN A 62 -15.885 -0.800 13.662 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.493 -2.525 11.461 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -16.290 0.142 11.897 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.840 0.268 10.920 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.239 -1.572 9.398 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.017 -1.365 11.138 1.00 0.00 H new ATOM 28 N ALA A 63 -13.047 -2.915 11.676 1.00 0.00 N ATOM 29 CA ALA A 63 -11.629 -3.163 11.459 1.00 0.00 C ATOM 30 C ALA A 63 -11.393 -4.617 11.055 1.00 0.00 C ATOM 31 O ALA A 63 -10.290 -5.142 11.206 1.00 0.00 O ATOM 32 CB ALA A 63 -10.831 -2.821 12.708 1.00 0.00 C ATOM 0 H ALA A 63 -13.603 -3.762 11.794 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.289 -2.522 10.646 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.773 -3.012 12.528 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.973 -1.768 12.953 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -11.175 -3.437 13.539 1.00 0.00 H new ATOM 38 N GLY A 64 -12.432 -5.258 10.520 1.00 0.00 N ATOM 39 CA GLY A 64 -12.321 -6.645 10.114 1.00 0.00 C ATOM 40 C GLY A 64 -12.220 -6.791 8.613 1.00 0.00 C ATOM 41 O GLY A 64 -12.749 -7.740 8.034 1.00 0.00 O ATOM 0 H GLY A 64 -13.348 -4.838 10.362 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.442 -7.090 10.581 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -13.188 -7.198 10.474 1.00 0.00 H new ATOM 45 N GLN A 65 -11.541 -5.841 7.984 1.00 0.00 N ATOM 46 CA GLN A 65 -11.365 -5.853 6.540 1.00 0.00 C ATOM 47 C GLN A 65 -9.930 -6.217 6.178 1.00 0.00 C ATOM 48 O GLN A 65 -8.995 -5.886 6.906 1.00 0.00 O ATOM 49 CB GLN A 65 -11.708 -4.483 5.955 1.00 0.00 C ATOM 50 CG GLN A 65 -12.883 -3.797 6.637 1.00 0.00 C ATOM 51 CD GLN A 65 -14.225 -4.337 6.185 1.00 0.00 C ATOM 52 OE1 GLN A 65 -14.780 -3.888 5.182 1.00 0.00 O ATOM 53 NE2 GLN A 65 -14.761 -5.297 6.931 1.00 0.00 N ATOM 0 H GLN A 65 -11.102 -5.050 8.454 1.00 0.00 H new ATOM 0 HA GLN A 65 -12.036 -6.602 6.121 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.832 -3.838 6.027 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -11.933 -4.598 4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -12.792 -3.920 7.716 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -12.840 -2.727 6.434 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -14.266 -5.640 7.754 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.668 -5.691 6.680 1.00 0.00 H new ATOM 62 N LEU A 66 -9.761 -6.900 5.054 1.00 0.00 N ATOM 63 CA LEU A 66 -8.436 -7.297 4.597 1.00 0.00 C ATOM 64 C LEU A 66 -7.909 -6.306 3.563 1.00 0.00 C ATOM 65 O LEU A 66 -8.681 -5.715 2.808 1.00 0.00 O ATOM 66 CB LEU A 66 -8.480 -8.704 3.994 1.00 0.00 C ATOM 67 CG LEU A 66 -9.062 -9.785 4.907 1.00 0.00 C ATOM 68 CD1 LEU A 66 -9.221 -11.092 4.148 1.00 0.00 C ATOM 69 CD2 LEU A 66 -8.179 -9.983 6.130 1.00 0.00 C ATOM 0 H LEU A 66 -10.524 -7.190 4.442 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.764 -7.301 5.455 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.067 -8.671 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.467 -8.994 3.714 1.00 0.00 H new ATOM 0 HG LEU A 66 -10.046 -9.459 5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.636 -11.850 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.893 -10.943 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.248 -11.422 3.784 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.609 -10.755 6.768 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.181 -10.287 5.813 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.113 -9.048 6.687 1.00 0.00 H new ATOM 81 N CYS A 67 -6.592 -6.124 3.538 1.00 0.00 N ATOM 82 CA CYS A 67 -5.958 -5.209 2.593 1.00 0.00 C ATOM 83 C CYS A 67 -6.467 -5.458 1.174 1.00 0.00 C ATOM 84 O CYS A 67 -6.853 -6.577 0.836 1.00 0.00 O ATOM 85 CB CYS A 67 -4.440 -5.379 2.647 1.00 0.00 C ATOM 86 SG CYS A 67 -3.531 -4.343 1.479 1.00 0.00 S ATOM 0 H CYS A 67 -5.941 -6.599 4.163 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.214 -4.187 2.872 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.097 -5.154 3.657 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -4.196 -6.424 2.453 1.00 0.00 H new ATOM 91 N CYS A 68 -6.461 -4.417 0.342 1.00 0.00 N ATOM 92 CA CYS A 68 -6.942 -4.542 -1.033 1.00 0.00 C ATOM 93 C CYS A 68 -5.811 -4.437 -2.056 1.00 0.00 C ATOM 94 O CYS A 68 -6.009 -3.922 -3.155 1.00 0.00 O ATOM 95 CB CYS A 68 -8.008 -3.484 -1.329 1.00 0.00 C ATOM 96 SG CYS A 68 -7.509 -1.794 -0.926 1.00 0.00 S ATOM 0 H CYS A 68 -6.131 -3.485 0.593 1.00 0.00 H new ATOM 0 HA CYS A 68 -7.380 -5.536 -1.125 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.267 -3.532 -2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -8.911 -3.728 -0.769 1.00 0.00 H new ATOM 0 HG CYS A 68 -8.138 -1.398 0.140 1.00 0.00 H new ATOM 102 N LEU A 69 -4.625 -4.913 -1.691 1.00 0.00 N ATOM 103 CA LEU A 69 -3.489 -4.903 -2.607 1.00 0.00 C ATOM 104 C LEU A 69 -3.124 -6.327 -3.008 1.00 0.00 C ATOM 105 O LEU A 69 -3.438 -7.280 -2.295 1.00 0.00 O ATOM 106 CB LEU A 69 -2.284 -4.213 -1.973 1.00 0.00 C ATOM 107 CG LEU A 69 -2.487 -2.733 -1.666 1.00 0.00 C ATOM 108 CD1 LEU A 69 -1.258 -2.159 -0.977 1.00 0.00 C ATOM 109 CD2 LEU A 69 -2.795 -1.962 -2.941 1.00 0.00 C ATOM 0 H LEU A 69 -4.425 -5.309 -0.772 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.775 -4.344 -3.498 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.031 -4.731 -1.048 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.429 -4.318 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.337 -2.634 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.420 -1.102 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.081 -2.693 -0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.391 -2.270 -1.628 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.937 -0.908 -2.703 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.965 -2.068 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.704 -2.357 -3.395 1.00 0.00 H new ATOM 121 N ARG A 70 -2.461 -6.468 -4.150 1.00 0.00 N ATOM 122 CA ARG A 70 -2.067 -7.783 -4.636 1.00 0.00 C ATOM 123 C ARG A 70 -0.563 -7.872 -4.848 1.00 0.00 C ATOM 124 O ARG A 70 -0.008 -7.195 -5.712 1.00 0.00 O ATOM 125 CB ARG A 70 -2.784 -8.107 -5.945 1.00 0.00 C ATOM 126 CG ARG A 70 -4.295 -7.997 -5.845 1.00 0.00 C ATOM 127 CD ARG A 70 -5.004 -8.759 -6.959 1.00 0.00 C ATOM 128 NE ARG A 70 -4.677 -10.188 -6.959 1.00 0.00 N ATOM 129 CZ ARG A 70 -5.506 -11.150 -7.365 1.00 0.00 C ATOM 130 NH1 ARG A 70 -6.730 -10.860 -7.787 1.00 0.00 N ATOM 131 NH2 ARG A 70 -5.104 -12.414 -7.347 1.00 0.00 N ATOM 0 H ARG A 70 -2.187 -5.692 -4.753 1.00 0.00 H new ATOM 0 HA ARG A 70 -2.352 -8.509 -3.875 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.428 -7.432 -6.723 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.520 -9.118 -6.255 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.622 -8.382 -4.879 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -4.584 -6.947 -5.885 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.082 -8.636 -6.850 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.730 -8.327 -7.922 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.753 -10.465 -6.626 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.047 -9.891 -7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.354 -11.606 -8.095 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.165 -12.646 -7.024 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.734 -13.154 -7.656 1.00 0.00 H new ATOM 145 N GLU A 71 0.092 -8.708 -4.053 1.00 0.00 N ATOM 146 CA GLU A 71 1.530 -8.898 -4.173 1.00 0.00 C ATOM 147 C GLU A 71 1.825 -10.196 -4.914 1.00 0.00 C ATOM 148 O GLU A 71 1.661 -11.286 -4.367 1.00 0.00 O ATOM 149 CB GLU A 71 2.193 -8.921 -2.797 1.00 0.00 C ATOM 150 CG GLU A 71 3.695 -9.138 -2.861 1.00 0.00 C ATOM 151 CD GLU A 71 4.281 -9.555 -1.529 1.00 0.00 C ATOM 152 OE1 GLU A 71 3.547 -10.166 -0.724 1.00 0.00 O ATOM 153 OE2 GLU A 71 5.474 -9.273 -1.289 1.00 0.00 O ATOM 0 H GLU A 71 -0.349 -9.264 -3.320 1.00 0.00 H new ATOM 0 HA GLU A 71 1.940 -8.061 -4.738 1.00 0.00 H new ATOM 0 HB2 GLU A 71 1.990 -7.979 -2.287 1.00 0.00 H new ATOM 0 HB3 GLU A 71 1.743 -9.712 -2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.916 -9.902 -3.606 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.177 -8.219 -3.194 1.00 0.00 H new ATOM 160 N ASP A 72 2.253 -10.066 -6.165 1.00 0.00 N ATOM 161 CA ASP A 72 2.561 -11.223 -6.996 1.00 0.00 C ATOM 162 C ASP A 72 1.349 -12.143 -7.111 1.00 0.00 C ATOM 163 O ASP A 72 1.468 -13.364 -7.012 1.00 0.00 O ATOM 164 CB ASP A 72 3.758 -11.990 -6.431 1.00 0.00 C ATOM 165 CG ASP A 72 4.865 -12.154 -7.456 1.00 0.00 C ATOM 166 OD1 ASP A 72 5.148 -11.177 -8.181 1.00 0.00 O ATOM 167 OD2 ASP A 72 5.449 -13.254 -7.532 1.00 0.00 O ATOM 0 H ASP A 72 2.395 -9.168 -6.627 1.00 0.00 H new ATOM 0 HA ASP A 72 2.818 -10.865 -7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 72 4.147 -11.464 -5.559 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.431 -12.972 -6.091 1.00 0.00 H new ATOM 172 N GLY A 73 0.181 -11.542 -7.322 1.00 0.00 N ATOM 173 CA GLY A 73 -1.040 -12.312 -7.459 1.00 0.00 C ATOM 174 C GLY A 73 -1.684 -12.659 -6.128 1.00 0.00 C ATOM 175 O GLY A 73 -2.827 -13.114 -6.091 1.00 0.00 O ATOM 0 H GLY A 73 0.060 -10.532 -7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.751 -11.748 -8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.822 -13.233 -8.000 1.00 0.00 H new ATOM 179 N GLU A 74 -0.962 -12.438 -5.032 1.00 0.00 N ATOM 180 CA GLU A 74 -1.484 -12.750 -3.705 1.00 0.00 C ATOM 181 C GLU A 74 -2.257 -11.571 -3.123 1.00 0.00 C ATOM 182 O GLU A 74 -1.767 -10.443 -3.101 1.00 0.00 O ATOM 183 CB GLU A 74 -0.350 -13.156 -2.763 1.00 0.00 C ATOM 184 CG GLU A 74 -0.211 -14.660 -2.610 1.00 0.00 C ATOM 185 CD GLU A 74 -1.513 -15.321 -2.201 1.00 0.00 C ATOM 186 OE1 GLU A 74 -2.322 -15.645 -3.097 1.00 0.00 O ATOM 187 OE2 GLU A 74 -1.728 -15.508 -0.985 1.00 0.00 O ATOM 0 H GLU A 74 -0.020 -12.047 -5.036 1.00 0.00 H new ATOM 0 HA GLU A 74 -2.173 -13.589 -3.808 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.589 -12.747 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.524 -12.712 -1.783 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.131 -15.088 -3.552 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.554 -14.878 -1.865 1.00 0.00 H new ATOM 194 N ARG A 75 -3.466 -11.851 -2.639 1.00 0.00 N ATOM 195 CA ARG A 75 -4.327 -10.817 -2.072 1.00 0.00 C ATOM 196 C ARG A 75 -3.957 -10.499 -0.624 1.00 0.00 C ATOM 197 O ARG A 75 -4.772 -10.667 0.280 1.00 0.00 O ATOM 198 CB ARG A 75 -5.788 -11.264 -2.138 1.00 0.00 C ATOM 199 CG ARG A 75 -6.272 -11.593 -3.542 1.00 0.00 C ATOM 200 CD ARG A 75 -6.690 -10.343 -4.295 1.00 0.00 C ATOM 201 NE ARG A 75 -7.515 -9.463 -3.473 1.00 0.00 N ATOM 202 CZ ARG A 75 -8.813 -9.658 -3.264 1.00 0.00 C ATOM 203 NH1 ARG A 75 -9.429 -10.687 -3.828 1.00 0.00 N ATOM 204 NH2 ARG A 75 -9.496 -8.823 -2.493 1.00 0.00 N ATOM 0 H ARG A 75 -3.871 -12.787 -2.629 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.186 -9.911 -2.662 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.917 -12.142 -1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.417 -10.477 -1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.480 -12.102 -4.091 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.114 -12.283 -3.485 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.802 -9.804 -4.625 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.242 -10.626 -5.191 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.072 -8.655 -3.036 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.907 -11.330 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -10.425 -10.836 -3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.025 -8.029 -2.059 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.492 -8.975 -2.334 1.00 0.00 H new ATOM 218 N CYS A 76 -2.735 -10.015 -0.426 1.00 0.00 N ATOM 219 CA CYS A 76 -2.233 -9.641 0.900 1.00 0.00 C ATOM 220 C CYS A 76 -2.657 -10.633 1.997 1.00 0.00 C ATOM 221 O CYS A 76 -1.916 -11.565 2.311 1.00 0.00 O ATOM 222 CB CYS A 76 -2.678 -8.212 1.235 1.00 0.00 C ATOM 223 SG CYS A 76 -1.840 -7.485 2.663 1.00 0.00 S ATOM 0 H CYS A 76 -2.061 -9.869 -1.178 1.00 0.00 H new ATOM 0 HA CYS A 76 -1.144 -9.679 0.867 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -2.505 -7.577 0.366 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -3.752 -8.213 1.421 1.00 0.00 H new ATOM 228 N GLY A 77 -3.839 -10.438 2.584 1.00 0.00 N ATOM 229 CA GLY A 77 -4.298 -11.332 3.634 1.00 0.00 C ATOM 230 C GLY A 77 -4.268 -10.690 5.010 1.00 0.00 C ATOM 231 O GLY A 77 -4.805 -11.244 5.970 1.00 0.00 O ATOM 0 H GLY A 77 -4.482 -9.681 2.352 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -5.315 -11.655 3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.674 -12.226 3.642 1.00 0.00 H new ATOM 235 N ARG A 78 -3.635 -9.523 5.114 1.00 0.00 N ATOM 236 CA ARG A 78 -3.546 -8.815 6.385 1.00 0.00 C ATOM 237 C ARG A 78 -4.709 -7.837 6.533 1.00 0.00 C ATOM 238 O ARG A 78 -5.264 -7.364 5.542 1.00 0.00 O ATOM 239 CB ARG A 78 -2.212 -8.073 6.486 1.00 0.00 C ATOM 240 CG ARG A 78 -1.835 -7.688 7.908 1.00 0.00 C ATOM 241 CD ARG A 78 -0.448 -7.071 7.965 1.00 0.00 C ATOM 242 NE ARG A 78 -0.030 -6.788 9.336 1.00 0.00 N ATOM 243 CZ ARG A 78 1.241 -6.737 9.730 1.00 0.00 C ATOM 244 NH1 ARG A 78 2.224 -6.940 8.861 1.00 0.00 N ATOM 245 NH2 ARG A 78 1.531 -6.482 10.998 1.00 0.00 N ATOM 0 H ARG A 78 -3.178 -9.050 4.334 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.602 -9.544 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.425 -8.700 6.067 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -2.260 -7.172 5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.566 -6.981 8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -1.869 -8.571 8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.269 -7.748 7.500 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.438 -6.148 7.385 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.755 -6.619 10.033 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.008 -7.137 7.884 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.195 -6.899 9.171 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.781 -6.325 11.671 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.504 -6.443 11.301 1.00 0.00 H new ATOM 259 N ALA A 79 -5.071 -7.536 7.775 1.00 0.00 N ATOM 260 CA ALA A 79 -6.178 -6.625 8.053 1.00 0.00 C ATOM 261 C ALA A 79 -5.842 -5.188 7.665 1.00 0.00 C ATOM 262 O ALA A 79 -4.725 -4.720 7.882 1.00 0.00 O ATOM 263 CB ALA A 79 -6.558 -6.695 9.524 1.00 0.00 C ATOM 0 H ALA A 79 -4.614 -7.909 8.607 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.026 -6.941 7.445 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.384 -6.012 9.719 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.861 -7.712 9.773 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.701 -6.412 10.135 1.00 0.00 H new ATOM 269 N ALA A 80 -6.822 -4.494 7.089 1.00 0.00 N ATOM 270 CA ALA A 80 -6.641 -3.105 6.689 1.00 0.00 C ATOM 271 C ALA A 80 -6.290 -2.254 7.902 1.00 0.00 C ATOM 272 O ALA A 80 -6.716 -2.552 9.019 1.00 0.00 O ATOM 273 CB ALA A 80 -7.895 -2.579 6.008 1.00 0.00 C ATOM 0 H ALA A 80 -7.748 -4.873 6.890 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.819 -3.049 5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.742 -1.540 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -8.106 -3.178 5.122 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -8.737 -2.642 6.697 1.00 0.00 H new ATOM 279 N GLY A 81 -5.524 -1.192 7.684 1.00 0.00 N ATOM 280 CA GLY A 81 -5.117 -0.344 8.786 1.00 0.00 C ATOM 281 C GLY A 81 -5.814 1.003 8.820 1.00 0.00 C ATOM 282 O GLY A 81 -7.039 1.088 8.723 1.00 0.00 O ATOM 0 H GLY A 81 -5.179 -0.904 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.312 -0.866 9.723 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.041 -0.183 8.728 1.00 0.00 H new ATOM 286 N ASN A 82 -5.017 2.058 8.955 1.00 0.00 N ATOM 287 CA ASN A 82 -5.537 3.420 9.044 1.00 0.00 C ATOM 288 C ASN A 82 -5.096 4.281 7.858 1.00 0.00 C ATOM 289 O ASN A 82 -5.493 5.441 7.750 1.00 0.00 O ATOM 290 CB ASN A 82 -5.056 4.079 10.343 1.00 0.00 C ATOM 291 CG ASN A 82 -4.849 3.083 11.473 1.00 0.00 C ATOM 292 OD1 ASN A 82 -3.871 3.166 12.217 1.00 0.00 O ATOM 293 ND2 ASN A 82 -5.770 2.135 11.605 1.00 0.00 N ATOM 0 H ASN A 82 -4.000 1.996 9.006 1.00 0.00 H new ATOM 0 HA ASN A 82 -6.625 3.352 9.032 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.120 4.604 10.153 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -5.784 4.828 10.655 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.683 1.439 12.345 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -6.565 2.103 10.966 1.00 0.00 H new ATOM 300 N ALA A 83 -4.270 3.723 6.977 1.00 0.00 N ATOM 301 CA ALA A 83 -3.779 4.467 5.824 1.00 0.00 C ATOM 302 C ALA A 83 -4.739 4.375 4.646 1.00 0.00 C ATOM 303 O ALA A 83 -5.828 3.820 4.761 1.00 0.00 O ATOM 304 CB ALA A 83 -2.403 3.961 5.422 1.00 0.00 C ATOM 0 H ALA A 83 -3.929 2.764 7.040 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.707 5.516 6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -2.046 4.524 4.560 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.710 4.092 6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.465 2.904 5.165 1.00 0.00 H new ATOM 310 N SER A 84 -4.320 4.935 3.516 1.00 0.00 N ATOM 311 CA SER A 84 -5.123 4.921 2.301 1.00 0.00 C ATOM 312 C SER A 84 -4.233 4.678 1.089 1.00 0.00 C ATOM 313 O SER A 84 -3.017 4.544 1.220 1.00 0.00 O ATOM 314 CB SER A 84 -5.863 6.251 2.134 1.00 0.00 C ATOM 315 OG SER A 84 -6.314 6.748 3.381 1.00 0.00 O ATOM 0 H SER A 84 -3.421 5.407 3.418 1.00 0.00 H new ATOM 0 HA SER A 84 -5.854 4.116 2.380 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.202 6.981 1.666 1.00 0.00 H new ATOM 0 HB3 SER A 84 -6.713 6.115 1.465 1.00 0.00 H new ATOM 0 HG SER A 84 -6.781 7.598 3.244 1.00 0.00 H new ATOM 321 N PHE A 85 -4.841 4.617 -0.087 1.00 0.00 N ATOM 322 CA PHE A 85 -4.095 4.411 -1.323 1.00 0.00 C ATOM 323 C PHE A 85 -4.156 5.669 -2.176 1.00 0.00 C ATOM 324 O PHE A 85 -5.060 5.838 -2.994 1.00 0.00 O ATOM 325 CB PHE A 85 -4.657 3.217 -2.089 1.00 0.00 C ATOM 326 CG PHE A 85 -3.936 2.911 -3.372 1.00 0.00 C ATOM 327 CD1 PHE A 85 -2.693 2.292 -3.361 1.00 0.00 C ATOM 328 CD2 PHE A 85 -4.517 3.215 -4.591 1.00 0.00 C ATOM 329 CE1 PHE A 85 -2.048 1.988 -4.545 1.00 0.00 C ATOM 330 CE2 PHE A 85 -3.880 2.905 -5.776 1.00 0.00 C ATOM 331 CZ PHE A 85 -2.647 2.292 -5.754 1.00 0.00 C ATOM 0 H PHE A 85 -5.849 4.707 -0.213 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.054 4.201 -1.079 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.620 2.338 -1.446 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -5.707 3.405 -2.312 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -2.226 2.046 -2.419 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.481 3.701 -4.615 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.078 1.514 -4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.348 3.143 -6.720 1.00 0.00 H new ATOM 0 HZ PHE A 85 -2.148 2.049 -6.680 1.00 0.00 H new ATOM 341 N SER A 86 -3.190 6.554 -1.968 1.00 0.00 N ATOM 342 CA SER A 86 -3.133 7.816 -2.694 1.00 0.00 C ATOM 343 C SER A 86 -2.381 7.669 -4.012 1.00 0.00 C ATOM 344 O SER A 86 -2.084 6.560 -4.453 1.00 0.00 O ATOM 345 CB SER A 86 -2.456 8.877 -1.823 1.00 0.00 C ATOM 346 OG SER A 86 -1.137 8.488 -1.482 1.00 0.00 O ATOM 0 H SER A 86 -2.432 6.420 -1.299 1.00 0.00 H new ATOM 0 HA SER A 86 -4.153 8.123 -2.925 1.00 0.00 H new ATOM 0 HB2 SER A 86 -2.432 9.828 -2.355 1.00 0.00 H new ATOM 0 HB3 SER A 86 -3.039 9.034 -0.915 1.00 0.00 H new ATOM 0 HG SER A 86 -0.724 9.182 -0.927 1.00 0.00 H new ATOM 352 N LYS A 87 -2.124 8.803 -4.658 1.00 0.00 N ATOM 353 CA LYS A 87 -1.396 8.836 -5.921 1.00 0.00 C ATOM 354 C LYS A 87 0.109 8.679 -5.690 1.00 0.00 C ATOM 355 O LYS A 87 0.807 8.032 -6.471 1.00 0.00 O ATOM 356 CB LYS A 87 -1.684 10.150 -6.648 1.00 0.00 C ATOM 357 CG LYS A 87 -3.150 10.555 -6.609 1.00 0.00 C ATOM 358 CD LYS A 87 -3.828 10.328 -7.949 1.00 0.00 C ATOM 359 CE LYS A 87 -5.336 10.209 -7.798 1.00 0.00 C ATOM 360 NZ LYS A 87 -5.717 9.061 -6.929 1.00 0.00 N ATOM 0 H LYS A 87 -2.414 9.721 -4.322 1.00 0.00 H new ATOM 0 HA LYS A 87 -1.732 8.002 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.084 10.943 -6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.368 10.058 -7.687 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.666 9.983 -5.838 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.231 11.606 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -3.593 11.153 -8.621 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.435 9.421 -8.408 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.733 11.132 -7.375 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.791 10.087 -8.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -6.684 8.757 -7.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -5.059 8.272 -7.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -5.674 9.352 -5.931 1.00 0.00 H new ATOM 374 N ARG A 88 0.598 9.297 -4.616 1.00 0.00 N ATOM 375 CA ARG A 88 2.016 9.240 -4.263 1.00 0.00 C ATOM 376 C ARG A 88 2.496 7.798 -4.174 1.00 0.00 C ATOM 377 O ARG A 88 3.550 7.450 -4.709 1.00 0.00 O ATOM 378 CB ARG A 88 2.243 9.964 -2.929 1.00 0.00 C ATOM 379 CG ARG A 88 3.628 9.771 -2.333 1.00 0.00 C ATOM 380 CD ARG A 88 3.608 8.760 -1.195 1.00 0.00 C ATOM 381 NE ARG A 88 2.552 9.046 -0.220 1.00 0.00 N ATOM 382 CZ ARG A 88 2.744 9.627 0.969 1.00 0.00 C ATOM 383 NH1 ARG A 88 3.948 10.048 1.345 1.00 0.00 N ATOM 384 NH2 ARG A 88 1.712 9.800 1.785 1.00 0.00 N ATOM 0 H ARG A 88 0.029 9.846 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 88 2.592 9.737 -5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 88 2.070 11.030 -3.075 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.501 9.616 -2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.316 9.434 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.004 10.726 -1.966 1.00 0.00 H new ATOM 0 HD2 ARG A 88 3.463 7.759 -1.602 1.00 0.00 H new ATOM 0 HD3 ARG A 88 4.575 8.762 -0.692 1.00 0.00 H new ATOM 0 HE ARG A 88 1.598 8.782 -0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.747 9.930 0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.073 10.489 2.256 1.00 0.00 H new ATOM 0 HH21 ARG A 88 0.782 9.491 1.503 1.00 0.00 H new ATOM 0 HH22 ARG A 88 1.849 10.242 2.694 1.00 0.00 H new ATOM 398 N ILE A 89 1.719 6.960 -3.499 1.00 0.00 N ATOM 399 CA ILE A 89 2.066 5.555 -3.356 1.00 0.00 C ATOM 400 C ILE A 89 2.106 4.877 -4.722 1.00 0.00 C ATOM 401 O ILE A 89 2.956 4.024 -4.978 1.00 0.00 O ATOM 402 CB ILE A 89 1.074 4.828 -2.429 1.00 0.00 C ATOM 403 CG1 ILE A 89 1.097 5.471 -1.040 1.00 0.00 C ATOM 404 CG2 ILE A 89 1.409 3.346 -2.339 1.00 0.00 C ATOM 405 CD1 ILE A 89 0.150 4.825 -0.054 1.00 0.00 C ATOM 0 H ILE A 89 0.847 7.230 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 89 3.056 5.498 -2.903 1.00 0.00 H new ATOM 0 HB ILE A 89 0.071 4.921 -2.845 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.111 5.420 -0.643 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.844 6.527 -1.134 1.00 0.00 H new ATOM 0 HG21 ILE A 89 0.696 2.851 -1.679 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.355 2.900 -3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.416 3.224 -1.941 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.222 5.334 0.907 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.871 4.899 -0.428 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.415 3.775 0.071 1.00 0.00 H new ATOM 417 N GLN A 90 1.183 5.266 -5.599 1.00 0.00 N ATOM 418 CA GLN A 90 1.135 4.715 -6.949 1.00 0.00 C ATOM 419 C GLN A 90 2.424 5.056 -7.681 1.00 0.00 C ATOM 420 O GLN A 90 3.098 4.185 -8.233 1.00 0.00 O ATOM 421 CB GLN A 90 -0.059 5.294 -7.713 1.00 0.00 C ATOM 422 CG GLN A 90 -0.063 4.959 -9.198 1.00 0.00 C ATOM 423 CD GLN A 90 -0.214 6.190 -10.073 1.00 0.00 C ATOM 424 OE1 GLN A 90 0.770 6.847 -10.415 1.00 0.00 O ATOM 425 NE2 GLN A 90 -1.449 6.504 -10.445 1.00 0.00 N ATOM 0 H GLN A 90 0.461 5.958 -5.399 1.00 0.00 H new ATOM 0 HA GLN A 90 1.024 3.632 -6.888 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -0.980 4.922 -7.264 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -0.062 6.378 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.865 4.447 -9.454 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -0.878 4.266 -9.408 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -2.235 5.931 -10.138 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -1.612 7.318 -11.038 1.00 0.00 H new ATOM 434 N LYS A 91 2.755 6.339 -7.666 1.00 0.00 N ATOM 435 CA LYS A 91 3.959 6.837 -8.299 1.00 0.00 C ATOM 436 C LYS A 91 5.179 6.132 -7.713 1.00 0.00 C ATOM 437 O LYS A 91 6.127 5.801 -8.424 1.00 0.00 O ATOM 438 CB LYS A 91 4.032 8.350 -8.085 1.00 0.00 C ATOM 439 CG LYS A 91 3.865 9.161 -9.361 1.00 0.00 C ATOM 440 CD LYS A 91 5.119 9.129 -10.218 1.00 0.00 C ATOM 441 CE LYS A 91 4.783 9.065 -11.698 1.00 0.00 C ATOM 442 NZ LYS A 91 4.010 7.838 -12.039 1.00 0.00 N ATOM 0 H LYS A 91 2.194 7.061 -7.214 1.00 0.00 H new ATOM 0 HA LYS A 91 3.941 6.633 -9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.259 8.644 -7.375 1.00 0.00 H new ATOM 0 HB3 LYS A 91 4.992 8.597 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.024 8.770 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.625 10.193 -9.107 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.719 10.017 -10.019 1.00 0.00 H new ATOM 0 HD3 LYS A 91 5.726 8.266 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 91 4.207 9.947 -11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.704 9.088 -12.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 4.157 7.602 -13.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 4.334 7.047 -11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 2.998 8.006 -11.868 1.00 0.00 H new ATOM 456 N SER A 92 5.130 5.896 -6.404 1.00 0.00 N ATOM 457 CA SER A 92 6.209 5.213 -5.702 1.00 0.00 C ATOM 458 C SER A 92 6.404 3.811 -6.268 1.00 0.00 C ATOM 459 O SER A 92 7.517 3.420 -6.620 1.00 0.00 O ATOM 460 CB SER A 92 5.897 5.137 -4.207 1.00 0.00 C ATOM 461 OG SER A 92 6.657 4.123 -3.575 1.00 0.00 O ATOM 0 H SER A 92 4.350 6.170 -5.807 1.00 0.00 H new ATOM 0 HA SER A 92 7.130 5.778 -5.843 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.109 6.099 -3.739 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.834 4.941 -4.064 1.00 0.00 H new ATOM 0 HG SER A 92 6.828 4.375 -2.643 1.00 0.00 H new ATOM 467 N ILE A 93 5.311 3.058 -6.349 1.00 0.00 N ATOM 468 CA ILE A 93 5.352 1.705 -6.886 1.00 0.00 C ATOM 469 C ILE A 93 5.933 1.711 -8.297 1.00 0.00 C ATOM 470 O ILE A 93 6.815 0.918 -8.623 1.00 0.00 O ATOM 471 CB ILE A 93 3.941 1.073 -6.920 1.00 0.00 C ATOM 472 CG1 ILE A 93 3.378 0.949 -5.503 1.00 0.00 C ATOM 473 CG2 ILE A 93 3.969 -0.291 -7.600 1.00 0.00 C ATOM 474 CD1 ILE A 93 1.924 0.533 -5.465 1.00 0.00 C ATOM 0 H ILE A 93 4.385 3.364 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 93 5.987 1.110 -6.230 1.00 0.00 H new ATOM 0 HB ILE A 93 3.291 1.728 -7.500 1.00 0.00 H new ATOM 0 HG12 ILE A 93 3.970 0.222 -4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.487 1.906 -4.992 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.964 -0.713 -7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.326 -0.180 -8.624 1.00 0.00 H new ATOM 0 HG23 ILE A 93 4.637 -0.957 -7.053 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.592 0.465 -4.429 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.320 1.272 -5.992 1.00 0.00 H new ATOM 0 HD13 ILE A 93 1.811 -0.438 -5.947 1.00 0.00 H new ATOM 486 N SER A 94 5.428 2.619 -9.125 1.00 0.00 N ATOM 487 CA SER A 94 5.882 2.739 -10.503 1.00 0.00 C ATOM 488 C SER A 94 7.390 2.949 -10.569 1.00 0.00 C ATOM 489 O SER A 94 8.072 2.350 -11.401 1.00 0.00 O ATOM 490 CB SER A 94 5.161 3.894 -11.198 1.00 0.00 C ATOM 491 OG SER A 94 3.759 3.691 -11.199 1.00 0.00 O ATOM 0 H SER A 94 4.701 3.285 -8.863 1.00 0.00 H new ATOM 0 HA SER A 94 5.645 1.808 -11.018 1.00 0.00 H new ATOM 0 HB2 SER A 94 5.396 4.831 -10.692 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.519 3.987 -12.223 1.00 0.00 H new ATOM 0 HG SER A 94 3.409 3.819 -10.292 1.00 0.00 H new ATOM 497 N GLN A 95 7.910 3.803 -9.692 1.00 0.00 N ATOM 498 CA GLN A 95 9.340 4.072 -9.670 1.00 0.00 C ATOM 499 C GLN A 95 10.098 2.850 -9.166 1.00 0.00 C ATOM 500 O GLN A 95 11.235 2.602 -9.567 1.00 0.00 O ATOM 501 CB GLN A 95 9.652 5.295 -8.806 1.00 0.00 C ATOM 502 CG GLN A 95 10.927 6.002 -9.230 1.00 0.00 C ATOM 503 CD GLN A 95 10.927 6.349 -10.707 1.00 0.00 C ATOM 504 OE1 GLN A 95 11.949 6.232 -11.382 1.00 0.00 O ATOM 505 NE2 GLN A 95 9.782 6.790 -11.214 1.00 0.00 N ATOM 0 H GLN A 95 7.368 4.314 -8.996 1.00 0.00 H new ATOM 0 HA GLN A 95 9.665 4.288 -10.688 1.00 0.00 H new ATOM 0 HB2 GLN A 95 8.818 5.995 -8.860 1.00 0.00 H new ATOM 0 HB3 GLN A 95 9.742 4.986 -7.765 1.00 0.00 H new ATOM 0 HG2 GLN A 95 11.047 6.914 -8.645 1.00 0.00 H new ATOM 0 HG3 GLN A 95 11.784 5.366 -9.008 1.00 0.00 H new ATOM 0 HE21 GLN A 95 8.958 6.872 -10.618 1.00 0.00 H new ATOM 0 HE22 GLN A 95 9.726 7.047 -12.199 1.00 0.00 H new ATOM 514 N LYS A 96 9.462 2.089 -8.280 1.00 0.00 N ATOM 515 CA LYS A 96 10.064 0.872 -7.748 1.00 0.00 C ATOM 516 C LYS A 96 10.062 -0.208 -8.819 1.00 0.00 C ATOM 517 O LYS A 96 11.024 -0.964 -8.966 1.00 0.00 O ATOM 518 CB LYS A 96 9.287 0.359 -6.529 1.00 0.00 C ATOM 519 CG LYS A 96 9.419 1.222 -5.286 1.00 0.00 C ATOM 520 CD LYS A 96 8.515 0.720 -4.167 1.00 0.00 C ATOM 521 CE LYS A 96 9.303 0.029 -3.063 1.00 0.00 C ATOM 522 NZ LYS A 96 9.892 -1.263 -3.515 1.00 0.00 N ATOM 0 H LYS A 96 8.531 2.294 -7.916 1.00 0.00 H new ATOM 0 HA LYS A 96 11.085 1.105 -7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 96 8.232 0.283 -6.793 1.00 0.00 H new ATOM 0 HB3 LYS A 96 9.630 -0.649 -6.294 1.00 0.00 H new ATOM 0 HG2 LYS A 96 10.455 1.221 -4.948 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.164 2.254 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 96 7.960 1.558 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 96 7.781 0.026 -4.577 1.00 0.00 H new ATOM 0 HE2 LYS A 96 10.100 0.689 -2.720 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.649 -0.151 -2.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 10.419 -1.697 -2.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 9.131 -1.904 -3.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.537 -1.090 -4.312 1.00 0.00 H new ATOM 536 N LYS A 97 8.967 -0.258 -9.573 1.00 0.00 N ATOM 537 CA LYS A 97 8.799 -1.252 -10.622 1.00 0.00 C ATOM 538 C LYS A 97 8.675 -2.633 -9.996 1.00 0.00 C ATOM 539 O LYS A 97 9.555 -3.482 -10.143 1.00 0.00 O ATOM 540 CB LYS A 97 9.967 -1.206 -11.608 1.00 0.00 C ATOM 541 CG LYS A 97 10.224 0.184 -12.167 1.00 0.00 C ATOM 542 CD LYS A 97 11.104 0.133 -13.405 1.00 0.00 C ATOM 543 CE LYS A 97 12.044 1.324 -13.468 1.00 0.00 C ATOM 544 NZ LYS A 97 13.026 1.314 -12.349 1.00 0.00 N ATOM 0 H LYS A 97 8.180 0.384 -9.474 1.00 0.00 H new ATOM 0 HA LYS A 97 7.889 -1.030 -11.179 1.00 0.00 H new ATOM 0 HB2 LYS A 97 10.869 -1.563 -11.110 1.00 0.00 H new ATOM 0 HB3 LYS A 97 9.766 -1.891 -12.432 1.00 0.00 H new ATOM 0 HG2 LYS A 97 9.275 0.659 -12.414 1.00 0.00 H new ATOM 0 HG3 LYS A 97 10.701 0.801 -11.406 1.00 0.00 H new ATOM 0 HD2 LYS A 97 11.684 -0.790 -13.403 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.478 0.114 -14.297 1.00 0.00 H new ATOM 0 HE2 LYS A 97 12.577 1.317 -14.419 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.464 2.247 -13.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 13.896 1.801 -12.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.619 1.803 -11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 13.250 0.331 -12.092 1.00 0.00 H new ATOM 558 N VAL A 98 7.574 -2.836 -9.281 1.00 0.00 N ATOM 559 CA VAL A 98 7.313 -4.096 -8.600 1.00 0.00 C ATOM 560 C VAL A 98 5.952 -4.667 -8.989 1.00 0.00 C ATOM 561 O VAL A 98 5.257 -4.112 -9.839 1.00 0.00 O ATOM 562 CB VAL A 98 7.366 -3.908 -7.073 1.00 0.00 C ATOM 563 CG1 VAL A 98 8.778 -3.567 -6.625 1.00 0.00 C ATOM 564 CG2 VAL A 98 6.389 -2.825 -6.637 1.00 0.00 C ATOM 0 H VAL A 98 6.842 -2.136 -9.158 1.00 0.00 H new ATOM 0 HA VAL A 98 8.088 -4.798 -8.908 1.00 0.00 H new ATOM 0 HB VAL A 98 7.075 -4.846 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 98 8.795 -3.438 -5.543 1.00 0.00 H new ATOM 0 HG12 VAL A 98 9.454 -4.375 -6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 98 9.099 -2.643 -7.106 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.439 -2.704 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.651 -1.883 -7.119 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.377 -3.111 -6.924 1.00 0.00 H new ATOM 574 N LYS A 99 5.578 -5.778 -8.358 1.00 0.00 N ATOM 575 CA LYS A 99 4.302 -6.426 -8.641 1.00 0.00 C ATOM 576 C LYS A 99 3.259 -6.080 -7.582 1.00 0.00 C ATOM 577 O LYS A 99 2.852 -6.938 -6.798 1.00 0.00 O ATOM 578 CB LYS A 99 4.476 -7.945 -8.699 1.00 0.00 C ATOM 579 CG LYS A 99 5.674 -8.400 -9.516 1.00 0.00 C ATOM 580 CD LYS A 99 5.254 -8.985 -10.853 1.00 0.00 C ATOM 581 CE LYS A 99 6.371 -9.810 -11.470 1.00 0.00 C ATOM 582 NZ LYS A 99 7.705 -9.185 -11.255 1.00 0.00 N ATOM 0 H LYS A 99 6.141 -6.247 -7.648 1.00 0.00 H new ATOM 0 HA LYS A 99 3.955 -6.060 -9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.576 -8.328 -7.683 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.573 -8.388 -9.120 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.343 -7.555 -9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.236 -9.145 -8.953 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.370 -9.609 -10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.975 -8.180 -11.533 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.365 -10.811 -11.038 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.191 -9.923 -12.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.389 -9.588 -11.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.636 -8.158 -11.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.023 -9.371 -10.283 1.00 0.00 H new ATOM 596 N ILE A 100 2.832 -4.824 -7.556 1.00 0.00 N ATOM 597 CA ILE A 100 1.830 -4.382 -6.595 1.00 0.00 C ATOM 598 C ILE A 100 0.869 -3.387 -7.234 1.00 0.00 C ATOM 599 O ILE A 100 1.189 -2.209 -7.385 1.00 0.00 O ATOM 600 CB ILE A 100 2.474 -3.734 -5.351 1.00 0.00 C ATOM 601 CG1 ILE A 100 3.435 -4.713 -4.676 1.00 0.00 C ATOM 602 CG2 ILE A 100 1.399 -3.282 -4.370 1.00 0.00 C ATOM 603 CD1 ILE A 100 4.121 -4.140 -3.454 1.00 0.00 C ATOM 0 H ILE A 100 3.163 -4.095 -8.188 1.00 0.00 H new ATOM 0 HA ILE A 100 1.282 -5.270 -6.280 1.00 0.00 H new ATOM 0 HB ILE A 100 3.040 -2.859 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.885 -5.609 -4.388 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.192 -5.022 -5.397 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.870 -2.827 -3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 100 0.749 -2.553 -4.853 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.808 -4.142 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.788 -4.889 -3.026 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.699 -3.261 -3.740 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.371 -3.857 -2.715 1.00 0.00 H new ATOM 615 N GLU A 101 -0.305 -3.872 -7.621 1.00 0.00 N ATOM 616 CA GLU A 101 -1.313 -3.019 -8.235 1.00 0.00 C ATOM 617 C GLU A 101 -2.636 -3.153 -7.498 1.00 0.00 C ATOM 618 O GLU A 101 -2.926 -4.194 -6.906 1.00 0.00 O ATOM 619 CB GLU A 101 -1.497 -3.365 -9.716 1.00 0.00 C ATOM 620 CG GLU A 101 -2.272 -4.650 -9.965 1.00 0.00 C ATOM 621 CD GLU A 101 -2.707 -4.789 -11.410 1.00 0.00 C ATOM 622 OE1 GLU A 101 -2.209 -4.017 -12.256 1.00 0.00 O ATOM 623 OE2 GLU A 101 -3.549 -5.667 -11.696 1.00 0.00 O ATOM 0 H GLU A 101 -0.581 -4.849 -7.521 1.00 0.00 H new ATOM 0 HA GLU A 101 -0.971 -1.986 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -2.014 -2.541 -10.208 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -0.515 -3.450 -10.182 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -1.653 -5.504 -9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -3.150 -4.673 -9.320 1.00 0.00 H new ATOM 630 N LEU A 102 -3.441 -2.103 -7.540 1.00 0.00 N ATOM 631 CA LEU A 102 -4.722 -2.122 -6.861 1.00 0.00 C ATOM 632 C LEU A 102 -5.719 -3.036 -7.560 1.00 0.00 C ATOM 633 O LEU A 102 -5.818 -3.056 -8.786 1.00 0.00 O ATOM 634 CB LEU A 102 -5.322 -0.725 -6.762 1.00 0.00 C ATOM 635 CG LEU A 102 -6.687 -0.706 -6.084 1.00 0.00 C ATOM 636 CD1 LEU A 102 -6.547 -0.706 -4.574 1.00 0.00 C ATOM 637 CD2 LEU A 102 -7.518 0.466 -6.543 1.00 0.00 C ATOM 0 H LEU A 102 -3.231 -1.235 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 102 -4.530 -2.505 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -4.639 -0.081 -6.208 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -5.415 -0.304 -7.763 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.208 -1.617 -6.378 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.536 -0.692 -4.117 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.014 -1.603 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.990 0.177 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.484 0.447 -6.039 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -7.001 1.395 -6.302 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.670 0.404 -7.621 1.00 0.00 H new ATOM 649 N ASP A 103 -6.461 -3.782 -6.755 1.00 0.00 N ATOM 650 CA ASP A 103 -7.488 -4.674 -7.261 1.00 0.00 C ATOM 651 C ASP A 103 -8.655 -3.851 -7.782 1.00 0.00 C ATOM 652 O ASP A 103 -9.400 -3.264 -7.000 1.00 0.00 O ATOM 653 CB ASP A 103 -7.980 -5.579 -6.142 1.00 0.00 C ATOM 654 CG ASP A 103 -9.090 -6.512 -6.591 1.00 0.00 C ATOM 655 OD1 ASP A 103 -8.837 -7.361 -7.474 1.00 0.00 O ATOM 656 OD2 ASP A 103 -10.214 -6.394 -6.060 1.00 0.00 O ATOM 0 H ASP A 103 -6.368 -3.785 -5.739 1.00 0.00 H new ATOM 0 HA ASP A 103 -7.072 -5.282 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.145 -6.169 -5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.338 -4.966 -5.315 1.00 0.00 H new ATOM 661 N LYS A 104 -8.811 -3.798 -9.095 1.00 0.00 N ATOM 662 CA LYS A 104 -9.891 -3.026 -9.695 1.00 0.00 C ATOM 663 C LYS A 104 -11.262 -3.587 -9.319 1.00 0.00 C ATOM 664 O LYS A 104 -12.278 -2.912 -9.483 1.00 0.00 O ATOM 665 CB LYS A 104 -9.729 -2.985 -11.214 1.00 0.00 C ATOM 666 CG LYS A 104 -8.604 -2.071 -11.676 1.00 0.00 C ATOM 667 CD LYS A 104 -9.132 -0.715 -12.116 1.00 0.00 C ATOM 668 CE LYS A 104 -8.006 0.291 -12.292 1.00 0.00 C ATOM 669 NZ LYS A 104 -6.874 -0.269 -13.080 1.00 0.00 N ATOM 0 H LYS A 104 -8.208 -4.277 -9.764 1.00 0.00 H new ATOM 0 HA LYS A 104 -9.833 -2.011 -9.303 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -9.541 -3.994 -11.579 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -10.665 -2.653 -11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -7.886 -1.938 -10.866 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -8.069 -2.540 -12.502 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -9.676 -0.822 -13.055 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -9.842 -0.343 -11.377 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -8.390 1.181 -12.791 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -7.645 0.606 -11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.235 0.500 -13.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -6.352 -0.956 -12.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -7.243 -0.744 -13.929 1.00 0.00 H new ATOM 683 N SER A 105 -11.293 -4.817 -8.810 1.00 0.00 N ATOM 684 CA SER A 105 -12.552 -5.443 -8.421 1.00 0.00 C ATOM 685 C SER A 105 -12.766 -5.356 -6.912 1.00 0.00 C ATOM 686 O SER A 105 -13.524 -6.140 -6.340 1.00 0.00 O ATOM 687 CB SER A 105 -12.582 -6.909 -8.863 1.00 0.00 C ATOM 688 OG SER A 105 -11.922 -7.742 -7.924 1.00 0.00 O ATOM 0 H SER A 105 -10.467 -5.395 -8.659 1.00 0.00 H new ATOM 0 HA SER A 105 -13.358 -4.903 -8.918 1.00 0.00 H new ATOM 0 HB2 SER A 105 -13.615 -7.235 -8.979 1.00 0.00 H new ATOM 0 HB3 SER A 105 -12.105 -7.007 -9.838 1.00 0.00 H new ATOM 0 HG SER A 105 -11.352 -7.194 -7.345 1.00 0.00 H new ATOM 694 N ALA A 106 -12.104 -4.395 -6.268 1.00 0.00 N ATOM 695 CA ALA A 106 -12.231 -4.224 -4.823 1.00 0.00 C ATOM 696 C ALA A 106 -13.524 -3.516 -4.453 1.00 0.00 C ATOM 697 O ALA A 106 -14.334 -3.173 -5.315 1.00 0.00 O ATOM 698 CB ALA A 106 -11.049 -3.454 -4.252 1.00 0.00 C ATOM 0 H ALA A 106 -11.479 -3.728 -6.721 1.00 0.00 H new ATOM 0 HA ALA A 106 -12.246 -5.224 -4.389 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.173 -3.343 -3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -10.127 -3.998 -4.457 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.999 -2.468 -4.715 1.00 0.00 H new ATOM 704 N ARG A 107 -13.699 -3.295 -3.157 1.00 0.00 N ATOM 705 CA ARG A 107 -14.885 -2.632 -2.638 1.00 0.00 C ATOM 706 C ARG A 107 -14.533 -1.285 -2.015 1.00 0.00 C ATOM 707 O ARG A 107 -15.300 -0.326 -2.110 1.00 0.00 O ATOM 708 CB ARG A 107 -15.571 -3.520 -1.594 1.00 0.00 C ATOM 709 CG ARG A 107 -14.605 -4.369 -0.773 1.00 0.00 C ATOM 710 CD ARG A 107 -14.316 -5.699 -1.455 1.00 0.00 C ATOM 711 NE ARG A 107 -13.380 -6.523 -0.691 1.00 0.00 N ATOM 712 CZ ARG A 107 -13.270 -7.842 -0.835 1.00 0.00 C ATOM 713 NH1 ARG A 107 -14.047 -8.487 -1.695 1.00 0.00 N ATOM 714 NH2 ARG A 107 -12.383 -8.518 -0.116 1.00 0.00 N ATOM 0 H ARG A 107 -13.027 -3.569 -2.441 1.00 0.00 H new ATOM 0 HA ARG A 107 -15.566 -2.459 -3.471 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -16.149 -2.889 -0.919 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -16.278 -4.178 -2.099 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -13.673 -3.823 -0.627 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -15.027 -4.550 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.249 -6.245 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -13.907 -5.514 -2.448 1.00 0.00 H new ATOM 0 HE ARG A 107 -12.778 -6.061 -0.010 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -14.732 -7.972 -2.249 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -13.960 -9.498 -1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -11.784 -8.027 0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -12.300 -9.528 -0.227 1.00 0.00 H new ATOM 728 N HIS A 108 -13.364 -1.217 -1.391 1.00 0.00 N ATOM 729 CA HIS A 108 -12.915 0.002 -0.727 1.00 0.00 C ATOM 730 C HIS A 108 -11.400 0.169 -0.851 1.00 0.00 C ATOM 731 O HIS A 108 -10.768 -0.449 -1.707 1.00 0.00 O ATOM 732 CB HIS A 108 -13.312 -0.067 0.747 1.00 0.00 C ATOM 733 CG HIS A 108 -12.679 -1.218 1.466 1.00 0.00 C ATOM 734 ND1 HIS A 108 -11.350 -1.249 1.821 1.00 0.00 N ATOM 735 CD2 HIS A 108 -13.202 -2.389 1.893 1.00 0.00 C ATOM 736 CE1 HIS A 108 -11.083 -2.384 2.438 1.00 0.00 C ATOM 737 NE2 HIS A 108 -12.190 -3.092 2.499 1.00 0.00 N ATOM 0 H HIS A 108 -12.707 -1.995 -1.330 1.00 0.00 H new ATOM 0 HA HIS A 108 -13.386 0.861 -1.204 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -13.028 0.863 1.239 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -14.396 -0.149 0.823 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -10.674 -0.508 1.635 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -14.226 -2.712 1.779 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -10.120 -2.681 2.827 1.00 0.00 H new ATOM 746 N LEU A 109 -10.828 1.023 -0.004 1.00 0.00 N ATOM 747 CA LEU A 109 -9.388 1.255 0.006 1.00 0.00 C ATOM 748 C LEU A 109 -8.815 0.894 1.389 1.00 0.00 C ATOM 749 O LEU A 109 -9.045 -0.213 1.875 1.00 0.00 O ATOM 750 CB LEU A 109 -9.085 2.709 -0.372 1.00 0.00 C ATOM 751 CG LEU A 109 -9.507 3.119 -1.778 1.00 0.00 C ATOM 752 CD1 LEU A 109 -9.025 4.529 -2.083 1.00 0.00 C ATOM 753 CD2 LEU A 109 -8.964 2.134 -2.802 1.00 0.00 C ATOM 0 H LEU A 109 -11.344 1.567 0.687 1.00 0.00 H new ATOM 0 HA LEU A 109 -8.908 0.616 -0.735 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -9.582 3.364 0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.013 2.878 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.596 3.107 -1.834 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -9.333 4.809 -3.090 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -9.458 5.225 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -7.938 4.565 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -9.274 2.440 -3.801 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -7.875 2.117 -2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -9.353 1.138 -2.591 1.00 0.00 H new ATOM 765 N TYR A 110 -8.083 1.808 2.030 1.00 0.00 N ATOM 766 CA TYR A 110 -7.524 1.538 3.344 1.00 0.00 C ATOM 767 C TYR A 110 -6.640 0.299 3.331 1.00 0.00 C ATOM 768 O TYR A 110 -7.088 -0.802 3.650 1.00 0.00 O ATOM 769 CB TYR A 110 -8.643 1.374 4.373 1.00 0.00 C ATOM 770 CG TYR A 110 -9.415 2.649 4.627 1.00 0.00 C ATOM 771 CD1 TYR A 110 -10.481 3.012 3.815 1.00 0.00 C ATOM 772 CD2 TYR A 110 -9.075 3.490 5.678 1.00 0.00 C ATOM 773 CE1 TYR A 110 -11.187 4.178 4.043 1.00 0.00 C ATOM 774 CE2 TYR A 110 -9.775 4.657 5.914 1.00 0.00 C ATOM 775 CZ TYR A 110 -10.829 4.997 5.093 1.00 0.00 C ATOM 776 OH TYR A 110 -11.529 6.159 5.324 1.00 0.00 O ATOM 0 H TYR A 110 -7.868 2.733 1.659 1.00 0.00 H new ATOM 0 HA TYR A 110 -6.903 2.390 3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -9.332 0.603 4.030 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -8.215 1.024 5.312 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -10.763 2.373 2.992 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -8.249 3.227 6.322 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -12.014 4.446 3.403 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -9.498 5.299 6.737 1.00 0.00 H new ATOM 0 HH TYR A 110 -11.150 6.620 6.102 1.00 0.00 H new ATOM 786 N ILE A 111 -5.382 0.488 2.955 1.00 0.00 N ATOM 787 CA ILE A 111 -4.428 -0.608 2.910 1.00 0.00 C ATOM 788 C ILE A 111 -3.925 -0.931 4.309 1.00 0.00 C ATOM 789 O ILE A 111 -4.236 -0.225 5.269 1.00 0.00 O ATOM 790 CB ILE A 111 -3.223 -0.274 2.009 1.00 0.00 C ATOM 791 CG1 ILE A 111 -2.471 0.941 2.555 1.00 0.00 C ATOM 792 CG2 ILE A 111 -3.684 -0.021 0.581 1.00 0.00 C ATOM 793 CD1 ILE A 111 -1.260 1.322 1.732 1.00 0.00 C ATOM 0 H ILE A 111 -5.000 1.392 2.677 1.00 0.00 H new ATOM 0 HA ILE A 111 -4.947 -1.471 2.494 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.543 -1.126 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -3.153 1.791 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -2.155 0.733 3.577 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -2.822 0.214 -0.043 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.180 -0.912 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.381 0.817 0.567 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.776 2.191 2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.559 0.488 1.709 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -1.572 1.562 0.715 1.00 0.00 H new ATOM 805 N CYS A 112 -3.152 -2.001 4.424 1.00 0.00 N ATOM 806 CA CYS A 112 -2.607 -2.409 5.711 1.00 0.00 C ATOM 807 C CYS A 112 -1.325 -1.642 6.019 1.00 0.00 C ATOM 808 O CYS A 112 -0.664 -1.134 5.114 1.00 0.00 O ATOM 809 CB CYS A 112 -2.330 -3.912 5.715 1.00 0.00 C ATOM 810 SG CYS A 112 -1.244 -4.462 4.379 1.00 0.00 S ATOM 0 H CYS A 112 -2.888 -2.602 3.643 1.00 0.00 H new ATOM 0 HA CYS A 112 -3.342 -2.181 6.483 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -1.882 -4.186 6.670 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -3.277 -4.446 5.643 1.00 0.00 H new ATOM 815 N ASP A 113 -0.986 -1.555 7.300 1.00 0.00 N ATOM 816 CA ASP A 113 0.221 -0.856 7.721 1.00 0.00 C ATOM 817 C ASP A 113 1.447 -1.484 7.067 1.00 0.00 C ATOM 818 O ASP A 113 2.428 -0.802 6.766 1.00 0.00 O ATOM 819 CB ASP A 113 0.356 -0.907 9.245 1.00 0.00 C ATOM 820 CG ASP A 113 0.571 0.464 9.855 1.00 0.00 C ATOM 821 OD1 ASP A 113 -0.429 1.168 10.101 1.00 0.00 O ATOM 822 OD2 ASP A 113 1.742 0.832 10.089 1.00 0.00 O ATOM 0 H ASP A 113 -1.529 -1.959 8.063 1.00 0.00 H new ATOM 0 HA ASP A 113 0.149 0.186 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.542 -1.354 9.671 1.00 0.00 H new ATOM 0 HB3 ASP A 113 1.191 -1.555 9.511 1.00 0.00 H new ATOM 827 N TYR A 114 1.370 -2.791 6.845 1.00 0.00 N ATOM 828 CA TYR A 114 2.457 -3.542 6.227 1.00 0.00 C ATOM 829 C TYR A 114 2.894 -2.905 4.910 1.00 0.00 C ATOM 830 O TYR A 114 4.056 -2.536 4.745 1.00 0.00 O ATOM 831 CB TYR A 114 2.008 -4.985 5.990 1.00 0.00 C ATOM 832 CG TYR A 114 2.997 -5.828 5.217 1.00 0.00 C ATOM 833 CD1 TYR A 114 4.058 -6.455 5.860 1.00 0.00 C ATOM 834 CD2 TYR A 114 2.863 -6.008 3.846 1.00 0.00 C ATOM 835 CE1 TYR A 114 4.957 -7.236 5.157 1.00 0.00 C ATOM 836 CE2 TYR A 114 3.758 -6.786 3.137 1.00 0.00 C ATOM 837 CZ TYR A 114 4.802 -7.398 3.797 1.00 0.00 C ATOM 838 OH TYR A 114 5.694 -8.176 3.094 1.00 0.00 O ATOM 0 H TYR A 114 0.557 -3.358 7.087 1.00 0.00 H new ATOM 0 HA TYR A 114 3.313 -3.529 6.902 1.00 0.00 H new ATOM 0 HB2 TYR A 114 1.822 -5.458 6.954 1.00 0.00 H new ATOM 0 HB3 TYR A 114 1.060 -4.974 5.452 1.00 0.00 H new ATOM 0 HD1 TYR A 114 4.182 -6.330 6.926 1.00 0.00 H new ATOM 0 HD2 TYR A 114 2.045 -5.532 3.326 1.00 0.00 H new ATOM 0 HE1 TYR A 114 5.776 -7.717 5.671 1.00 0.00 H new ATOM 0 HE2 TYR A 114 3.640 -6.914 2.071 1.00 0.00 H new ATOM 0 HH TYR A 114 5.442 -8.188 2.147 1.00 0.00 H new ATOM 848 N HIS A 115 1.956 -2.776 3.977 1.00 0.00 N ATOM 849 CA HIS A 115 2.252 -2.191 2.673 1.00 0.00 C ATOM 850 C HIS A 115 2.561 -0.699 2.783 1.00 0.00 C ATOM 851 O HIS A 115 3.388 -0.175 2.038 1.00 0.00 O ATOM 852 CB HIS A 115 1.089 -2.424 1.706 1.00 0.00 C ATOM 853 CG HIS A 115 1.128 -3.768 1.042 1.00 0.00 C ATOM 854 ND1 HIS A 115 0.076 -4.649 1.135 1.00 0.00 N ATOM 855 CD2 HIS A 115 2.107 -4.326 0.288 1.00 0.00 C ATOM 856 CE1 HIS A 115 0.435 -5.713 0.438 1.00 0.00 C ATOM 857 NE2 HIS A 115 1.658 -5.564 -0.093 1.00 0.00 N ATOM 0 H HIS A 115 0.986 -3.068 4.099 1.00 0.00 H new ATOM 0 HA HIS A 115 3.141 -2.686 2.283 1.00 0.00 H new ATOM 0 HB2 HIS A 115 0.149 -2.322 2.248 1.00 0.00 H new ATOM 0 HB3 HIS A 115 1.101 -1.648 0.941 1.00 0.00 H new ATOM 0 HD2 HIS A 115 3.058 -3.881 0.036 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -0.179 -6.592 0.312 1.00 0.00 H new ATOM 0 HE2 HIS A 115 2.158 -6.241 -0.669 1.00 0.00 H new ATOM 865 N LYS A 116 1.900 -0.017 3.711 1.00 0.00 N ATOM 866 CA LYS A 116 2.123 1.413 3.902 1.00 0.00 C ATOM 867 C LYS A 116 3.588 1.689 4.229 1.00 0.00 C ATOM 868 O LYS A 116 4.219 2.563 3.634 1.00 0.00 O ATOM 869 CB LYS A 116 1.238 1.944 5.031 1.00 0.00 C ATOM 870 CG LYS A 116 1.175 3.462 5.099 1.00 0.00 C ATOM 871 CD LYS A 116 0.727 3.936 6.473 1.00 0.00 C ATOM 872 CE LYS A 116 1.901 4.361 7.345 1.00 0.00 C ATOM 873 NZ LYS A 116 3.055 3.425 7.244 1.00 0.00 N ATOM 0 H LYS A 116 1.209 -0.427 4.340 1.00 0.00 H new ATOM 0 HA LYS A 116 1.865 1.923 2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.229 1.553 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.610 1.562 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.156 3.879 4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 116 0.485 3.834 4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.038 4.773 6.360 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.178 3.136 6.970 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.222 5.361 7.054 1.00 0.00 H new ATOM 0 HE3 LYS A 116 1.575 4.420 8.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 3.839 3.777 7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 2.768 2.483 7.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 3.364 3.361 6.253 1.00 0.00 H new ATOM 887 N ASN A 117 4.118 0.930 5.182 1.00 0.00 N ATOM 888 CA ASN A 117 5.504 1.080 5.611 1.00 0.00 C ATOM 889 C ASN A 117 6.469 0.568 4.544 1.00 0.00 C ATOM 890 O ASN A 117 7.504 1.180 4.279 1.00 0.00 O ATOM 891 CB ASN A 117 5.726 0.310 6.916 1.00 0.00 C ATOM 892 CG ASN A 117 7.014 0.698 7.613 1.00 0.00 C ATOM 893 OD1 ASN A 117 8.102 0.304 7.195 1.00 0.00 O ATOM 894 ND2 ASN A 117 6.893 1.463 8.692 1.00 0.00 N ATOM 0 H ASN A 117 3.604 0.200 5.675 1.00 0.00 H new ATOM 0 HA ASN A 117 5.699 2.141 5.770 1.00 0.00 H new ATOM 0 HB2 ASN A 117 4.886 0.491 7.587 1.00 0.00 H new ATOM 0 HB3 ASN A 117 5.740 -0.759 6.704 1.00 0.00 H new ATOM 0 HD21 ASN A 117 7.724 1.748 9.211 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.969 1.766 9.002 1.00 0.00 H new ATOM 901 N LEU A 118 6.115 -0.556 3.936 1.00 0.00 N ATOM 902 CA LEU A 118 6.943 -1.180 2.909 1.00 0.00 C ATOM 903 C LEU A 118 7.108 -0.277 1.685 1.00 0.00 C ATOM 904 O LEU A 118 8.160 -0.270 1.047 1.00 0.00 O ATOM 905 CB LEU A 118 6.311 -2.513 2.491 1.00 0.00 C ATOM 906 CG LEU A 118 7.275 -3.559 1.923 1.00 0.00 C ATOM 907 CD1 LEU A 118 6.566 -4.895 1.754 1.00 0.00 C ATOM 908 CD2 LEU A 118 7.854 -3.095 0.595 1.00 0.00 C ATOM 0 H LEU A 118 5.251 -1.060 4.138 1.00 0.00 H new ATOM 0 HA LEU A 118 7.935 -1.349 3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 118 5.808 -2.943 3.357 1.00 0.00 H new ATOM 0 HB3 LEU A 118 5.543 -2.311 1.744 1.00 0.00 H new ATOM 0 HG LEU A 118 8.097 -3.686 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 118 7.264 -5.628 1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 118 6.200 -5.238 2.722 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.726 -4.777 1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 118 8.536 -3.854 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 118 7.046 -2.938 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 118 8.396 -2.161 0.741 1.00 0.00 H new ATOM 920 N ILE A 119 6.076 0.498 1.372 1.00 0.00 N ATOM 921 CA ILE A 119 6.098 1.367 0.196 1.00 0.00 C ATOM 922 C ILE A 119 6.543 2.793 0.507 1.00 0.00 C ATOM 923 O ILE A 119 7.220 3.424 -0.303 1.00 0.00 O ATOM 924 CB ILE A 119 4.707 1.414 -0.456 1.00 0.00 C ATOM 925 CG1 ILE A 119 4.246 -0.006 -0.761 1.00 0.00 C ATOM 926 CG2 ILE A 119 4.728 2.261 -1.718 1.00 0.00 C ATOM 927 CD1 ILE A 119 2.808 -0.098 -1.225 1.00 0.00 C ATOM 0 H ILE A 119 5.213 0.544 1.914 1.00 0.00 H new ATOM 0 HA ILE A 119 6.831 0.934 -0.485 1.00 0.00 H new ATOM 0 HB ILE A 119 4.003 1.877 0.236 1.00 0.00 H new ATOM 0 HG12 ILE A 119 4.893 -0.430 -1.529 1.00 0.00 H new ATOM 0 HG13 ILE A 119 4.369 -0.617 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 119 3.732 2.279 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 119 5.033 3.278 -1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 119 5.434 1.835 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 119 2.555 -1.140 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 119 2.150 0.295 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 119 2.682 0.485 -2.138 1.00 0.00 H new ATOM 939 N GLN A 120 6.166 3.295 1.672 1.00 0.00 N ATOM 940 CA GLN A 120 6.504 4.663 2.057 1.00 0.00 C ATOM 941 C GLN A 120 7.992 4.869 2.316 1.00 0.00 C ATOM 942 O GLN A 120 8.588 5.822 1.815 1.00 0.00 O ATOM 943 CB GLN A 120 5.750 5.063 3.324 1.00 0.00 C ATOM 944 CG GLN A 120 4.329 5.514 3.092 1.00 0.00 C ATOM 945 CD GLN A 120 3.884 6.540 4.116 1.00 0.00 C ATOM 946 OE1 GLN A 120 3.918 7.743 3.861 1.00 0.00 O ATOM 947 NE2 GLN A 120 3.495 6.071 5.294 1.00 0.00 N ATOM 0 H GLN A 120 5.627 2.780 2.368 1.00 0.00 H new ATOM 0 HA GLN A 120 6.215 5.284 1.210 1.00 0.00 H new ATOM 0 HB2 GLN A 120 5.741 4.215 4.009 1.00 0.00 H new ATOM 0 HB3 GLN A 120 6.296 5.866 3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 120 4.242 5.939 2.092 1.00 0.00 H new ATOM 0 HG3 GLN A 120 3.664 4.651 3.131 1.00 0.00 H new ATOM 0 HE21 GLN A 120 3.482 5.065 5.463 1.00 0.00 H new ATOM 0 HE22 GLN A 120 3.209 6.716 6.031 1.00 0.00 H new ATOM 956 N SER A 121 8.596 3.960 3.071 1.00 0.00 N ATOM 957 CA SER A 121 9.991 4.111 3.472 1.00 0.00 C ATOM 958 C SER A 121 11.015 3.709 2.407 1.00 0.00 C ATOM 959 O SER A 121 12.138 3.334 2.744 1.00 0.00 O ATOM 960 CB SER A 121 10.228 3.323 4.753 1.00 0.00 C ATOM 961 OG SER A 121 9.958 4.122 5.895 1.00 0.00 O ATOM 0 H SER A 121 8.145 3.113 3.417 1.00 0.00 H new ATOM 0 HA SER A 121 10.150 5.178 3.628 1.00 0.00 H new ATOM 0 HB2 SER A 121 9.591 2.438 4.764 1.00 0.00 H new ATOM 0 HB3 SER A 121 11.260 2.973 4.784 1.00 0.00 H new ATOM 0 HG SER A 121 10.115 3.596 6.707 1.00 0.00 H new ATOM 967 N VAL A 122 10.652 3.798 1.135 1.00 0.00 N ATOM 968 CA VAL A 122 11.588 3.475 0.068 1.00 0.00 C ATOM 969 C VAL A 122 11.786 4.687 -0.835 1.00 0.00 C ATOM 970 O VAL A 122 11.006 4.925 -1.757 1.00 0.00 O ATOM 971 CB VAL A 122 11.124 2.270 -0.773 1.00 0.00 C ATOM 972 CG1 VAL A 122 12.133 1.973 -1.873 1.00 0.00 C ATOM 973 CG2 VAL A 122 10.918 1.051 0.113 1.00 0.00 C ATOM 0 H VAL A 122 9.726 4.088 0.819 1.00 0.00 H new ATOM 0 HA VAL A 122 12.533 3.202 0.538 1.00 0.00 H new ATOM 0 HB VAL A 122 10.170 2.517 -1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 122 11.792 1.119 -2.459 1.00 0.00 H new ATOM 0 HG12 VAL A 122 12.230 2.843 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 122 13.101 1.743 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.590 0.209 -0.497 1.00 0.00 H new ATOM 0 HG22 VAL A 122 11.856 0.798 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 122 10.160 1.271 0.864 1.00 0.00 H new ATOM 983 N ARG A 123 12.843 5.448 -0.562 1.00 0.00 N ATOM 984 CA ARG A 123 13.144 6.647 -1.320 1.00 0.00 C ATOM 985 C ARG A 123 11.930 7.564 -1.412 1.00 0.00 C ATOM 986 O ARG A 123 11.541 8.001 -2.494 1.00 0.00 O ATOM 987 CB ARG A 123 13.641 6.242 -2.694 1.00 0.00 C ATOM 988 CG ARG A 123 15.072 5.744 -2.662 1.00 0.00 C ATOM 989 CD ARG A 123 15.622 5.481 -4.051 1.00 0.00 C ATOM 990 NE ARG A 123 16.960 4.900 -3.988 1.00 0.00 N ATOM 991 CZ ARG A 123 17.884 5.050 -4.930 1.00 0.00 C ATOM 992 NH1 ARG A 123 17.611 5.727 -6.038 1.00 0.00 N ATOM 993 NH2 ARG A 123 19.085 4.514 -4.769 1.00 0.00 N ATOM 0 H ARG A 123 13.507 5.248 0.186 1.00 0.00 H new ATOM 0 HA ARG A 123 13.922 7.214 -0.809 1.00 0.00 H new ATOM 0 HB2 ARG A 123 12.995 5.461 -3.096 1.00 0.00 H new ATOM 0 HB3 ARG A 123 13.570 7.094 -3.370 1.00 0.00 H new ATOM 0 HG2 ARG A 123 15.699 6.480 -2.159 1.00 0.00 H new ATOM 0 HG3 ARG A 123 15.122 4.827 -2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 123 14.955 4.806 -4.587 1.00 0.00 H new ATOM 0 HD3 ARG A 123 15.654 6.413 -4.615 1.00 0.00 H new ATOM 0 HE ARG A 123 17.200 4.343 -3.168 1.00 0.00 H new ATOM 0 HH11 ARG A 123 16.686 6.136 -6.171 1.00 0.00 H new ATOM 0 HH12 ARG A 123 18.326 5.838 -6.757 1.00 0.00 H new ATOM 0 HH21 ARG A 123 19.299 3.987 -3.922 1.00 0.00 H new ATOM 0 HH22 ARG A 123 19.796 4.628 -5.492 1.00 0.00 H new ATOM 1007 N ASN A 124 11.344 7.852 -0.252 1.00 0.00 N ATOM 1008 CA ASN A 124 10.175 8.718 -0.168 1.00 0.00 C ATOM 1009 C ASN A 124 10.065 9.343 1.222 1.00 0.00 C ATOM 1010 O ASN A 124 8.981 9.735 1.651 1.00 0.00 O ATOM 1011 CB ASN A 124 8.904 7.923 -0.474 1.00 0.00 C ATOM 1012 CG ASN A 124 8.187 8.426 -1.710 1.00 0.00 C ATOM 1013 OD1 ASN A 124 8.798 8.635 -2.758 1.00 0.00 O ATOM 1014 ND2 ASN A 124 6.881 8.632 -1.589 1.00 0.00 N ATOM 0 H ASN A 124 11.664 7.494 0.648 1.00 0.00 H new ATOM 0 HA ASN A 124 10.288 9.514 -0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.161 6.872 -0.609 1.00 0.00 H new ATOM 0 HB3 ASN A 124 8.230 7.979 0.381 1.00 0.00 H new ATOM 0 HD21 ASN A 124 6.343 8.977 -2.384 1.00 0.00 H new ATOM 0 HD22 ASN A 124 6.415 8.445 -0.701 1.00 0.00 H new ATOM 1021 N ARG A 125 11.195 9.440 1.918 1.00 0.00 N ATOM 1022 CA ARG A 125 11.218 10.006 3.264 1.00 0.00 C ATOM 1023 C ARG A 125 11.974 11.333 3.294 1.00 0.00 C ATOM 1024 O ARG A 125 11.371 12.397 3.434 1.00 0.00 O ATOM 1025 CB ARG A 125 11.855 9.012 4.238 1.00 0.00 C ATOM 1026 CG ARG A 125 12.115 9.586 5.622 1.00 0.00 C ATOM 1027 CD ARG A 125 12.108 8.499 6.683 1.00 0.00 C ATOM 1028 NE ARG A 125 10.771 7.942 6.881 1.00 0.00 N ATOM 1029 CZ ARG A 125 9.885 8.414 7.758 1.00 0.00 C ATOM 1030 NH1 ARG A 125 10.178 9.463 8.517 1.00 0.00 N ATOM 1031 NH2 ARG A 125 8.696 7.838 7.871 1.00 0.00 N ATOM 0 H ARG A 125 12.105 9.135 1.573 1.00 0.00 H new ATOM 0 HA ARG A 125 10.190 10.199 3.569 1.00 0.00 H new ATOM 0 HB2 ARG A 125 11.204 8.143 4.332 1.00 0.00 H new ATOM 0 HB3 ARG A 125 12.797 8.660 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 125 13.077 10.098 5.630 1.00 0.00 H new ATOM 0 HG3 ARG A 125 11.355 10.331 5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 125 12.794 7.703 6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 125 12.475 8.908 7.625 1.00 0.00 H new ATOM 0 HE ARG A 125 10.499 7.141 6.312 1.00 0.00 H new ATOM 0 HH11 ARG A 125 11.088 9.916 8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 125 9.493 9.816 9.185 1.00 0.00 H new ATOM 0 HH21 ARG A 125 8.461 7.035 7.287 1.00 0.00 H new ATOM 0 HH22 ARG A 125 8.017 8.198 8.542 1.00 0.00 H new ATOM 1045 N ARG A 126 13.294 11.258 3.173 1.00 0.00 N ATOM 1046 CA ARG A 126 14.138 12.449 3.186 1.00 0.00 C ATOM 1047 C ARG A 126 15.019 12.487 1.938 1.00 0.00 C ATOM 1048 O ARG A 126 14.965 11.581 1.105 1.00 0.00 O ATOM 1049 CB ARG A 126 15.018 12.460 4.442 1.00 0.00 C ATOM 1050 CG ARG A 126 15.198 13.838 5.065 1.00 0.00 C ATOM 1051 CD ARG A 126 16.249 13.824 6.163 1.00 0.00 C ATOM 1052 NE ARG A 126 15.876 12.936 7.261 1.00 0.00 N ATOM 1053 CZ ARG A 126 16.191 13.146 8.538 1.00 0.00 C ATOM 1054 NH1 ARG A 126 16.922 14.197 8.893 1.00 0.00 N ATOM 1055 NH2 ARG A 126 15.778 12.296 9.467 1.00 0.00 N ATOM 0 H ARG A 126 13.805 10.382 3.064 1.00 0.00 H new ATOM 0 HA ARG A 126 13.495 13.329 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 126 14.581 11.792 5.184 1.00 0.00 H new ATOM 0 HB3 ARG A 126 15.999 12.057 4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 126 15.487 14.552 4.293 1.00 0.00 H new ATOM 0 HG3 ARG A 126 14.247 14.179 5.475 1.00 0.00 H new ATOM 0 HD2 ARG A 126 17.205 13.506 5.747 1.00 0.00 H new ATOM 0 HD3 ARG A 126 16.389 14.835 6.545 1.00 0.00 H new ATOM 0 HE ARG A 126 15.338 12.099 7.035 1.00 0.00 H new ATOM 0 HH11 ARG A 126 17.249 14.854 8.184 1.00 0.00 H new ATOM 0 HH12 ARG A 126 17.157 14.347 9.874 1.00 0.00 H new ATOM 0 HH21 ARG A 126 15.220 11.484 9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 126 16.018 12.454 10.446 1.00 0.00 H new ATOM 1069 N LYS A 127 15.814 13.543 1.807 1.00 0.00 N ATOM 1070 CA LYS A 127 16.726 13.690 0.679 1.00 0.00 C ATOM 1071 C LYS A 127 18.129 14.072 1.194 1.00 0.00 C ATOM 1072 O LYS A 127 18.708 13.341 1.999 1.00 0.00 O ATOM 1073 CB LYS A 127 16.189 14.736 -0.310 1.00 0.00 C ATOM 1074 CG LYS A 127 14.923 14.331 -1.036 1.00 0.00 C ATOM 1075 CD LYS A 127 14.564 15.362 -2.096 1.00 0.00 C ATOM 1076 CE LYS A 127 13.449 14.871 -3.001 1.00 0.00 C ATOM 1077 NZ LYS A 127 13.745 13.527 -3.566 1.00 0.00 N ATOM 0 H LYS A 127 15.845 14.315 2.473 1.00 0.00 H new ATOM 0 HA LYS A 127 16.801 12.741 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 127 16.000 15.664 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 127 16.962 14.949 -1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 127 15.060 13.355 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 127 14.104 14.233 -0.324 1.00 0.00 H new ATOM 0 HD2 LYS A 127 14.258 16.290 -1.613 1.00 0.00 H new ATOM 0 HD3 LYS A 127 15.445 15.590 -2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 127 12.516 14.831 -2.439 1.00 0.00 H new ATOM 0 HE3 LYS A 127 13.301 15.582 -3.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 13.199 13.390 -4.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 14.761 13.455 -3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 13.482 12.795 -2.876 1.00 0.00 H new ATOM 1091 N ARG A 128 18.675 15.209 0.742 1.00 0.00 N ATOM 1092 CA ARG A 128 19.982 15.662 1.182 1.00 0.00 C ATOM 1093 C ARG A 128 20.051 17.180 1.089 1.00 0.00 C ATOM 1094 O ARG A 128 20.935 17.737 0.441 1.00 0.00 O ATOM 1095 CB ARG A 128 21.096 15.033 0.346 1.00 0.00 C ATOM 1096 CG ARG A 128 20.779 14.938 -1.139 1.00 0.00 C ATOM 1097 CD ARG A 128 21.982 14.458 -1.938 1.00 0.00 C ATOM 1098 NE ARG A 128 22.797 15.569 -2.427 1.00 0.00 N ATOM 1099 CZ ARG A 128 23.789 16.134 -1.738 1.00 0.00 C ATOM 1100 NH1 ARG A 128 24.124 15.682 -0.536 1.00 0.00 N ATOM 1101 NH2 ARG A 128 24.458 17.151 -2.262 1.00 0.00 N ATOM 0 H ARG A 128 18.222 15.827 0.069 1.00 0.00 H new ATOM 0 HA ARG A 128 20.125 15.351 2.217 1.00 0.00 H new ATOM 0 HB2 ARG A 128 22.007 15.617 0.476 1.00 0.00 H new ATOM 0 HB3 ARG A 128 21.302 14.033 0.728 1.00 0.00 H new ATOM 0 HG2 ARG A 128 19.944 14.254 -1.291 1.00 0.00 H new ATOM 0 HG3 ARG A 128 20.462 15.914 -1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 128 22.594 13.807 -1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 128 21.640 13.860 -2.783 1.00 0.00 H new ATOM 0 HE ARG A 128 22.593 15.936 -3.357 1.00 0.00 H new ATOM 0 HH11 ARG A 128 23.621 14.894 -0.129 1.00 0.00 H new ATOM 0 HH12 ARG A 128 24.885 16.123 -0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 128 24.213 17.499 -3.189 1.00 0.00 H new ATOM 0 HH22 ARG A 128 25.217 17.586 -1.738 1.00 0.00 H new ATOM 1115 N LYS A 129 19.092 17.841 1.729 1.00 0.00 N ATOM 1116 CA LYS A 129 19.029 19.295 1.734 1.00 0.00 C ATOM 1117 C LYS A 129 18.668 19.805 3.125 1.00 0.00 C ATOM 1118 O LYS A 129 17.944 20.790 3.273 1.00 0.00 O ATOM 1119 CB LYS A 129 18.009 19.791 0.704 1.00 0.00 C ATOM 1120 CG LYS A 129 18.468 19.618 -0.736 1.00 0.00 C ATOM 1121 CD LYS A 129 17.368 19.984 -1.723 1.00 0.00 C ATOM 1122 CE LYS A 129 17.665 21.294 -2.437 1.00 0.00 C ATOM 1123 NZ LYS A 129 18.858 21.186 -3.324 1.00 0.00 N ATOM 0 H LYS A 129 18.344 17.388 2.254 1.00 0.00 H new ATOM 0 HA LYS A 129 20.011 19.684 1.464 1.00 0.00 H new ATOM 0 HB2 LYS A 129 17.071 19.254 0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 129 17.803 20.846 0.887 1.00 0.00 H new ATOM 0 HG2 LYS A 129 19.343 20.243 -0.917 1.00 0.00 H new ATOM 0 HG3 LYS A 129 18.775 18.585 -0.899 1.00 0.00 H new ATOM 0 HD2 LYS A 129 17.258 19.186 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 129 16.418 20.065 -1.195 1.00 0.00 H new ATOM 0 HE2 LYS A 129 16.798 21.589 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 129 17.831 22.080 -1.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 18.810 21.918 -4.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 19.722 21.319 -2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 18.876 20.246 -3.769 1.00 0.00 H new ATOM 1137 N GLY A 130 19.186 19.120 4.141 1.00 0.00 N ATOM 1138 CA GLY A 130 18.924 19.502 5.515 1.00 0.00 C ATOM 1139 C GLY A 130 19.970 18.950 6.467 1.00 0.00 C ATOM 1140 O GLY A 130 19.964 17.761 6.782 1.00 0.00 O ATOM 0 H GLY A 130 19.786 18.302 4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 130 18.902 20.589 5.591 1.00 0.00 H new ATOM 0 HA3 GLY A 130 17.939 19.141 5.810 1.00 0.00 H new ATOM 1144 N SER A 131 20.869 19.816 6.922 1.00 0.00 N ATOM 1145 CA SER A 131 21.935 19.415 7.835 1.00 0.00 C ATOM 1146 C SER A 131 22.817 18.340 7.201 1.00 0.00 C ATOM 1147 O SER A 131 22.524 17.140 7.387 1.00 0.00 O ATOM 1148 CB SER A 131 21.354 18.913 9.164 1.00 0.00 C ATOM 1149 OG SER A 131 20.871 17.585 9.056 1.00 0.00 O ATOM 1150 OXT SER A 131 23.792 18.711 6.517 1.00 0.00 O ATOM 0 H SER A 131 20.881 20.805 6.672 1.00 0.00 H new ATOM 0 HA SER A 131 22.551 20.291 8.037 1.00 0.00 H new ATOM 0 HB2 SER A 131 22.121 18.960 9.937 1.00 0.00 H new ATOM 0 HB3 SER A 131 20.544 19.571 9.479 1.00 0.00 H new ATOM 0 HG SER A 131 20.903 17.300 8.119 1.00 0.00 H new TER 1156 SER A 131 HETATM 1157 ZN ZN A 1 -1.528 -5.232 2.220 1.00 0.00 ZN