USER MOD reduce.3.24.130724 H: found=0, std=0, add=427, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 13 GLN : amide:sc= 0.875 K(o=2.1,f=-7.7!) USER MOD Set 1.2: A 16 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -179:sc= 1.24 (180deg=1.22) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -162:sc= -0.0476 (180deg=-0.344) USER MOD Single : A 30 SER OG : rot 180:sc= 0.00888 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.412 K(o=-0.41,f=-1.2) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc=-0.00528 (180deg=-0.174) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 1.11 (180deg=0.735) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -132:sc= -0.056 (180deg=-0.397) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.018 -6.894 17.751 1.00 0.00 N ATOM 2 CA GLY A 1 -2.533 -5.965 16.724 1.00 0.00 C ATOM 3 C GLY A 1 -3.233 -6.701 15.605 1.00 0.00 C ATOM 4 O GLY A 1 -2.796 -7.781 15.201 1.00 0.00 O ATOM 0 H1 GLY A 1 -1.559 -6.352 18.511 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.806 -7.446 18.146 1.00 0.00 H new ATOM 0 H3 GLY A 1 -1.326 -7.539 17.320 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.225 -5.260 17.185 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -1.708 -5.381 16.315 1.00 0.00 H new ATOM 10 N SER A 2 -4.317 -6.123 15.098 1.00 0.00 N ATOM 11 CA SER A 2 -5.089 -6.744 14.033 1.00 0.00 C ATOM 12 C SER A 2 -4.254 -6.902 12.765 1.00 0.00 C ATOM 13 O SER A 2 -4.071 -8.010 12.273 1.00 0.00 O ATOM 14 CB SER A 2 -6.347 -5.927 13.747 1.00 0.00 C ATOM 15 OG SER A 2 -7.129 -5.775 14.921 1.00 0.00 O ATOM 0 H SER A 2 -4.680 -5.222 15.410 1.00 0.00 H new ATOM 0 HA SER A 2 -5.384 -7.740 14.365 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.069 -4.946 13.361 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.937 -6.419 12.973 1.00 0.00 H new ATOM 0 HG SER A 2 -7.929 -5.247 14.715 1.00 0.00 H new ATOM 21 N VAL A 3 -3.720 -5.793 12.257 1.00 0.00 N ATOM 22 CA VAL A 3 -2.913 -5.819 11.035 1.00 0.00 C ATOM 23 C VAL A 3 -1.655 -6.653 11.254 1.00 0.00 C ATOM 24 O VAL A 3 -1.171 -7.314 10.349 1.00 0.00 O ATOM 25 CB VAL A 3 -2.514 -4.397 10.581 1.00 0.00 C ATOM 26 CG1 VAL A 3 -1.894 -4.431 9.192 1.00 0.00 C ATOM 27 CG2 VAL A 3 -3.718 -3.464 10.613 1.00 0.00 C ATOM 0 H VAL A 3 -3.830 -4.867 12.670 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.523 -6.267 10.251 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.768 -4.013 11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.620 -3.420 8.891 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.003 -5.059 9.206 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.614 -4.838 8.482 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.415 -2.468 10.290 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.490 -3.843 9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.111 -3.412 11.628 1.00 0.00 H new ATOM 37 N GLU A 4 -1.162 -6.618 12.477 1.00 0.00 N ATOM 38 CA GLU A 4 0.009 -7.405 12.882 1.00 0.00 C ATOM 39 C GLU A 4 -0.237 -8.895 12.607 1.00 0.00 C ATOM 40 O GLU A 4 0.613 -9.591 12.051 1.00 0.00 O ATOM 41 CB GLU A 4 0.294 -7.188 14.381 1.00 0.00 C ATOM 42 CG GLU A 4 1.315 -8.138 14.976 1.00 0.00 C ATOM 43 CD GLU A 4 1.307 -8.090 16.483 1.00 0.00 C ATOM 44 OE1 GLU A 4 0.242 -8.361 17.083 1.00 0.00 O ATOM 45 OE2 GLU A 4 2.358 -7.785 17.085 1.00 0.00 O ATOM 0 H GLU A 4 -1.555 -6.046 13.225 1.00 0.00 H new ATOM 0 HA GLU A 4 0.873 -7.077 12.304 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.642 -6.165 14.526 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.641 -7.289 14.933 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.104 -9.154 14.643 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.309 -7.882 14.609 1.00 0.00 H new ATOM 52 N LYS A 5 -1.408 -9.357 12.997 1.00 0.00 N ATOM 53 CA LYS A 5 -1.801 -10.745 12.818 1.00 0.00 C ATOM 54 C LYS A 5 -2.240 -11.021 11.376 1.00 0.00 C ATOM 55 O LYS A 5 -2.035 -12.118 10.848 1.00 0.00 O ATOM 56 CB LYS A 5 -2.941 -11.073 13.779 1.00 0.00 C ATOM 57 CG LYS A 5 -3.404 -12.520 13.741 1.00 0.00 C ATOM 58 CD LYS A 5 -4.681 -12.709 14.545 1.00 0.00 C ATOM 59 CE LYS A 5 -5.830 -11.915 13.941 1.00 0.00 C ATOM 60 NZ LYS A 5 -7.080 -12.063 14.714 1.00 0.00 N ATOM 0 H LYS A 5 -2.118 -8.780 13.449 1.00 0.00 H new ATOM 0 HA LYS A 5 -0.939 -11.378 13.031 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.623 -10.833 14.794 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.789 -10.428 13.550 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -3.573 -12.824 12.708 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.621 -13.166 14.139 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.942 -13.767 14.576 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -4.517 -12.391 15.575 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.556 -10.861 13.895 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.998 -12.245 12.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.834 -11.505 14.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.358 -13.065 14.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.930 -11.724 15.685 1.00 0.00 H new ATOM 74 N LEU A 6 -2.824 -10.018 10.745 1.00 0.00 N ATOM 75 CA LEU A 6 -3.350 -10.167 9.390 1.00 0.00 C ATOM 76 C LEU A 6 -2.249 -10.089 8.335 1.00 0.00 C ATOM 77 O LEU A 6 -2.350 -10.711 7.279 1.00 0.00 O ATOM 78 CB LEU A 6 -4.433 -9.116 9.101 1.00 0.00 C ATOM 79 CG LEU A 6 -5.687 -9.181 9.984 1.00 0.00 C ATOM 80 CD1 LEU A 6 -6.657 -8.069 9.618 1.00 0.00 C ATOM 81 CD2 LEU A 6 -6.364 -10.540 9.863 1.00 0.00 C ATOM 0 H LEU A 6 -2.949 -9.088 11.146 1.00 0.00 H new ATOM 0 HA LEU A 6 -3.796 -11.160 9.333 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.989 -8.126 9.208 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.740 -9.217 8.060 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.379 -9.044 11.021 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.539 -8.132 10.255 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.174 -7.103 9.762 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -6.954 -8.174 8.575 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -7.250 -10.563 10.497 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.655 -10.710 8.827 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.672 -11.321 10.178 1.00 0.00 H new ATOM 93 N THR A 7 -1.217 -9.315 8.605 1.00 0.00 N ATOM 94 CA THR A 7 -0.138 -9.156 7.700 1.00 0.00 C ATOM 95 C THR A 7 1.157 -8.921 8.500 1.00 0.00 C ATOM 96 O THR A 7 1.407 -7.811 8.969 1.00 0.00 O ATOM 97 CB THR A 7 -0.398 -7.934 6.786 1.00 0.00 C ATOM 98 OG1 THR A 7 -1.684 -8.077 6.163 1.00 0.00 O ATOM 99 CG2 THR A 7 0.669 -7.830 5.704 1.00 0.00 C ATOM 0 H THR A 7 -1.120 -8.782 9.469 1.00 0.00 H new ATOM 0 HA THR A 7 -0.042 -10.052 7.087 1.00 0.00 H new ATOM 0 HB THR A 7 -0.368 -7.031 7.395 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.855 -7.305 5.584 1.00 0.00 H new ATOM 0 HG21 THR A 7 0.465 -6.964 5.074 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.649 -7.718 6.169 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.658 -8.733 5.094 1.00 0.00 H new ATOM 107 N ALA A 8 1.973 -9.954 8.658 1.00 0.00 N ATOM 108 CA ALA A 8 3.271 -9.801 9.315 1.00 0.00 C ATOM 109 C ALA A 8 4.270 -9.193 8.356 1.00 0.00 C ATOM 110 O ALA A 8 5.277 -8.634 8.765 1.00 0.00 O ATOM 111 CB ALA A 8 3.791 -11.137 9.841 1.00 0.00 C ATOM 0 H ALA A 8 1.765 -10.902 8.344 1.00 0.00 H new ATOM 0 HA ALA A 8 3.140 -9.135 10.168 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.757 -10.987 10.323 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.084 -11.543 10.564 1.00 0.00 H new ATOM 0 HB3 ALA A 8 3.904 -11.835 9.012 1.00 0.00 H new ATOM 117 N ASP A 9 3.954 -9.280 7.072 1.00 0.00 N ATOM 118 CA ASP A 9 4.813 -8.741 6.016 1.00 0.00 C ATOM 119 C ASP A 9 5.043 -7.267 6.262 1.00 0.00 C ATOM 120 O ASP A 9 6.169 -6.774 6.184 1.00 0.00 O ATOM 121 CB ASP A 9 4.177 -8.944 4.622 1.00 0.00 C ATOM 122 CG ASP A 9 5.084 -8.504 3.487 1.00 0.00 C ATOM 123 OD1 ASP A 9 5.756 -9.370 2.900 1.00 0.00 O ATOM 124 OD2 ASP A 9 5.130 -7.295 3.175 1.00 0.00 O ATOM 0 H ASP A 9 3.101 -9.723 6.729 1.00 0.00 H new ATOM 0 HA ASP A 9 5.763 -9.275 6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.927 -9.997 4.493 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.242 -8.386 4.570 1.00 0.00 H new ATOM 129 N ALA A 10 3.962 -6.570 6.590 1.00 0.00 N ATOM 130 CA ALA A 10 4.020 -5.125 6.861 1.00 0.00 C ATOM 131 C ALA A 10 4.886 -4.812 8.073 1.00 0.00 C ATOM 132 O ALA A 10 5.569 -3.789 8.111 1.00 0.00 O ATOM 133 CB ALA A 10 2.616 -4.546 7.053 1.00 0.00 C ATOM 0 H ALA A 10 3.030 -6.976 6.677 1.00 0.00 H new ATOM 0 HA ALA A 10 4.478 -4.655 5.990 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.687 -3.477 7.252 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.029 -4.709 6.149 1.00 0.00 H new ATOM 0 HB3 ALA A 10 2.131 -5.040 7.895 1.00 0.00 H new ATOM 139 N GLU A 11 4.879 -5.702 9.045 1.00 0.00 N ATOM 140 CA GLU A 11 5.644 -5.495 10.267 1.00 0.00 C ATOM 141 C GLU A 11 7.112 -5.779 10.014 1.00 0.00 C ATOM 142 O GLU A 11 7.995 -5.091 10.534 1.00 0.00 O ATOM 143 CB GLU A 11 5.105 -6.370 11.400 1.00 0.00 C ATOM 144 CG GLU A 11 3.639 -6.104 11.737 1.00 0.00 C ATOM 145 CD GLU A 11 3.370 -4.648 12.055 1.00 0.00 C ATOM 146 OE1 GLU A 11 3.341 -4.295 13.250 1.00 0.00 O ATOM 147 OE2 GLU A 11 3.182 -3.849 11.113 1.00 0.00 O ATOM 0 H GLU A 11 4.354 -6.576 9.016 1.00 0.00 H new ATOM 0 HA GLU A 11 5.540 -4.454 10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.221 -7.418 11.124 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.709 -6.207 12.292 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.016 -6.410 10.897 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.349 -6.718 12.590 1.00 0.00 H new ATOM 154 N LEU A 12 7.364 -6.792 9.202 1.00 0.00 N ATOM 155 CA LEU A 12 8.725 -7.146 8.800 1.00 0.00 C ATOM 156 C LEU A 12 9.355 -5.986 8.042 1.00 0.00 C ATOM 157 O LEU A 12 10.538 -5.683 8.216 1.00 0.00 O ATOM 158 CB LEU A 12 8.739 -8.419 7.928 1.00 0.00 C ATOM 159 CG LEU A 12 8.705 -9.776 8.670 1.00 0.00 C ATOM 160 CD1 LEU A 12 7.832 -9.725 9.914 1.00 0.00 C ATOM 161 CD2 LEU A 12 8.202 -10.856 7.735 1.00 0.00 C ATOM 0 H LEU A 12 6.641 -7.391 8.803 1.00 0.00 H new ATOM 0 HA LEU A 12 9.305 -7.351 9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.882 -8.379 7.255 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.634 -8.395 7.306 1.00 0.00 H new ATOM 0 HG LEU A 12 9.722 -10.003 8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.838 -10.699 10.403 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.220 -8.972 10.600 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.811 -9.467 9.632 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.179 -11.811 8.261 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.197 -10.604 7.396 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.867 -10.931 6.875 1.00 0.00 H new ATOM 173 N GLN A 13 8.547 -5.328 7.211 1.00 0.00 N ATOM 174 CA GLN A 13 9.001 -4.163 6.456 1.00 0.00 C ATOM 175 C GLN A 13 9.481 -3.069 7.395 1.00 0.00 C ATOM 176 O GLN A 13 10.491 -2.415 7.132 1.00 0.00 O ATOM 177 CB GLN A 13 7.888 -3.618 5.558 1.00 0.00 C ATOM 178 CG GLN A 13 7.511 -4.528 4.403 1.00 0.00 C ATOM 179 CD GLN A 13 8.669 -4.787 3.460 1.00 0.00 C ATOM 180 OE1 GLN A 13 9.407 -5.764 3.609 1.00 0.00 O ATOM 181 NE2 GLN A 13 8.843 -3.914 2.492 1.00 0.00 N ATOM 0 H GLN A 13 7.574 -5.583 7.044 1.00 0.00 H new ATOM 0 HA GLN A 13 9.831 -4.483 5.826 1.00 0.00 H new ATOM 0 HB2 GLN A 13 7.002 -3.438 6.167 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.201 -2.654 5.158 1.00 0.00 H new ATOM 0 HG2 GLN A 13 7.149 -5.478 4.797 1.00 0.00 H new ATOM 0 HG3 GLN A 13 6.688 -4.080 3.846 1.00 0.00 H new ATOM 0 HE21 GLN A 13 8.210 -3.119 2.403 1.00 0.00 H new ATOM 0 HE22 GLN A 13 9.610 -4.032 1.831 1.00 0.00 H new ATOM 190 N ARG A 14 8.760 -2.884 8.502 1.00 0.00 N ATOM 191 CA ARG A 14 9.121 -1.873 9.489 1.00 0.00 C ATOM 192 C ARG A 14 10.508 -2.154 10.036 1.00 0.00 C ATOM 193 O ARG A 14 11.340 -1.260 10.121 1.00 0.00 O ATOM 194 CB ARG A 14 8.114 -1.835 10.644 1.00 0.00 C ATOM 195 CG ARG A 14 6.679 -1.616 10.218 1.00 0.00 C ATOM 196 CD ARG A 14 5.774 -1.436 11.425 1.00 0.00 C ATOM 197 NE ARG A 14 4.363 -1.444 11.057 1.00 0.00 N ATOM 198 CZ ARG A 14 3.652 -0.358 10.748 1.00 0.00 C ATOM 199 NH1 ARG A 14 4.225 0.844 10.729 1.00 0.00 N ATOM 200 NH2 ARG A 14 2.370 -0.477 10.445 1.00 0.00 N ATOM 0 H ARG A 14 7.925 -3.421 8.735 1.00 0.00 H new ATOM 0 HA ARG A 14 9.110 -0.903 8.992 1.00 0.00 H new ATOM 0 HB2 ARG A 14 8.177 -2.773 11.195 1.00 0.00 H new ATOM 0 HB3 ARG A 14 8.400 -1.041 11.333 1.00 0.00 H new ATOM 0 HG2 ARG A 14 6.616 -0.736 9.578 1.00 0.00 H new ATOM 0 HG3 ARG A 14 6.338 -2.466 9.627 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.966 -2.233 12.144 1.00 0.00 H new ATOM 0 HD3 ARG A 14 6.014 -0.495 11.921 1.00 0.00 H new ATOM 0 HE ARG A 14 3.885 -2.345 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 14 5.216 0.940 10.952 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.673 1.668 10.492 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.928 -1.396 10.448 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.823 0.351 10.208 1.00 0.00 H new ATOM 214 N LEU A 15 10.751 -3.413 10.380 1.00 0.00 N ATOM 215 CA LEU A 15 12.035 -3.832 10.925 1.00 0.00 C ATOM 216 C LEU A 15 13.160 -3.601 9.920 1.00 0.00 C ATOM 217 O LEU A 15 14.175 -2.995 10.245 1.00 0.00 O ATOM 218 CB LEU A 15 11.984 -5.312 11.338 1.00 0.00 C ATOM 219 CG LEU A 15 13.297 -5.912 11.848 1.00 0.00 C ATOM 220 CD1 LEU A 15 13.753 -5.223 13.124 1.00 0.00 C ATOM 221 CD2 LEU A 15 13.141 -7.405 12.071 1.00 0.00 C ATOM 0 H LEU A 15 10.069 -4.166 10.290 1.00 0.00 H new ATOM 0 HA LEU A 15 12.240 -3.227 11.808 1.00 0.00 H new ATOM 0 HB2 LEU A 15 11.229 -5.426 12.116 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.649 -5.897 10.481 1.00 0.00 H new ATOM 0 HG LEU A 15 14.063 -5.751 11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.688 -5.669 13.464 1.00 0.00 H new ATOM 0 HD12 LEU A 15 13.907 -4.162 12.929 1.00 0.00 H new ATOM 0 HD13 LEU A 15 12.992 -5.344 13.895 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.082 -7.819 12.434 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.358 -7.583 12.808 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.871 -7.887 11.131 1.00 0.00 H new ATOM 233 N LYS A 16 12.954 -4.068 8.697 1.00 0.00 N ATOM 234 CA LYS A 16 13.947 -3.936 7.629 1.00 0.00 C ATOM 235 C LYS A 16 14.286 -2.469 7.361 1.00 0.00 C ATOM 236 O LYS A 16 15.459 -2.105 7.195 1.00 0.00 O ATOM 237 CB LYS A 16 13.428 -4.592 6.350 1.00 0.00 C ATOM 238 CG LYS A 16 13.209 -6.093 6.473 1.00 0.00 C ATOM 239 CD LYS A 16 12.316 -6.621 5.359 1.00 0.00 C ATOM 240 CE LYS A 16 12.896 -6.347 3.985 1.00 0.00 C ATOM 241 NZ LYS A 16 11.962 -6.752 2.907 1.00 0.00 N ATOM 0 H LYS A 16 12.100 -4.548 8.413 1.00 0.00 H new ATOM 0 HA LYS A 16 14.858 -4.439 7.953 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.488 -4.119 6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 16 14.136 -4.403 5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.171 -6.605 6.443 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.758 -6.318 7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.176 -7.695 5.485 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.331 -6.160 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.123 -5.285 3.891 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.837 -6.885 3.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.246 -6.301 2.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.987 -7.786 2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.997 -6.453 3.154 1.00 0.00 H new ATOM 255 N ASN A 17 13.264 -1.635 7.346 1.00 0.00 N ATOM 256 CA ASN A 17 13.444 -0.211 7.066 1.00 0.00 C ATOM 257 C ASN A 17 14.073 0.503 8.259 1.00 0.00 C ATOM 258 O ASN A 17 15.081 1.199 8.119 1.00 0.00 O ATOM 259 CB ASN A 17 12.103 0.455 6.702 1.00 0.00 C ATOM 260 CG ASN A 17 12.253 1.927 6.355 1.00 0.00 C ATOM 261 OD1 ASN A 17 12.197 2.792 7.226 1.00 0.00 O ATOM 262 ND2 ASN A 17 12.428 2.219 5.079 1.00 0.00 N ATOM 0 H ASN A 17 12.299 -1.912 7.523 1.00 0.00 H new ATOM 0 HA ASN A 17 14.117 -0.126 6.213 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.659 -0.070 5.856 1.00 0.00 H new ATOM 0 HB3 ASN A 17 11.412 0.352 7.539 1.00 0.00 H new ATOM 0 HD21 ASN A 17 12.522 3.192 4.787 1.00 0.00 H new ATOM 0 HD22 ASN A 17 12.469 1.472 4.386 1.00 0.00 H new ATOM 269 N GLU A 18 13.492 0.295 9.432 1.00 0.00 N ATOM 270 CA GLU A 18 13.948 0.950 10.652 1.00 0.00 C ATOM 271 C GLU A 18 15.394 0.588 10.983 1.00 0.00 C ATOM 272 O GLU A 18 16.185 1.462 11.341 1.00 0.00 O ATOM 273 CB GLU A 18 13.033 0.595 11.821 1.00 0.00 C ATOM 274 CG GLU A 18 13.326 1.363 13.093 1.00 0.00 C ATOM 275 CD GLU A 18 12.421 0.956 14.227 1.00 0.00 C ATOM 276 OE1 GLU A 18 11.369 1.596 14.415 1.00 0.00 O ATOM 277 OE2 GLU A 18 12.750 -0.010 14.933 1.00 0.00 O ATOM 0 H GLU A 18 12.696 -0.328 9.566 1.00 0.00 H new ATOM 0 HA GLU A 18 13.907 2.026 10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.999 0.780 11.528 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.121 -0.472 12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.364 1.200 13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.212 2.431 12.905 1.00 0.00 H new ATOM 284 N ARG A 19 15.751 -0.693 10.848 1.00 0.00 N ATOM 285 CA ARG A 19 17.114 -1.120 11.154 1.00 0.00 C ATOM 286 C ARG A 19 18.117 -0.432 10.230 1.00 0.00 C ATOM 287 O ARG A 19 19.229 -0.124 10.642 1.00 0.00 O ATOM 288 CB ARG A 19 17.271 -2.651 11.092 1.00 0.00 C ATOM 289 CG ARG A 19 17.175 -3.249 9.699 1.00 0.00 C ATOM 290 CD ARG A 19 17.314 -4.761 9.741 1.00 0.00 C ATOM 291 NE ARG A 19 17.208 -5.365 8.409 1.00 0.00 N ATOM 292 CZ ARG A 19 17.043 -6.675 8.191 1.00 0.00 C ATOM 293 NH1 ARG A 19 16.994 -7.522 9.214 1.00 0.00 N ATOM 294 NH2 ARG A 19 16.935 -7.136 6.952 1.00 0.00 N ATOM 0 H ARG A 19 15.127 -1.437 10.535 1.00 0.00 H new ATOM 0 HA ARG A 19 17.324 -0.818 12.180 1.00 0.00 H new ATOM 0 HB2 ARG A 19 18.236 -2.920 11.521 1.00 0.00 H new ATOM 0 HB3 ARG A 19 16.505 -3.106 11.720 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.218 -2.981 9.250 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.954 -2.827 9.064 1.00 0.00 H new ATOM 0 HD2 ARG A 19 18.276 -5.023 10.181 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.543 -5.177 10.389 1.00 0.00 H new ATOM 0 HE ARG A 19 17.263 -4.748 7.598 1.00 0.00 H new ATOM 0 HH11 ARG A 19 17.082 -7.174 10.169 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.868 -8.520 9.044 1.00 0.00 H new ATOM 0 HH21 ARG A 19 16.978 -6.492 6.163 1.00 0.00 H new ATOM 0 HH22 ARG A 19 16.809 -8.135 6.789 1.00 0.00 H new ATOM 308 N HIS A 20 17.709 -0.168 8.985 1.00 0.00 N ATOM 309 CA HIS A 20 18.585 0.534 8.044 1.00 0.00 C ATOM 310 C HIS A 20 18.714 1.996 8.454 1.00 0.00 C ATOM 311 O HIS A 20 19.768 2.601 8.294 1.00 0.00 O ATOM 312 CB HIS A 20 18.065 0.438 6.594 1.00 0.00 C ATOM 313 CG HIS A 20 19.033 0.977 5.572 1.00 0.00 C ATOM 314 ND1 HIS A 20 18.883 2.199 4.951 1.00 0.00 N ATOM 315 CD2 HIS A 20 20.170 0.442 5.065 1.00 0.00 C ATOM 316 CE1 HIS A 20 19.878 2.393 4.112 1.00 0.00 C ATOM 317 NE2 HIS A 20 20.675 1.343 4.161 1.00 0.00 N ATOM 0 H HIS A 20 16.795 -0.424 8.611 1.00 0.00 H new ATOM 0 HA HIS A 20 19.563 0.053 8.076 1.00 0.00 H new ATOM 0 HB2 HIS A 20 17.848 -0.605 6.363 1.00 0.00 H new ATOM 0 HB3 HIS A 20 17.125 0.984 6.516 1.00 0.00 H new ATOM 0 HD2 HIS A 20 20.599 -0.515 5.324 1.00 0.00 H new ATOM 0 HE1 HIS A 20 20.018 3.264 3.489 1.00 0.00 H new ATOM 0 HE2 HIS A 20 21.528 1.221 3.616 1.00 0.00 H new ATOM 325 N GLU A 21 17.636 2.541 9.003 1.00 0.00 N ATOM 326 CA GLU A 21 17.614 3.932 9.458 1.00 0.00 C ATOM 327 C GLU A 21 18.510 4.113 10.677 1.00 0.00 C ATOM 328 O GLU A 21 19.281 5.076 10.766 1.00 0.00 O ATOM 329 CB GLU A 21 16.183 4.381 9.798 1.00 0.00 C ATOM 330 CG GLU A 21 16.110 5.797 10.339 1.00 0.00 C ATOM 331 CD GLU A 21 14.721 6.186 10.778 1.00 0.00 C ATOM 332 OE1 GLU A 21 14.012 6.837 9.991 1.00 0.00 O ATOM 333 OE2 GLU A 21 14.333 5.842 11.922 1.00 0.00 O ATOM 0 H GLU A 21 16.759 2.040 9.146 1.00 0.00 H new ATOM 0 HA GLU A 21 17.990 4.551 8.643 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.565 4.309 8.903 1.00 0.00 H new ATOM 0 HB3 GLU A 21 15.760 3.696 10.533 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.793 5.894 11.183 1.00 0.00 H new ATOM 0 HG3 GLU A 21 16.451 6.492 9.572 1.00 0.00 H new ATOM 340 N GLU A 22 18.427 3.170 11.599 1.00 0.00 N ATOM 341 CA GLU A 22 19.210 3.230 12.828 1.00 0.00 C ATOM 342 C GLU A 22 20.679 2.966 12.521 1.00 0.00 C ATOM 343 O GLU A 22 21.574 3.489 13.187 1.00 0.00 O ATOM 344 CB GLU A 22 18.678 2.228 13.867 1.00 0.00 C ATOM 345 CG GLU A 22 17.237 2.500 14.304 1.00 0.00 C ATOM 346 CD GLU A 22 16.733 1.497 15.315 1.00 0.00 C ATOM 347 OE1 GLU A 22 16.679 0.295 14.992 1.00 0.00 O ATOM 348 OE2 GLU A 22 16.371 1.910 16.437 1.00 0.00 O ATOM 0 H GLU A 22 17.825 2.350 11.523 1.00 0.00 H new ATOM 0 HA GLU A 22 19.116 4.229 13.254 1.00 0.00 H new ATOM 0 HB2 GLU A 22 18.738 1.222 13.452 1.00 0.00 H new ATOM 0 HB3 GLU A 22 19.325 2.250 14.744 1.00 0.00 H new ATOM 0 HG2 GLU A 22 17.174 3.501 14.730 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.588 2.485 13.429 1.00 0.00 H new ATOM 355 N ALA A 23 20.915 2.191 11.476 1.00 0.00 N ATOM 356 CA ALA A 23 22.269 1.876 11.035 1.00 0.00 C ATOM 357 C ALA A 23 22.811 3.016 10.185 1.00 0.00 C ATOM 358 O ALA A 23 24.013 3.123 9.943 1.00 0.00 O ATOM 359 CB ALA A 23 22.302 0.563 10.258 1.00 0.00 C ATOM 0 H ALA A 23 20.181 1.764 10.911 1.00 0.00 H new ATOM 0 HA ALA A 23 22.902 1.756 11.914 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.324 0.353 9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.946 -0.246 10.896 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.660 0.643 9.381 1.00 0.00 H new ATOM 365 N GLU A 24 21.905 3.864 9.730 1.00 0.00 N ATOM 366 CA GLU A 24 22.263 5.002 8.898 1.00 0.00 C ATOM 367 C GLU A 24 22.876 6.084 9.774 1.00 0.00 C ATOM 368 O GLU A 24 23.896 6.675 9.426 1.00 0.00 O ATOM 369 CB GLU A 24 21.039 5.532 8.134 1.00 0.00 C ATOM 370 CG GLU A 24 21.352 6.638 7.145 1.00 0.00 C ATOM 371 CD GLU A 24 20.144 7.026 6.327 1.00 0.00 C ATOM 372 OE1 GLU A 24 19.391 7.925 6.755 1.00 0.00 O ATOM 373 OE2 GLU A 24 19.935 6.429 5.255 1.00 0.00 O ATOM 0 H GLU A 24 20.907 3.785 9.925 1.00 0.00 H new ATOM 0 HA GLU A 24 22.995 4.689 8.153 1.00 0.00 H new ATOM 0 HB2 GLU A 24 20.572 4.704 7.600 1.00 0.00 H new ATOM 0 HB3 GLU A 24 20.308 5.900 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 24 21.721 7.511 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 24 22.151 6.313 6.479 1.00 0.00 H new ATOM 380 N LEU A 25 22.247 6.327 10.923 1.00 0.00 N ATOM 381 CA LEU A 25 22.773 7.274 11.901 1.00 0.00 C ATOM 382 C LEU A 25 24.150 6.812 12.384 1.00 0.00 C ATOM 383 O LEU A 25 25.048 7.621 12.608 1.00 0.00 O ATOM 384 CB LEU A 25 21.806 7.405 13.085 1.00 0.00 C ATOM 385 CG LEU A 25 22.201 8.418 14.164 1.00 0.00 C ATOM 386 CD1 LEU A 25 22.276 9.823 13.583 1.00 0.00 C ATOM 387 CD2 LEU A 25 21.219 8.371 15.324 1.00 0.00 C ATOM 0 H LEU A 25 21.372 5.880 11.198 1.00 0.00 H new ATOM 0 HA LEU A 25 22.876 8.252 11.430 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.824 7.679 12.699 1.00 0.00 H new ATOM 0 HB3 LEU A 25 21.702 6.426 13.554 1.00 0.00 H new ATOM 0 HG LEU A 25 23.189 8.151 14.538 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.558 10.526 14.367 1.00 0.00 H new ATOM 0 HD12 LEU A 25 23.021 9.848 12.787 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.303 10.102 13.178 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.515 9.097 16.081 1.00 0.00 H new ATOM 0 HD22 LEU A 25 20.218 8.610 14.964 1.00 0.00 H new ATOM 0 HD23 LEU A 25 21.218 7.372 15.760 1.00 0.00 H new ATOM 399 N GLU A 26 24.299 5.499 12.528 1.00 0.00 N ATOM 400 CA GLU A 26 25.580 4.906 12.920 1.00 0.00 C ATOM 401 C GLU A 26 26.667 5.243 11.901 1.00 0.00 C ATOM 402 O GLU A 26 27.819 5.496 12.264 1.00 0.00 O ATOM 403 CB GLU A 26 25.467 3.391 13.099 1.00 0.00 C ATOM 404 CG GLU A 26 24.671 2.985 14.325 1.00 0.00 C ATOM 405 CD GLU A 26 25.152 3.693 15.573 1.00 0.00 C ATOM 406 OE1 GLU A 26 24.534 4.702 15.960 1.00 0.00 O ATOM 407 OE2 GLU A 26 26.162 3.250 16.168 1.00 0.00 O ATOM 0 H GLU A 26 23.550 4.822 12.380 1.00 0.00 H new ATOM 0 HA GLU A 26 25.859 5.336 13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 26 24.999 2.962 12.213 1.00 0.00 H new ATOM 0 HB3 GLU A 26 26.468 2.965 13.168 1.00 0.00 H new ATOM 0 HG2 GLU A 26 23.617 3.210 14.164 1.00 0.00 H new ATOM 0 HG3 GLU A 26 24.748 1.907 14.467 1.00 0.00 H new ATOM 414 N ARG A 27 26.282 5.263 10.634 1.00 0.00 N ATOM 415 CA ARG A 27 27.196 5.617 9.549 1.00 0.00 C ATOM 416 C ARG A 27 27.490 7.110 9.566 1.00 0.00 C ATOM 417 O ARG A 27 28.569 7.547 9.171 1.00 0.00 O ATOM 418 CB ARG A 27 26.602 5.233 8.194 1.00 0.00 C ATOM 419 CG ARG A 27 26.504 3.743 7.958 1.00 0.00 C ATOM 420 CD ARG A 27 25.619 3.443 6.764 1.00 0.00 C ATOM 421 NE ARG A 27 25.793 2.082 6.266 1.00 0.00 N ATOM 422 CZ ARG A 27 25.282 0.985 6.829 1.00 0.00 C ATOM 423 NH1 ARG A 27 24.651 1.044 7.996 1.00 0.00 N ATOM 424 NH2 ARG A 27 25.434 -0.175 6.232 1.00 0.00 N ATOM 0 H ARG A 27 25.336 5.037 10.326 1.00 0.00 H new ATOM 0 HA ARG A 27 28.124 5.065 9.700 1.00 0.00 H new ATOM 0 HB2 ARG A 27 25.606 5.669 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 27 27.211 5.675 7.405 1.00 0.00 H new ATOM 0 HG2 ARG A 27 27.499 3.331 7.791 1.00 0.00 H new ATOM 0 HG3 ARG A 27 26.102 3.255 8.846 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.576 3.594 7.042 1.00 0.00 H new ATOM 0 HD3 ARG A 27 25.841 4.150 5.965 1.00 0.00 H new ATOM 0 HE ARG A 27 26.350 1.959 5.420 1.00 0.00 H new ATOM 0 HH11 ARG A 27 24.551 1.938 8.477 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.267 0.195 8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 27 25.938 -0.231 5.347 1.00 0.00 H new ATOM 0 HH22 ARG A 27 25.048 -1.020 6.653 1.00 0.00 H new ATOM 438 N LEU A 28 26.516 7.889 10.010 1.00 0.00 N ATOM 439 CA LEU A 28 26.672 9.340 10.094 1.00 0.00 C ATOM 440 C LEU A 28 27.656 9.703 11.197 1.00 0.00 C ATOM 441 O LEU A 28 28.461 10.620 11.043 1.00 0.00 O ATOM 442 CB LEU A 28 25.318 10.036 10.341 1.00 0.00 C ATOM 443 CG LEU A 28 25.362 11.566 10.423 1.00 0.00 C ATOM 444 CD1 LEU A 28 25.789 12.168 9.091 1.00 0.00 C ATOM 445 CD2 LEU A 28 24.011 12.115 10.852 1.00 0.00 C ATOM 0 H LEU A 28 25.607 7.544 10.319 1.00 0.00 H new ATOM 0 HA LEU A 28 27.063 9.690 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 28 24.634 9.753 9.541 1.00 0.00 H new ATOM 0 HB3 LEU A 28 24.898 9.653 11.271 1.00 0.00 H new ATOM 0 HG LEU A 28 26.102 11.847 11.173 1.00 0.00 H new ATOM 0 HD11 LEU A 28 25.813 13.255 9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 28 26.782 11.802 8.828 1.00 0.00 H new ATOM 0 HD13 LEU A 28 25.079 11.879 8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 28 24.060 13.203 10.905 1.00 0.00 H new ATOM 0 HD22 LEU A 28 23.252 11.821 10.127 1.00 0.00 H new ATOM 0 HD23 LEU A 28 23.750 11.715 11.832 1.00 0.00 H new ATOM 457 N LYS A 29 27.592 8.969 12.302 1.00 0.00 N ATOM 458 CA LYS A 29 28.480 9.203 13.439 1.00 0.00 C ATOM 459 C LYS A 29 29.939 8.998 13.048 1.00 0.00 C ATOM 460 O LYS A 29 30.768 9.901 13.211 1.00 0.00 O ATOM 461 CB LYS A 29 28.120 8.285 14.614 1.00 0.00 C ATOM 462 CG LYS A 29 26.757 8.567 15.221 1.00 0.00 C ATOM 463 CD LYS A 29 26.471 7.640 16.391 1.00 0.00 C ATOM 464 CE LYS A 29 25.180 8.024 17.101 1.00 0.00 C ATOM 465 NZ LYS A 29 25.259 9.378 17.708 1.00 0.00 N ATOM 0 H LYS A 29 26.932 8.203 12.437 1.00 0.00 H new ATOM 0 HA LYS A 29 28.347 10.239 13.750 1.00 0.00 H new ATOM 0 HB2 LYS A 29 28.148 7.249 14.275 1.00 0.00 H new ATOM 0 HB3 LYS A 29 28.880 8.388 15.389 1.00 0.00 H new ATOM 0 HG2 LYS A 29 26.713 9.603 15.556 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.986 8.445 14.461 1.00 0.00 H new ATOM 0 HD2 LYS A 29 26.400 6.612 16.034 1.00 0.00 H new ATOM 0 HD3 LYS A 29 27.301 7.676 17.097 1.00 0.00 H new ATOM 0 HE2 LYS A 29 24.353 7.993 16.391 1.00 0.00 H new ATOM 0 HE3 LYS A 29 24.962 7.291 17.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 24.510 9.483 18.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 26.187 9.502 18.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 25.135 10.098 16.968 1.00 0.00 H new ATOM 479 N SER A 30 30.254 7.812 12.542 1.00 0.00 N ATOM 480 CA SER A 30 31.606 7.491 12.120 1.00 0.00 C ATOM 481 C SER A 30 32.098 8.456 11.043 1.00 0.00 C ATOM 482 O SER A 30 33.238 8.935 11.097 1.00 0.00 O ATOM 483 CB SER A 30 31.662 6.047 11.624 1.00 0.00 C ATOM 484 OG SER A 30 30.564 5.761 10.771 1.00 0.00 O ATOM 0 H SER A 30 29.584 7.054 12.415 1.00 0.00 H new ATOM 0 HA SER A 30 32.270 7.598 12.978 1.00 0.00 H new ATOM 0 HB2 SER A 30 32.597 5.878 11.089 1.00 0.00 H new ATOM 0 HB3 SER A 30 31.654 5.366 12.475 1.00 0.00 H new ATOM 0 HG SER A 30 30.621 4.832 10.464 1.00 0.00 H new ATOM 490 N GLU A 31 31.229 8.758 10.086 1.00 0.00 N ATOM 491 CA GLU A 31 31.566 9.673 9.010 1.00 0.00 C ATOM 492 C GLU A 31 31.916 11.043 9.555 1.00 0.00 C ATOM 493 O GLU A 31 33.001 11.531 9.337 1.00 0.00 O ATOM 494 CB GLU A 31 30.411 9.802 8.026 1.00 0.00 C ATOM 495 CG GLU A 31 30.713 10.716 6.851 1.00 0.00 C ATOM 496 CD GLU A 31 29.491 11.011 6.027 1.00 0.00 C ATOM 497 OE1 GLU A 31 28.993 12.157 6.077 1.00 0.00 O ATOM 498 OE2 GLU A 31 28.999 10.094 5.334 1.00 0.00 O ATOM 0 H GLU A 31 30.283 8.379 10.036 1.00 0.00 H new ATOM 0 HA GLU A 31 32.433 9.264 8.491 1.00 0.00 H new ATOM 0 HB2 GLU A 31 30.154 8.812 7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 31 29.535 10.180 8.554 1.00 0.00 H new ATOM 0 HG2 GLU A 31 31.134 11.651 7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 31 31.471 10.253 6.219 1.00 0.00 H new ATOM 505 N ARG A 32 30.983 11.641 10.286 1.00 0.00 N ATOM 506 CA ARG A 32 31.149 12.987 10.837 1.00 0.00 C ATOM 507 C ARG A 32 32.475 13.158 11.592 1.00 0.00 C ATOM 508 O ARG A 32 33.077 14.235 11.559 1.00 0.00 O ATOM 509 CB ARG A 32 29.958 13.331 11.738 1.00 0.00 C ATOM 510 CG ARG A 32 30.048 14.688 12.417 1.00 0.00 C ATOM 511 CD ARG A 32 28.693 15.121 12.946 1.00 0.00 C ATOM 512 NE ARG A 32 27.733 15.344 11.856 1.00 0.00 N ATOM 513 CZ ARG A 32 26.408 15.207 11.968 1.00 0.00 C ATOM 514 NH1 ARG A 32 25.867 14.836 13.125 1.00 0.00 N ATOM 515 NH2 ARG A 32 25.627 15.443 10.917 1.00 0.00 N ATOM 0 H ARG A 32 30.088 11.209 10.516 1.00 0.00 H new ATOM 0 HA ARG A 32 31.181 13.683 9.999 1.00 0.00 H new ATOM 0 HB2 ARG A 32 29.047 13.298 11.141 1.00 0.00 H new ATOM 0 HB3 ARG A 32 29.865 12.562 12.504 1.00 0.00 H new ATOM 0 HG2 ARG A 32 30.765 14.642 13.237 1.00 0.00 H new ATOM 0 HG3 ARG A 32 30.420 15.429 11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 32 28.306 14.359 13.623 1.00 0.00 H new ATOM 0 HD3 ARG A 32 28.804 16.037 13.527 1.00 0.00 H new ATOM 0 HE ARG A 32 28.105 15.624 10.948 1.00 0.00 H new ATOM 0 HH11 ARG A 32 26.464 14.655 13.932 1.00 0.00 H new ATOM 0 HH12 ARG A 32 24.855 14.733 13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 32 26.040 15.728 10.029 1.00 0.00 H new ATOM 0 HH22 ARG A 32 24.616 15.339 11.000 1.00 0.00 H new ATOM 529 N HIS A 33 32.932 12.105 12.248 1.00 0.00 N ATOM 530 CA HIS A 33 34.177 12.173 13.002 1.00 0.00 C ATOM 531 C HIS A 33 35.403 11.987 12.099 1.00 0.00 C ATOM 532 O HIS A 33 36.326 12.795 12.126 1.00 0.00 O ATOM 533 CB HIS A 33 34.188 11.131 14.127 1.00 0.00 C ATOM 534 CG HIS A 33 35.441 11.152 14.960 1.00 0.00 C ATOM 535 ND1 HIS A 33 36.361 10.128 14.965 1.00 0.00 N ATOM 536 CD2 HIS A 33 35.922 12.085 15.818 1.00 0.00 C ATOM 537 CE1 HIS A 33 37.350 10.424 15.781 1.00 0.00 C ATOM 538 NE2 HIS A 33 37.111 11.606 16.313 1.00 0.00 N ATOM 0 H HIS A 33 32.466 11.198 12.276 1.00 0.00 H new ATOM 0 HA HIS A 33 34.233 13.170 13.440 1.00 0.00 H new ATOM 0 HB2 HIS A 33 33.329 11.301 14.776 1.00 0.00 H new ATOM 0 HB3 HIS A 33 34.068 10.139 13.692 1.00 0.00 H new ATOM 0 HD2 HIS A 33 35.458 13.028 16.066 1.00 0.00 H new ATOM 0 HE1 HIS A 33 38.211 9.804 15.981 1.00 0.00 H new ATOM 0 HE2 HIS A 33 37.711 12.087 16.983 1.00 0.00 H new ATOM 546 N ASP A 34 35.399 10.935 11.297 1.00 0.00 N ATOM 547 CA ASP A 34 36.564 10.613 10.449 1.00 0.00 C ATOM 548 C ASP A 34 36.609 11.476 9.184 1.00 0.00 C ATOM 549 O ASP A 34 37.623 11.530 8.500 1.00 0.00 O ATOM 550 CB ASP A 34 36.582 9.116 10.089 1.00 0.00 C ATOM 551 CG ASP A 34 37.826 8.704 9.319 1.00 0.00 C ATOM 552 OD1 ASP A 34 38.944 9.001 9.785 1.00 0.00 O ATOM 553 OD2 ASP A 34 37.684 8.058 8.259 1.00 0.00 O ATOM 0 H ASP A 34 34.616 10.287 11.206 1.00 0.00 H new ATOM 0 HA ASP A 34 37.458 10.841 11.029 1.00 0.00 H new ATOM 0 HB2 ASP A 34 36.517 8.527 11.004 1.00 0.00 H new ATOM 0 HB3 ASP A 34 35.699 8.880 9.495 1.00 0.00 H new ATOM 558 N HIS A 35 35.513 12.171 8.904 1.00 0.00 N ATOM 559 CA HIS A 35 35.398 13.047 7.705 1.00 0.00 C ATOM 560 C HIS A 35 36.502 14.105 7.688 1.00 0.00 C ATOM 561 O HIS A 35 36.835 14.653 6.635 1.00 0.00 O ATOM 562 CB HIS A 35 34.009 13.730 7.658 1.00 0.00 C ATOM 563 CG HIS A 35 33.696 14.451 6.375 1.00 0.00 C ATOM 564 ND1 HIS A 35 33.104 13.835 5.293 1.00 0.00 N ATOM 565 CD2 HIS A 35 33.863 15.747 6.017 1.00 0.00 C ATOM 566 CE1 HIS A 35 32.921 14.720 4.330 1.00 0.00 C ATOM 567 NE2 HIS A 35 33.370 15.882 4.744 1.00 0.00 N ATOM 0 H HIS A 35 34.675 12.156 9.486 1.00 0.00 H new ATOM 0 HA HIS A 35 35.511 12.417 6.822 1.00 0.00 H new ATOM 0 HB2 HIS A 35 33.243 12.973 7.828 1.00 0.00 H new ATOM 0 HB3 HIS A 35 33.943 14.441 8.482 1.00 0.00 H new ATOM 0 HD2 HIS A 35 34.302 16.528 6.621 1.00 0.00 H new ATOM 0 HE1 HIS A 35 32.477 14.521 3.366 1.00 0.00 H new ATOM 0 HE2 HIS A 35 33.355 16.748 4.205 1.00 0.00 H new ATOM 575 N ASP A 36 37.064 14.382 8.859 1.00 0.00 N ATOM 576 CA ASP A 36 38.149 15.356 8.987 1.00 0.00 C ATOM 577 C ASP A 36 39.432 14.837 8.348 1.00 0.00 C ATOM 578 O ASP A 36 40.365 15.603 8.100 1.00 0.00 O ATOM 579 CB ASP A 36 38.410 15.712 10.460 1.00 0.00 C ATOM 580 CG ASP A 36 37.279 16.498 11.084 1.00 0.00 C ATOM 581 OD1 ASP A 36 37.218 17.730 10.874 1.00 0.00 O ATOM 582 OD2 ASP A 36 36.450 15.904 11.791 1.00 0.00 O ATOM 0 H ASP A 36 36.787 13.946 9.738 1.00 0.00 H new ATOM 0 HA ASP A 36 37.835 16.258 8.462 1.00 0.00 H new ATOM 0 HB2 ASP A 36 38.565 14.795 11.028 1.00 0.00 H new ATOM 0 HB3 ASP A 36 39.331 16.291 10.531 1.00 0.00 H new ATOM 587 N LYS A 37 39.467 13.545 8.070 1.00 0.00 N ATOM 588 CA LYS A 37 40.630 12.923 7.470 1.00 0.00 C ATOM 589 C LYS A 37 40.229 12.172 6.209 1.00 0.00 C ATOM 590 O LYS A 37 40.854 12.318 5.162 1.00 0.00 O ATOM 591 CB LYS A 37 41.310 11.976 8.472 1.00 0.00 C ATOM 592 CG LYS A 37 42.586 11.335 7.950 1.00 0.00 C ATOM 593 CD LYS A 37 43.188 10.385 8.975 1.00 0.00 C ATOM 594 CE LYS A 37 44.490 9.774 8.477 1.00 0.00 C ATOM 595 NZ LYS A 37 45.550 10.797 8.279 1.00 0.00 N ATOM 0 H LYS A 37 38.695 12.904 8.253 1.00 0.00 H new ATOM 0 HA LYS A 37 41.344 13.701 7.199 1.00 0.00 H new ATOM 0 HB2 LYS A 37 41.540 12.531 9.382 1.00 0.00 H new ATOM 0 HB3 LYS A 37 40.607 11.190 8.747 1.00 0.00 H new ATOM 0 HG2 LYS A 37 42.372 10.792 7.029 1.00 0.00 H new ATOM 0 HG3 LYS A 37 43.310 12.111 7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 37 43.370 10.922 9.906 1.00 0.00 H new ATOM 0 HD3 LYS A 37 42.475 9.591 9.199 1.00 0.00 H new ATOM 0 HE2 LYS A 37 44.836 9.028 9.192 1.00 0.00 H new ATOM 0 HE3 LYS A 37 44.309 9.254 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 46.466 10.325 8.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 45.325 11.372 7.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 45.601 11.410 9.117 1.00 0.00 H new ATOM 609 N LYS A 38 39.181 11.376 6.315 1.00 0.00 N ATOM 610 CA LYS A 38 38.669 10.620 5.195 1.00 0.00 C ATOM 611 C LYS A 38 37.165 10.780 5.108 1.00 0.00 C ATOM 612 O LYS A 38 36.435 10.362 5.995 1.00 0.00 O ATOM 613 CB LYS A 38 39.045 9.141 5.317 1.00 0.00 C ATOM 614 CG LYS A 38 40.538 8.888 5.241 1.00 0.00 C ATOM 615 CD LYS A 38 40.863 7.411 5.298 1.00 0.00 C ATOM 616 CE LYS A 38 42.349 7.172 5.101 1.00 0.00 C ATOM 617 NZ LYS A 38 42.799 7.602 3.753 1.00 0.00 N ATOM 0 H LYS A 38 38.663 11.238 7.183 1.00 0.00 H new ATOM 0 HA LYS A 38 39.119 11.007 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.667 8.755 6.264 1.00 0.00 H new ATOM 0 HB3 LYS A 38 38.549 8.582 4.524 1.00 0.00 H new ATOM 0 HG2 LYS A 38 40.931 9.311 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 38 41.036 9.401 6.064 1.00 0.00 H new ATOM 0 HD2 LYS A 38 40.550 7.003 6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 38 40.301 6.882 4.529 1.00 0.00 H new ATOM 0 HE2 LYS A 38 42.909 7.715 5.862 1.00 0.00 H new ATOM 0 HE3 LYS A 38 42.569 6.113 5.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 43.766 7.258 3.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 42.160 7.209 3.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.787 8.640 3.698 1.00 0.00 H new ATOM 631 N GLU A 39 36.716 11.419 4.057 1.00 0.00 N ATOM 632 CA GLU A 39 35.293 11.649 3.842 1.00 0.00 C ATOM 633 C GLU A 39 34.477 10.336 3.829 1.00 0.00 C ATOM 634 O GLU A 39 33.503 10.197 4.575 1.00 0.00 O ATOM 635 CB GLU A 39 35.042 12.468 2.551 1.00 0.00 C ATOM 636 CG GLU A 39 35.466 11.782 1.253 1.00 0.00 C ATOM 637 CD GLU A 39 35.120 12.591 0.032 1.00 0.00 C ATOM 638 OE1 GLU A 39 35.981 13.351 -0.445 1.00 0.00 O ATOM 639 OE2 GLU A 39 33.982 12.467 -0.465 1.00 0.00 O ATOM 0 H GLU A 39 37.316 11.797 3.324 1.00 0.00 H new ATOM 0 HA GLU A 39 34.942 12.235 4.692 1.00 0.00 H new ATOM 0 HB2 GLU A 39 33.979 12.702 2.489 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.573 13.416 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 39 36.541 11.605 1.274 1.00 0.00 H new ATOM 0 HG3 GLU A 39 34.983 10.807 1.187 1.00 0.00 H new ATOM 646 N ALA A 40 34.896 9.368 3.017 1.00 0.00 N ATOM 647 CA ALA A 40 34.139 8.127 2.881 1.00 0.00 C ATOM 648 C ALA A 40 35.040 6.928 2.575 1.00 0.00 C ATOM 649 O ALA A 40 34.597 5.959 1.955 1.00 0.00 O ATOM 650 CB ALA A 40 33.088 8.284 1.789 1.00 0.00 C ATOM 0 H ALA A 40 35.743 9.417 2.451 1.00 0.00 H new ATOM 0 HA ALA A 40 33.654 7.930 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 40 32.525 7.356 1.690 1.00 0.00 H new ATOM 0 HB2 ALA A 40 32.408 9.095 2.052 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.578 8.514 0.843 1.00 0.00 H new ATOM 656 N GLU A 41 36.276 6.969 3.041 1.00 0.00 N ATOM 657 CA GLU A 41 37.191 5.884 2.807 1.00 0.00 C ATOM 658 C GLU A 41 37.433 5.131 4.089 1.00 0.00 C ATOM 659 O GLU A 41 38.458 5.285 4.751 1.00 0.00 O ATOM 660 CB GLU A 41 38.517 6.341 2.187 1.00 0.00 C ATOM 661 CG GLU A 41 39.437 5.174 1.837 1.00 0.00 C ATOM 662 CD GLU A 41 40.772 5.604 1.292 1.00 0.00 C ATOM 663 OE1 GLU A 41 40.939 5.614 0.054 1.00 0.00 O ATOM 664 OE2 GLU A 41 41.672 5.907 2.088 1.00 0.00 O ATOM 0 H GLU A 41 36.661 7.743 3.582 1.00 0.00 H new ATOM 0 HA GLU A 41 36.725 5.222 2.077 1.00 0.00 H new ATOM 0 HB2 GLU A 41 38.312 6.919 1.286 1.00 0.00 H new ATOM 0 HB3 GLU A 41 39.029 7.006 2.883 1.00 0.00 H new ATOM 0 HG2 GLU A 41 39.596 4.567 2.728 1.00 0.00 H new ATOM 0 HG3 GLU A 41 38.941 4.539 1.103 1.00 0.00 H new ATOM 671 N ARG A 42 36.458 4.368 4.451 1.00 0.00 N ATOM 672 CA ARG A 42 36.522 3.532 5.570 1.00 0.00 C ATOM 673 C ARG A 42 36.074 2.175 5.153 1.00 0.00 C ATOM 674 O ARG A 42 34.978 1.979 4.622 1.00 0.00 O ATOM 675 CB ARG A 42 35.665 4.065 6.719 1.00 0.00 C ATOM 676 CG ARG A 42 36.315 5.210 7.475 1.00 0.00 C ATOM 677 CD ARG A 42 35.360 5.836 8.477 1.00 0.00 C ATOM 678 NE ARG A 42 34.184 6.410 7.819 1.00 0.00 N ATOM 679 CZ ARG A 42 34.196 7.574 7.159 1.00 0.00 C ATOM 680 NH1 ARG A 42 35.307 8.290 7.105 1.00 0.00 N ATOM 681 NH2 ARG A 42 33.092 8.022 6.562 1.00 0.00 N ATOM 0 H ARG A 42 35.571 4.318 3.950 1.00 0.00 H new ATOM 0 HA ARG A 42 37.546 3.493 5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 42 34.706 4.399 6.323 1.00 0.00 H new ATOM 0 HB3 ARG A 42 35.457 3.252 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 42 37.201 4.846 7.995 1.00 0.00 H new ATOM 0 HG3 ARG A 42 36.650 5.969 6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.042 5.082 9.197 1.00 0.00 H new ATOM 0 HD3 ARG A 42 35.879 6.613 9.038 1.00 0.00 H new ATOM 0 HE ARG A 42 33.306 5.893 7.867 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.153 7.955 7.566 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.318 9.177 6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.231 7.477 6.607 1.00 0.00 H new ATOM 0 HH22 ARG A 42 33.108 8.910 6.061 1.00 0.00 H new ATOM 695 N LYS A 43 36.917 1.272 5.411 1.00 0.00 N ATOM 696 CA LYS A 43 36.746 -0.128 5.070 1.00 0.00 C ATOM 697 C LYS A 43 35.652 -0.774 5.906 1.00 0.00 C ATOM 698 O LYS A 43 35.174 -1.851 5.581 1.00 0.00 O ATOM 699 CB LYS A 43 38.064 -0.858 5.287 1.00 0.00 C ATOM 700 CG LYS A 43 39.253 -0.168 4.639 1.00 0.00 C ATOM 701 CD LYS A 43 40.562 -0.692 5.192 1.00 0.00 C ATOM 702 CE LYS A 43 41.744 0.100 4.664 1.00 0.00 C ATOM 703 NZ LYS A 43 43.019 -0.351 5.272 1.00 0.00 N ATOM 0 H LYS A 43 37.798 1.464 5.888 1.00 0.00 H new ATOM 0 HA LYS A 43 36.448 -0.196 4.024 1.00 0.00 H new ATOM 0 HB2 LYS A 43 38.247 -0.951 6.358 1.00 0.00 H new ATOM 0 HB3 LYS A 43 37.980 -1.869 4.889 1.00 0.00 H new ATOM 0 HG2 LYS A 43 39.223 -0.324 3.561 1.00 0.00 H new ATOM 0 HG3 LYS A 43 39.189 0.907 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 43 40.545 -0.641 6.281 1.00 0.00 H new ATOM 0 HD3 LYS A 43 40.677 -1.742 4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 43 41.799 -0.007 3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 43 41.595 1.159 4.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 43.805 0.212 4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 42.975 -0.226 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 43.173 -1.356 5.051 1.00 0.00 H new ATOM 717 N ALA A 44 35.240 -0.094 6.962 1.00 0.00 N ATOM 718 CA ALA A 44 34.215 -0.625 7.855 1.00 0.00 C ATOM 719 C ALA A 44 32.881 -0.756 7.129 1.00 0.00 C ATOM 720 O ALA A 44 32.182 -1.754 7.272 1.00 0.00 O ATOM 721 CB ALA A 44 34.065 0.243 9.102 1.00 0.00 C ATOM 0 H ALA A 44 35.596 0.825 7.225 1.00 0.00 H new ATOM 0 HA ALA A 44 34.533 -1.618 8.173 1.00 0.00 H new ATOM 0 HB1 ALA A 44 33.294 -0.178 9.748 1.00 0.00 H new ATOM 0 HB2 ALA A 44 35.012 0.274 9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 44 33.781 1.254 8.810 1.00 0.00 H new ATOM 727 N LEU A 45 32.547 0.246 6.325 1.00 0.00 N ATOM 728 CA LEU A 45 31.289 0.245 5.585 1.00 0.00 C ATOM 729 C LEU A 45 31.460 -0.412 4.220 1.00 0.00 C ATOM 730 O LEU A 45 30.491 -0.856 3.607 1.00 0.00 O ATOM 731 CB LEU A 45 30.771 1.675 5.414 1.00 0.00 C ATOM 732 CG LEU A 45 30.523 2.449 6.710 1.00 0.00 C ATOM 733 CD1 LEU A 45 30.026 3.853 6.407 1.00 0.00 C ATOM 734 CD2 LEU A 45 29.533 1.709 7.597 1.00 0.00 C ATOM 0 H LEU A 45 33.128 1.069 6.168 1.00 0.00 H new ATOM 0 HA LEU A 45 30.562 -0.332 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 45 31.488 2.232 4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 45 29.839 1.639 4.849 1.00 0.00 H new ATOM 0 HG LEU A 45 31.468 2.529 7.247 1.00 0.00 H new ATOM 0 HD11 LEU A 45 29.855 4.388 7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 45 30.773 4.384 5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 45 29.093 3.796 5.846 1.00 0.00 H new ATOM 0 HD21 LEU A 45 29.371 2.276 8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 45 28.586 1.594 7.069 1.00 0.00 H new ATOM 0 HD23 LEU A 45 29.932 0.725 7.845 1.00 0.00 H new ATOM 746 N GLU A 46 32.695 -0.461 3.747 1.00 0.00 N ATOM 747 CA GLU A 46 32.992 -1.069 2.450 1.00 0.00 C ATOM 748 C GLU A 46 33.016 -2.592 2.563 1.00 0.00 C ATOM 749 O GLU A 46 32.559 -3.306 1.667 1.00 0.00 O ATOM 750 CB GLU A 46 34.337 -0.563 1.909 1.00 0.00 C ATOM 751 CG GLU A 46 34.700 -1.121 0.545 1.00 0.00 C ATOM 752 CD GLU A 46 36.080 -0.706 0.104 1.00 0.00 C ATOM 753 OE1 GLU A 46 36.196 0.282 -0.645 1.00 0.00 O ATOM 754 OE2 GLU A 46 37.061 -1.367 0.505 1.00 0.00 O ATOM 0 H GLU A 46 33.509 -0.090 4.236 1.00 0.00 H new ATOM 0 HA GLU A 46 32.204 -0.781 1.754 1.00 0.00 H new ATOM 0 HB2 GLU A 46 34.307 0.525 1.850 1.00 0.00 H new ATOM 0 HB3 GLU A 46 35.123 -0.822 2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 46 34.642 -2.209 0.573 1.00 0.00 H new ATOM 0 HG3 GLU A 46 33.969 -0.782 -0.190 1.00 0.00 H new ATOM 761 N ASP A 47 33.534 -3.080 3.673 1.00 0.00 N ATOM 762 CA ASP A 47 33.639 -4.518 3.898 1.00 0.00 C ATOM 763 C ASP A 47 32.331 -5.072 4.423 1.00 0.00 C ATOM 764 O ASP A 47 31.977 -6.220 4.152 1.00 0.00 O ATOM 765 CB ASP A 47 34.775 -4.843 4.880 1.00 0.00 C ATOM 766 CG ASP A 47 34.898 -6.324 5.153 1.00 0.00 C ATOM 767 OD1 ASP A 47 35.516 -7.032 4.328 1.00 0.00 O ATOM 768 OD2 ASP A 47 34.389 -6.787 6.190 1.00 0.00 O ATOM 0 H ASP A 47 33.890 -2.506 4.437 1.00 0.00 H new ATOM 0 HA ASP A 47 33.865 -4.988 2.941 1.00 0.00 H new ATOM 0 HB2 ASP A 47 35.717 -4.472 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 47 34.601 -4.317 5.819 1.00 0.00 H new ATOM 773 N LYS A 48 31.598 -4.238 5.126 1.00 0.00 N ATOM 774 CA LYS A 48 30.346 -4.639 5.719 1.00 0.00 C ATOM 775 C LYS A 48 29.186 -3.801 5.121 1.00 0.00 C ATOM 776 O LYS A 48 28.895 -2.716 5.618 1.00 0.00 O ATOM 777 CB LYS A 48 30.416 -4.446 7.238 1.00 0.00 C ATOM 778 CG LYS A 48 29.193 -4.947 7.981 1.00 0.00 C ATOM 779 CD LYS A 48 29.414 -4.935 9.483 1.00 0.00 C ATOM 780 CE LYS A 48 30.441 -5.978 9.904 1.00 0.00 C ATOM 781 NZ LYS A 48 30.007 -7.357 9.558 1.00 0.00 N ATOM 0 H LYS A 48 31.853 -3.266 5.301 1.00 0.00 H new ATOM 0 HA LYS A 48 30.161 -5.691 5.503 1.00 0.00 H new ATOM 0 HB2 LYS A 48 31.297 -4.963 7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 48 30.550 -3.386 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.334 -4.323 7.733 1.00 0.00 H new ATOM 0 HG3 LYS A 48 28.957 -5.960 7.655 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.750 -3.946 9.795 1.00 0.00 H new ATOM 0 HD3 LYS A 48 28.470 -5.126 9.992 1.00 0.00 H new ATOM 0 HE2 LYS A 48 31.394 -5.765 9.419 1.00 0.00 H new ATOM 0 HE3 LYS A 48 30.608 -5.909 10.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 30.133 -7.978 10.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 29.004 -7.347 9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 30.580 -7.713 8.766 1.00 0.00 H new ATOM 795 N LEU A 49 28.557 -4.290 4.025 1.00 0.00 N ATOM 796 CA LEU A 49 27.478 -3.542 3.360 1.00 0.00 C ATOM 797 C LEU A 49 26.274 -3.340 4.291 1.00 0.00 C ATOM 798 O LEU A 49 25.727 -2.243 4.366 1.00 0.00 O ATOM 799 CB LEU A 49 27.050 -4.252 2.035 1.00 0.00 C ATOM 800 CG LEU A 49 26.179 -3.441 1.040 1.00 0.00 C ATOM 801 CD1 LEU A 49 24.739 -3.311 1.522 1.00 0.00 C ATOM 802 CD2 LEU A 49 26.786 -2.066 0.785 1.00 0.00 C ATOM 0 H LEU A 49 28.778 -5.187 3.592 1.00 0.00 H new ATOM 0 HA LEU A 49 27.864 -2.554 3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 49 27.954 -4.565 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 49 26.505 -5.158 2.299 1.00 0.00 H new ATOM 0 HG LEU A 49 26.161 -3.993 0.100 1.00 0.00 H new ATOM 0 HD11 LEU A 49 24.163 -2.736 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 49 24.300 -4.303 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 49 24.722 -2.801 2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 49 26.158 -1.515 0.084 1.00 0.00 H new ATOM 0 HD22 LEU A 49 26.850 -1.517 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 49 27.785 -2.182 0.364 1.00 0.00 H new ATOM 814 N ALA A 50 25.869 -4.397 4.997 1.00 0.00 N ATOM 815 CA ALA A 50 24.713 -4.308 5.891 1.00 0.00 C ATOM 816 C ALA A 50 25.003 -3.394 7.073 1.00 0.00 C ATOM 817 O ALA A 50 24.348 -2.369 7.239 1.00 0.00 O ATOM 818 CB ALA A 50 24.284 -5.686 6.371 1.00 0.00 C ATOM 0 H ALA A 50 26.317 -5.313 4.969 1.00 0.00 H new ATOM 0 HA ALA A 50 23.889 -3.876 5.323 1.00 0.00 H new ATOM 0 HB1 ALA A 50 23.424 -5.589 7.033 1.00 0.00 H new ATOM 0 HB2 ALA A 50 24.014 -6.302 5.513 1.00 0.00 H new ATOM 0 HB3 ALA A 50 25.106 -6.156 6.911 1.00 0.00 H new ATOM 824 N ASP A 51 25.980 -3.786 7.897 1.00 0.00 N ATOM 825 CA ASP A 51 26.422 -2.991 9.059 1.00 0.00 C ATOM 826 C ASP A 51 25.280 -2.719 10.030 1.00 0.00 C ATOM 827 O ASP A 51 24.572 -1.712 9.922 1.00 0.00 O ATOM 828 CB ASP A 51 27.093 -1.673 8.625 1.00 0.00 C ATOM 829 CG ASP A 51 27.526 -0.817 9.804 1.00 0.00 C ATOM 830 OD1 ASP A 51 28.419 -1.245 10.561 1.00 0.00 O ATOM 831 OD2 ASP A 51 26.979 0.293 9.981 1.00 0.00 O ATOM 0 H ASP A 51 26.490 -4.662 7.782 1.00 0.00 H new ATOM 0 HA ASP A 51 27.166 -3.591 9.582 1.00 0.00 H new ATOM 0 HB2 ASP A 51 27.962 -1.899 8.007 1.00 0.00 H new ATOM 0 HB3 ASP A 51 26.400 -1.105 8.004 1.00 0.00 H new ATOM 836 N TYR A 52 25.097 -3.626 10.970 1.00 0.00 N ATOM 837 CA TYR A 52 24.050 -3.505 11.965 1.00 0.00 C ATOM 838 C TYR A 52 24.320 -4.463 13.113 1.00 0.00 C ATOM 839 O TYR A 52 24.041 -5.668 12.959 1.00 0.00 O ATOM 840 CB TYR A 52 22.669 -3.775 11.342 1.00 0.00 C ATOM 841 CG TYR A 52 21.520 -3.661 12.322 1.00 0.00 C ATOM 842 CD1 TYR A 52 21.203 -2.444 12.914 1.00 0.00 C ATOM 843 CD2 TYR A 52 20.750 -4.770 12.650 1.00 0.00 C ATOM 844 CE1 TYR A 52 20.155 -2.340 13.808 1.00 0.00 C ATOM 845 CE2 TYR A 52 19.701 -4.672 13.541 1.00 0.00 C ATOM 846 CZ TYR A 52 19.408 -3.456 14.118 1.00 0.00 C ATOM 847 OH TYR A 52 18.362 -3.358 15.006 1.00 0.00 O ATOM 848 OXT TYR A 52 24.832 -4.012 14.156 1.00 0.00 O ATOM 0 H TYR A 52 25.669 -4.465 11.065 1.00 0.00 H new ATOM 0 HA TYR A 52 24.047 -2.485 12.350 1.00 0.00 H new ATOM 0 HB2 TYR A 52 22.507 -3.073 10.524 1.00 0.00 H new ATOM 0 HB3 TYR A 52 22.666 -4.775 10.909 1.00 0.00 H new ATOM 0 HD1 TYR A 52 21.785 -1.567 12.671 1.00 0.00 H new ATOM 0 HD2 TYR A 52 20.976 -5.725 12.200 1.00 0.00 H new ATOM 0 HE1 TYR A 52 19.922 -1.388 14.262 1.00 0.00 H new ATOM 0 HE2 TYR A 52 19.113 -5.544 13.785 1.00 0.00 H new ATOM 0 HH TYR A 52 17.940 -4.236 15.112 1.00 0.00 H new TER 858 TYR A 52