USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 389 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 Single : A 1 TYR N :NH3+ -177:sc= -0.162 (180deg=-0.234) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 0:sc= 0.291! USER MOD Single : A 7 GLN : amide:sc= -0.085 K(o=-0.085,f=-2!) USER MOD Single : A 8 ASN : amide:sc= -0.295 K(o=-0.3,f=-1.9!) USER MOD Single : A 9 ASN : amide:sc= -5.02! K(o=-5!,f=-1.7) USER MOD Single : A 13 SER OG : rot 180:sc= -0.234 USER MOD Single : A 23 HIS : no HD1:sc= -0.0689 X(o=-0.069,f=-0.35) USER MOD Single : A 24 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.085) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0825 USER MOD Single : A 40 THR OG1 : rot 127:sc= 0.367 USER MOD Single : A 46 LYS NZ :NH3+ -162:sc= -0.0179 (180deg=-0.605) USER MOD Single : A 47 HIS : no HD1:sc= -0.0205 X(o=-0.021,f=-0.41) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 25.392 0.415 -7.341 1.00 6.08 N ATOM 2 CA TYR A 1 24.509 -0.755 -7.614 1.00 6.96 C ATOM 3 C TYR A 1 23.562 -0.966 -6.429 1.00 6.40 C ATOM 4 O TYR A 1 22.655 -1.773 -6.489 1.00 6.98 O ATOM 5 CB TYR A 1 25.341 -2.021 -7.828 1.00 8.06 C ATOM 6 CG TYR A 1 24.434 -3.248 -7.719 1.00 9.00 C ATOM 7 CD1 TYR A 1 23.467 -3.492 -8.672 1.00 9.67 C ATOM 8 CD2 TYR A 1 24.571 -4.130 -6.665 1.00 9.60 C ATOM 9 CE1 TYR A 1 22.648 -4.599 -8.573 1.00 10.79 C ATOM 10 CE2 TYR A 1 23.753 -5.237 -6.567 1.00 10.78 C ATOM 11 CZ TYR A 1 22.785 -5.480 -7.520 1.00 11.34 C ATOM 12 OH TYR A 1 21.967 -6.587 -7.422 1.00 12.70 O ATOM 0 H1 TYR A 1 26.001 0.591 -8.166 1.00 6.08 H new ATOM 0 H2 TYR A 1 24.808 1.255 -7.157 1.00 6.08 H new ATOM 0 H3 TYR A 1 25.985 0.216 -6.510 1.00 6.08 H new ATOM 0 HA TYR A 1 23.935 -0.555 -8.519 1.00 6.96 H new ATOM 0 HB2 TYR A 1 25.819 -1.994 -8.807 1.00 8.06 H new ATOM 0 HB3 TYR A 1 26.137 -2.076 -7.086 1.00 8.06 H new ATOM 0 HD1 TYR A 1 23.350 -2.811 -9.502 1.00 9.67 H new ATOM 0 HD2 TYR A 1 25.324 -3.952 -5.912 1.00 9.60 H new ATOM 0 HE1 TYR A 1 21.894 -4.777 -9.326 1.00 10.79 H new ATOM 0 HE2 TYR A 1 23.871 -5.919 -5.738 1.00 10.78 H new ATOM 0 HH TYR A 1 22.203 -7.098 -6.620 1.00 12.70 H new ATOM 24 N ALA A 2 23.792 -0.229 -5.376 1.00 5.47 N ATOM 25 CA ALA A 2 22.918 -0.372 -4.174 1.00 5.18 C ATOM 26 C ALA A 2 22.688 0.996 -3.521 1.00 3.71 C ATOM 27 O ALA A 2 23.472 1.437 -2.704 1.00 3.46 O ATOM 28 CB ALA A 2 23.593 -1.307 -3.172 1.00 6.34 C ATOM 0 H ALA A 2 24.540 0.460 -5.295 1.00 5.47 H new ATOM 0 HA ALA A 2 21.956 -0.784 -4.478 1.00 5.18 H new ATOM 0 HB1 ALA A 2 22.959 -1.415 -2.292 1.00 6.34 H new ATOM 0 HB2 ALA A 2 23.746 -2.283 -3.632 1.00 6.34 H new ATOM 0 HB3 ALA A 2 24.556 -0.890 -2.877 1.00 6.34 H new ATOM 34 N SER A 3 21.615 1.637 -3.898 1.00 3.06 N ATOM 35 CA SER A 3 21.317 2.975 -3.308 1.00 1.70 C ATOM 36 C SER A 3 19.804 3.205 -3.263 1.00 1.94 C ATOM 37 O SER A 3 19.325 4.084 -2.576 1.00 1.55 O ATOM 38 CB SER A 3 21.974 4.058 -4.162 1.00 0.70 C ATOM 39 OG SER A 3 21.408 5.270 -3.683 1.00 1.14 O ATOM 0 H SER A 3 20.938 1.298 -4.581 1.00 3.06 H new ATOM 0 HA SER A 3 21.711 3.016 -2.292 1.00 1.70 H new ATOM 0 HB2 SER A 3 23.058 4.052 -4.048 1.00 0.70 H new ATOM 0 HB3 SER A 3 21.764 3.912 -5.222 1.00 0.70 H new ATOM 0 HG SER A 3 20.777 5.073 -2.960 1.00 1.14 H new ATOM 45 N LEU A 4 19.088 2.408 -4.000 1.00 2.94 N ATOM 46 CA LEU A 4 17.603 2.557 -4.017 1.00 3.53 C ATOM 47 C LEU A 4 16.934 1.193 -4.221 1.00 4.71 C ATOM 48 O LEU A 4 15.737 1.113 -4.421 1.00 5.32 O ATOM 49 CB LEU A 4 17.209 3.494 -5.158 1.00 3.63 C ATOM 50 CG LEU A 4 15.839 4.104 -4.855 1.00 4.95 C ATOM 51 CD1 LEU A 4 16.030 5.426 -4.107 1.00 4.95 C ATOM 52 CD2 LEU A 4 15.104 4.372 -6.170 1.00 5.78 C ATOM 0 H LEU A 4 19.460 1.663 -4.589 1.00 2.94 H new ATOM 0 HA LEU A 4 17.273 2.970 -3.064 1.00 3.53 H new ATOM 0 HB2 LEU A 4 17.954 4.281 -5.272 1.00 3.63 H new ATOM 0 HB3 LEU A 4 17.177 2.947 -6.100 1.00 3.63 H new ATOM 0 HG LEU A 4 15.258 3.415 -4.242 1.00 4.95 H new ATOM 0 HD11 LEU A 4 15.056 5.865 -3.889 1.00 4.95 H new ATOM 0 HD12 LEU A 4 16.563 5.242 -3.174 1.00 4.95 H new ATOM 0 HD13 LEU A 4 16.607 6.114 -4.725 1.00 4.95 H new ATOM 0 HD21 LEU A 4 14.127 4.807 -5.959 1.00 5.78 H new ATOM 0 HD22 LEU A 4 15.686 5.065 -6.777 1.00 5.78 H new ATOM 0 HD23 LEU A 4 14.975 3.435 -6.712 1.00 5.78 H new ATOM 64 N GLU A 5 17.725 0.149 -4.160 1.00 5.29 N ATOM 65 CA GLU A 5 17.164 -1.225 -4.346 1.00 6.78 C ATOM 66 C GLU A 5 17.235 -2.005 -3.030 1.00 7.31 C ATOM 67 O GLU A 5 17.065 -3.208 -3.008 1.00 8.41 O ATOM 68 CB GLU A 5 17.980 -1.955 -5.413 1.00 7.57 C ATOM 69 CG GLU A 5 17.125 -2.126 -6.670 1.00 8.44 C ATOM 70 CD GLU A 5 16.711 -0.749 -7.193 1.00 7.65 C ATOM 71 OE1 GLU A 5 17.593 -0.075 -7.700 1.00 7.26 O ATOM 72 OE2 GLU A 5 15.536 -0.449 -7.055 1.00 7.69 O ATOM 0 H GLU A 5 18.730 0.189 -3.990 1.00 5.29 H new ATOM 0 HA GLU A 5 16.122 -1.151 -4.658 1.00 6.78 H new ATOM 0 HB2 GLU A 5 18.883 -1.391 -5.647 1.00 7.57 H new ATOM 0 HB3 GLU A 5 18.300 -2.928 -5.041 1.00 7.57 H new ATOM 0 HG2 GLU A 5 17.686 -2.664 -7.434 1.00 8.44 H new ATOM 0 HG3 GLU A 5 16.241 -2.722 -6.444 1.00 8.44 H new ATOM 79 N GLU A 6 17.486 -1.300 -1.959 1.00 6.67 N ATOM 80 CA GLU A 6 17.573 -1.981 -0.634 1.00 7.44 C ATOM 81 C GLU A 6 16.955 -1.097 0.455 1.00 6.93 C ATOM 82 O GLU A 6 16.672 -1.556 1.543 1.00 7.63 O ATOM 83 CB GLU A 6 19.041 -2.245 -0.303 1.00 7.84 C ATOM 84 CG GLU A 6 19.647 -3.143 -1.383 1.00 8.53 C ATOM 85 CD GLU A 6 20.876 -3.856 -0.816 1.00 9.50 C ATOM 86 OE1 GLU A 6 21.587 -3.202 -0.073 1.00 9.27 O ATOM 87 OE2 GLU A 6 21.034 -5.017 -1.160 1.00 10.55 O ATOM 0 H GLU A 6 17.633 -0.291 -1.943 1.00 6.67 H new ATOM 0 HA GLU A 6 17.026 -2.923 -0.677 1.00 7.44 H new ATOM 0 HB2 GLU A 6 19.588 -1.304 -0.246 1.00 7.84 H new ATOM 0 HB3 GLU A 6 19.126 -2.722 0.673 1.00 7.84 H new ATOM 0 HG2 GLU A 6 18.911 -3.874 -1.720 1.00 8.53 H new ATOM 0 HG3 GLU A 6 19.926 -2.548 -2.252 1.00 8.53 H new ATOM 94 N GLN A 7 16.759 0.153 0.136 1.00 5.80 N ATOM 95 CA GLN A 7 16.161 1.081 1.141 1.00 5.38 C ATOM 96 C GLN A 7 14.795 0.555 1.597 1.00 5.68 C ATOM 97 O GLN A 7 13.786 0.823 0.977 1.00 5.10 O ATOM 98 CB GLN A 7 15.990 2.461 0.508 1.00 4.15 C ATOM 99 CG GLN A 7 15.817 3.503 1.615 1.00 3.73 C ATOM 100 CD GLN A 7 17.195 3.988 2.072 1.00 4.38 C ATOM 101 OE1 GLN A 7 17.971 3.245 2.640 1.00 5.61 O ATOM 102 NE2 GLN A 7 17.538 5.227 1.845 1.00 3.97 N ATOM 0 H GLN A 7 16.984 0.570 -0.767 1.00 5.80 H new ATOM 0 HA GLN A 7 16.821 1.148 2.006 1.00 5.38 H new ATOM 0 HB2 GLN A 7 16.858 2.704 -0.104 1.00 4.15 H new ATOM 0 HB3 GLN A 7 15.123 2.467 -0.152 1.00 4.15 H new ATOM 0 HG2 GLN A 7 15.225 4.343 1.251 1.00 3.73 H new ATOM 0 HG3 GLN A 7 15.274 3.071 2.455 1.00 3.73 H new ATOM 0 HE21 GLN A 7 16.892 5.856 1.369 1.00 3.97 H new ATOM 0 HE22 GLN A 7 18.452 5.566 2.144 1.00 3.97 H new ATOM 111 N ASN A 8 14.796 -0.184 2.672 1.00 6.72 N ATOM 112 CA ASN A 8 13.507 -0.737 3.183 1.00 7.11 C ATOM 113 C ASN A 8 12.761 0.324 3.998 1.00 6.31 C ATOM 114 O ASN A 8 11.746 0.044 4.605 1.00 6.75 O ATOM 115 CB ASN A 8 13.799 -1.948 4.068 1.00 8.69 C ATOM 116 CG ASN A 8 12.492 -2.691 4.353 1.00 9.52 C ATOM 117 OD1 ASN A 8 11.555 -2.643 3.580 1.00 9.28 O ATOM 118 ND2 ASN A 8 12.388 -3.391 5.450 1.00 10.72 N ATOM 0 H ASN A 8 15.624 -0.428 3.215 1.00 6.72 H new ATOM 0 HA ASN A 8 12.884 -1.034 2.339 1.00 7.11 H new ATOM 0 HB2 ASN A 8 14.508 -2.612 3.574 1.00 8.69 H new ATOM 0 HB3 ASN A 8 14.260 -1.628 5.002 1.00 8.69 H new ATOM 0 HD21 ASN A 8 11.524 -3.894 5.654 1.00 10.72 H new ATOM 0 HD22 ASN A 8 13.171 -3.435 6.103 1.00 10.72 H new ATOM 125 N ASN A 9 13.279 1.522 3.995 1.00 5.44 N ATOM 126 CA ASN A 9 12.611 2.612 4.765 1.00 5.04 C ATOM 127 C ASN A 9 11.423 3.168 3.975 1.00 3.89 C ATOM 128 O ASN A 9 11.152 4.351 4.010 1.00 3.35 O ATOM 129 CB ASN A 9 13.620 3.730 5.026 1.00 5.17 C ATOM 130 CG ASN A 9 12.960 4.818 5.875 1.00 5.28 C ATOM 131 OD1 ASN A 9 13.532 5.862 6.120 1.00 5.72 O ATOM 132 ND2 ASN A 9 11.759 4.616 6.343 1.00 5.32 N ATOM 0 H ASN A 9 14.128 1.793 3.498 1.00 5.44 H new ATOM 0 HA ASN A 9 12.246 2.212 5.711 1.00 5.04 H new ATOM 0 HB2 ASN A 9 14.496 3.333 5.540 1.00 5.17 H new ATOM 0 HB3 ASN A 9 13.967 4.150 4.082 1.00 5.17 H new ATOM 0 HD21 ASN A 9 11.306 5.332 6.911 1.00 5.32 H new ATOM 0 HD22 ASN A 9 11.273 3.742 6.141 1.00 5.32 H new ATOM 139 N ASP A 10 10.741 2.296 3.278 1.00 3.93 N ATOM 140 CA ASP A 10 9.565 2.749 2.475 1.00 2.87 C ATOM 141 C ASP A 10 8.261 2.396 3.199 1.00 3.38 C ATOM 142 O ASP A 10 8.135 1.332 3.772 1.00 4.46 O ATOM 143 CB ASP A 10 9.593 2.054 1.114 1.00 3.20 C ATOM 144 CG ASP A 10 8.579 2.721 0.183 1.00 2.45 C ATOM 145 OD1 ASP A 10 7.581 3.182 0.713 1.00 2.33 O ATOM 146 OD2 ASP A 10 8.859 2.732 -1.004 1.00 2.92 O ATOM 0 H ASP A 10 10.945 1.298 3.230 1.00 3.93 H new ATOM 0 HA ASP A 10 9.615 3.830 2.345 1.00 2.87 H new ATOM 0 HB2 ASP A 10 10.593 2.113 0.683 1.00 3.20 H new ATOM 0 HB3 ASP A 10 9.357 0.996 1.229 1.00 3.20 H new ATOM 151 N ALA A 11 7.318 3.298 3.158 1.00 2.89 N ATOM 152 CA ALA A 11 6.018 3.030 3.839 1.00 3.64 C ATOM 153 C ALA A 11 5.167 2.074 2.996 1.00 3.28 C ATOM 154 O ALA A 11 4.988 0.923 3.346 1.00 3.47 O ATOM 155 CB ALA A 11 5.270 4.349 4.026 1.00 4.00 C ATOM 0 H ALA A 11 7.389 4.200 2.688 1.00 2.89 H new ATOM 0 HA ALA A 11 6.208 2.570 4.809 1.00 3.64 H new ATOM 0 HB1 ALA A 11 4.319 4.160 4.523 1.00 4.00 H new ATOM 0 HB2 ALA A 11 5.870 5.025 4.635 1.00 4.00 H new ATOM 0 HB3 ALA A 11 5.087 4.804 3.053 1.00 4.00 H new ATOM 161 N LEU A 12 4.659 2.572 1.902 1.00 2.80 N ATOM 162 CA LEU A 12 3.817 1.707 1.023 1.00 2.42 C ATOM 163 C LEU A 12 4.710 0.842 0.124 1.00 2.10 C ATOM 164 O LEU A 12 5.851 1.178 -0.123 1.00 1.91 O ATOM 165 CB LEU A 12 2.929 2.597 0.156 1.00 2.21 C ATOM 166 CG LEU A 12 1.990 3.404 1.063 1.00 2.60 C ATOM 167 CD1 LEU A 12 1.601 4.702 0.352 1.00 2.45 C ATOM 168 CD2 LEU A 12 0.722 2.591 1.350 1.00 2.73 C ATOM 0 H LEU A 12 4.788 3.531 1.580 1.00 2.80 H new ATOM 0 HA LEU A 12 3.200 1.054 1.640 1.00 2.42 H new ATOM 0 HB2 LEU A 12 3.542 3.269 -0.444 1.00 2.21 H new ATOM 0 HB3 LEU A 12 2.350 1.988 -0.538 1.00 2.21 H new ATOM 0 HG LEU A 12 2.497 3.629 2.001 1.00 2.60 H new ATOM 0 HD11 LEU A 12 0.934 5.281 0.991 1.00 2.45 H new ATOM 0 HD12 LEU A 12 2.498 5.285 0.142 1.00 2.45 H new ATOM 0 HD13 LEU A 12 1.094 4.466 -0.584 1.00 2.45 H new ATOM 0 HD21 LEU A 12 0.058 3.168 1.994 1.00 2.73 H new ATOM 0 HD22 LEU A 12 0.213 2.367 0.412 1.00 2.73 H new ATOM 0 HD23 LEU A 12 0.992 1.660 1.848 1.00 2.73 H new ATOM 180 N SER A 13 4.169 -0.254 -0.348 1.00 2.11 N ATOM 181 CA SER A 13 4.981 -1.150 -1.228 1.00 1.84 C ATOM 182 C SER A 13 4.676 -0.857 -2.716 1.00 1.54 C ATOM 183 O SER A 13 3.680 -0.240 -3.034 1.00 1.40 O ATOM 184 CB SER A 13 4.632 -2.604 -0.912 1.00 1.92 C ATOM 185 OG SER A 13 5.831 -3.140 -0.374 1.00 2.47 O ATOM 0 H SER A 13 3.214 -0.564 -0.166 1.00 2.11 H new ATOM 0 HA SER A 13 6.041 -0.972 -1.046 1.00 1.84 H new ATOM 0 HB2 SER A 13 3.811 -2.671 -0.199 1.00 1.92 H new ATOM 0 HB3 SER A 13 4.321 -3.143 -1.807 1.00 1.92 H new ATOM 0 HG SER A 13 5.692 -4.081 -0.140 1.00 2.47 H new ATOM 191 N PRO A 14 5.553 -1.315 -3.604 1.00 1.54 N ATOM 192 CA PRO A 14 5.371 -1.104 -5.052 1.00 1.29 C ATOM 193 C PRO A 14 4.117 -1.830 -5.568 1.00 0.92 C ATOM 194 O PRO A 14 3.284 -1.244 -6.230 1.00 1.11 O ATOM 195 CB PRO A 14 6.619 -1.708 -5.704 1.00 1.36 C ATOM 196 CG PRO A 14 7.426 -2.427 -4.584 1.00 1.75 C ATOM 197 CD PRO A 14 6.778 -2.053 -3.240 1.00 1.84 C ATOM 0 HA PRO A 14 5.242 -0.047 -5.283 1.00 1.29 H new ATOM 0 HB2 PRO A 14 6.340 -2.412 -6.488 1.00 1.36 H new ATOM 0 HB3 PRO A 14 7.222 -0.930 -6.173 1.00 1.36 H new ATOM 0 HG2 PRO A 14 7.409 -3.507 -4.731 1.00 1.75 H new ATOM 0 HG3 PRO A 14 8.471 -2.119 -4.605 1.00 1.75 H new ATOM 0 HD2 PRO A 14 6.545 -2.941 -2.653 1.00 1.84 H new ATOM 0 HD3 PRO A 14 7.446 -1.438 -2.637 1.00 1.84 H new ATOM 205 N ALA A 15 4.020 -3.093 -5.255 1.00 0.77 N ATOM 206 CA ALA A 15 2.845 -3.887 -5.730 1.00 0.47 C ATOM 207 C ALA A 15 1.528 -3.161 -5.425 1.00 0.25 C ATOM 208 O ALA A 15 0.498 -3.494 -5.974 1.00 0.40 O ATOM 209 CB ALA A 15 2.848 -5.246 -5.033 1.00 0.80 C ATOM 0 H ALA A 15 4.698 -3.610 -4.694 1.00 0.77 H new ATOM 0 HA ALA A 15 2.923 -4.014 -6.810 1.00 0.47 H new ATOM 0 HB1 ALA A 15 1.994 -5.832 -5.374 1.00 0.80 H new ATOM 0 HB2 ALA A 15 3.770 -5.776 -5.272 1.00 0.80 H new ATOM 0 HB3 ALA A 15 2.782 -5.102 -3.955 1.00 0.80 H new ATOM 215 N ILE A 16 1.585 -2.186 -4.560 1.00 0.53 N ATOM 216 CA ILE A 16 0.332 -1.446 -4.216 1.00 0.37 C ATOM 217 C ILE A 16 -0.446 -1.100 -5.490 1.00 0.27 C ATOM 218 O ILE A 16 -1.636 -0.861 -5.447 1.00 0.32 O ATOM 219 CB ILE A 16 0.683 -0.159 -3.471 1.00 0.55 C ATOM 220 CG1 ILE A 16 -0.614 0.461 -2.920 1.00 0.31 C ATOM 221 CG2 ILE A 16 1.365 0.821 -4.438 1.00 0.81 C ATOM 222 CD1 ILE A 16 -0.273 1.666 -2.038 1.00 0.68 C ATOM 0 H ILE A 16 2.429 -1.871 -4.082 1.00 0.53 H new ATOM 0 HA ILE A 16 -0.287 -2.080 -3.581 1.00 0.37 H new ATOM 0 HB ILE A 16 1.364 -0.374 -2.648 1.00 0.55 H new ATOM 0 HG12 ILE A 16 -1.259 0.770 -3.742 1.00 0.31 H new ATOM 0 HG13 ILE A 16 -1.167 -0.280 -2.343 1.00 0.31 H new ATOM 0 HG21 ILE A 16 1.616 1.740 -3.908 1.00 0.81 H new ATOM 0 HG22 ILE A 16 2.275 0.369 -4.832 1.00 0.81 H new ATOM 0 HG23 ILE A 16 0.688 1.050 -5.261 1.00 0.81 H new ATOM 0 HD11 ILE A 16 -1.192 2.104 -1.649 1.00 0.68 H new ATOM 0 HD12 ILE A 16 0.355 1.343 -1.208 1.00 0.68 H new ATOM 0 HD13 ILE A 16 0.261 2.410 -2.629 1.00 0.68 H new ATOM 234 N ARG A 17 0.244 -1.081 -6.596 1.00 0.37 N ATOM 235 CA ARG A 17 -0.442 -0.753 -7.880 1.00 0.52 C ATOM 236 C ARG A 17 -1.055 -2.020 -8.487 1.00 0.51 C ATOM 237 O ARG A 17 -2.211 -2.035 -8.863 1.00 0.60 O ATOM 238 CB ARG A 17 0.575 -0.162 -8.855 1.00 0.73 C ATOM 239 CG ARG A 17 0.997 1.223 -8.361 1.00 0.87 C ATOM 240 CD ARG A 17 0.184 2.289 -9.099 1.00 1.10 C ATOM 241 NE ARG A 17 0.718 2.433 -10.483 1.00 0.70 N ATOM 242 CZ ARG A 17 -0.044 2.133 -11.499 1.00 1.44 C ATOM 243 NH1 ARG A 17 -1.130 2.828 -11.701 1.00 2.13 N ATOM 244 NH2 ARG A 17 0.305 1.147 -12.279 1.00 2.51 N ATOM 0 H ARG A 17 1.243 -1.276 -6.669 1.00 0.37 H new ATOM 0 HA ARG A 17 -1.236 -0.031 -7.690 1.00 0.52 H new ATOM 0 HB2 ARG A 17 1.445 -0.815 -8.932 1.00 0.73 H new ATOM 0 HB3 ARG A 17 0.141 -0.089 -9.852 1.00 0.73 H new ATOM 0 HG2 ARG A 17 0.835 1.304 -7.286 1.00 0.87 H new ATOM 0 HG3 ARG A 17 2.062 1.376 -8.535 1.00 0.87 H new ATOM 0 HD2 ARG A 17 -0.868 2.007 -9.129 1.00 1.10 H new ATOM 0 HD3 ARG A 17 0.244 3.241 -8.571 1.00 1.10 H new ATOM 0 HE ARG A 17 1.671 2.763 -10.635 1.00 0.70 H new ATOM 0 HH11 ARG A 17 -1.371 3.592 -11.070 1.00 2.13 H new ATOM 0 HH12 ARG A 17 -1.737 2.607 -12.490 1.00 2.13 H new ATOM 0 HH21 ARG A 17 1.161 0.625 -12.090 1.00 2.51 H new ATOM 0 HH22 ARG A 17 -0.278 0.898 -13.078 1.00 2.51 H new ATOM 258 N ARG A 18 -0.265 -3.056 -8.568 1.00 0.46 N ATOM 259 CA ARG A 18 -0.785 -4.330 -9.147 1.00 0.58 C ATOM 260 C ARG A 18 -1.475 -5.164 -8.061 1.00 0.57 C ATOM 261 O ARG A 18 -1.723 -6.339 -8.242 1.00 0.77 O ATOM 262 CB ARG A 18 0.381 -5.123 -9.734 1.00 0.75 C ATOM 263 CG ARG A 18 0.954 -4.361 -10.931 1.00 0.85 C ATOM 264 CD ARG A 18 0.251 -4.830 -12.207 1.00 1.76 C ATOM 265 NE ARG A 18 0.550 -6.273 -12.424 1.00 1.65 N ATOM 266 CZ ARG A 18 -0.255 -6.991 -13.159 1.00 2.98 C ATOM 267 NH1 ARG A 18 -1.281 -7.565 -12.593 1.00 3.84 N ATOM 268 NH2 ARG A 18 -0.006 -7.109 -14.434 1.00 3.80 N ATOM 0 H ARG A 18 0.708 -3.078 -8.262 1.00 0.46 H new ATOM 0 HA ARG A 18 -1.510 -4.100 -9.927 1.00 0.58 H new ATOM 0 HB2 ARG A 18 1.153 -5.271 -8.979 1.00 0.75 H new ATOM 0 HB3 ARG A 18 0.044 -6.112 -10.044 1.00 0.75 H new ATOM 0 HG2 ARG A 18 0.813 -3.289 -10.796 1.00 0.85 H new ATOM 0 HG3 ARG A 18 2.027 -4.534 -11.008 1.00 0.85 H new ATOM 0 HD2 ARG A 18 -0.825 -4.677 -12.122 1.00 1.76 H new ATOM 0 HD3 ARG A 18 0.590 -4.243 -13.061 1.00 1.76 H new ATOM 0 HE ARG A 18 1.376 -6.696 -12.002 1.00 1.65 H new ATOM 0 HH11 ARG A 18 -1.443 -7.449 -11.593 1.00 3.84 H new ATOM 0 HH12 ARG A 18 -1.921 -8.130 -13.151 1.00 3.84 H new ATOM 0 HH21 ARG A 18 0.806 -6.644 -14.840 1.00 3.80 H new ATOM 0 HH22 ARG A 18 -0.623 -7.666 -15.025 1.00 3.80 H new ATOM 282 N LEU A 19 -1.771 -4.536 -6.955 1.00 0.42 N ATOM 283 CA LEU A 19 -2.444 -5.280 -5.849 1.00 0.46 C ATOM 284 C LEU A 19 -3.947 -5.396 -6.126 1.00 0.49 C ATOM 285 O LEU A 19 -4.517 -6.465 -6.039 1.00 0.81 O ATOM 286 CB LEU A 19 -2.226 -4.533 -4.534 1.00 0.37 C ATOM 287 CG LEU A 19 -2.423 -5.502 -3.367 1.00 0.59 C ATOM 288 CD1 LEU A 19 -1.071 -6.102 -2.977 1.00 0.70 C ATOM 289 CD2 LEU A 19 -2.998 -4.740 -2.172 1.00 0.64 C ATOM 0 H LEU A 19 -1.579 -3.552 -6.769 1.00 0.42 H new ATOM 0 HA LEU A 19 -2.019 -6.281 -5.782 1.00 0.46 H new ATOM 0 HB2 LEU A 19 -1.222 -4.109 -4.505 1.00 0.37 H new ATOM 0 HB3 LEU A 19 -2.926 -3.701 -4.454 1.00 0.37 H new ATOM 0 HG LEU A 19 -3.108 -6.297 -3.661 1.00 0.59 H new ATOM 0 HD11 LEU A 19 -1.206 -6.794 -2.145 1.00 0.70 H new ATOM 0 HD12 LEU A 19 -0.651 -6.637 -3.829 1.00 0.70 H new ATOM 0 HD13 LEU A 19 -0.391 -5.304 -2.678 1.00 0.70 H new ATOM 0 HD21 LEU A 19 -3.140 -5.426 -1.337 1.00 0.64 H new ATOM 0 HD22 LEU A 19 -2.307 -3.949 -1.878 1.00 0.64 H new ATOM 0 HD23 LEU A 19 -3.957 -4.300 -2.448 1.00 0.64 H new ATOM 301 N LEU A 20 -4.556 -4.290 -6.456 1.00 0.18 N ATOM 302 CA LEU A 20 -6.021 -4.317 -6.741 1.00 0.18 C ATOM 303 C LEU A 20 -6.301 -5.128 -8.011 1.00 0.44 C ATOM 304 O LEU A 20 -7.433 -5.456 -8.304 1.00 0.79 O ATOM 305 CB LEU A 20 -6.518 -2.885 -6.932 1.00 0.21 C ATOM 306 CG LEU A 20 -6.735 -2.243 -5.560 1.00 0.65 C ATOM 307 CD1 LEU A 20 -6.464 -0.740 -5.660 1.00 0.93 C ATOM 308 CD2 LEU A 20 -8.184 -2.466 -5.123 1.00 0.82 C ATOM 0 H LEU A 20 -4.109 -3.377 -6.540 1.00 0.18 H new ATOM 0 HA LEU A 20 -6.540 -4.785 -5.904 1.00 0.18 H new ATOM 0 HB2 LEU A 20 -5.793 -2.309 -7.506 1.00 0.21 H new ATOM 0 HB3 LEU A 20 -7.448 -2.882 -7.500 1.00 0.21 H new ATOM 0 HG LEU A 20 -6.059 -2.691 -4.832 1.00 0.65 H new ATOM 0 HD11 LEU A 20 -6.617 -0.277 -4.685 1.00 0.93 H new ATOM 0 HD12 LEU A 20 -5.436 -0.576 -5.982 1.00 0.93 H new ATOM 0 HD13 LEU A 20 -7.146 -0.295 -6.384 1.00 0.93 H new ATOM 0 HD21 LEU A 20 -8.344 -2.010 -4.146 1.00 0.82 H new ATOM 0 HD22 LEU A 20 -8.857 -2.011 -5.850 1.00 0.82 H new ATOM 0 HD23 LEU A 20 -8.385 -3.536 -5.062 1.00 0.82 H new ATOM 320 N ALA A 21 -5.260 -5.437 -8.736 1.00 0.35 N ATOM 321 CA ALA A 21 -5.450 -6.225 -9.990 1.00 0.63 C ATOM 322 C ALA A 21 -5.220 -7.717 -9.717 1.00 0.78 C ATOM 323 O ALA A 21 -5.482 -8.552 -10.559 1.00 1.14 O ATOM 324 CB ALA A 21 -4.452 -5.741 -11.040 1.00 0.75 C ATOM 0 H ALA A 21 -4.297 -5.182 -8.519 1.00 0.35 H new ATOM 0 HA ALA A 21 -6.469 -6.085 -10.352 1.00 0.63 H new ATOM 0 HB1 ALA A 21 -4.585 -6.312 -11.959 1.00 0.75 H new ATOM 0 HB2 ALA A 21 -4.621 -4.683 -11.242 1.00 0.75 H new ATOM 0 HB3 ALA A 21 -3.437 -5.882 -10.669 1.00 0.75 H new ATOM 330 N GLU A 22 -4.737 -8.017 -8.543 1.00 0.57 N ATOM 331 CA GLU A 22 -4.484 -9.447 -8.198 1.00 0.78 C ATOM 332 C GLU A 22 -5.702 -10.041 -7.482 1.00 0.85 C ATOM 333 O GLU A 22 -6.109 -11.150 -7.762 1.00 1.12 O ATOM 334 CB GLU A 22 -3.264 -9.533 -7.284 1.00 0.83 C ATOM 335 CG GLU A 22 -2.985 -11.001 -6.956 1.00 0.88 C ATOM 336 CD GLU A 22 -1.662 -11.107 -6.193 1.00 0.39 C ATOM 337 OE1 GLU A 22 -0.655 -10.808 -6.814 1.00 1.27 O ATOM 338 OE2 GLU A 22 -1.734 -11.480 -5.034 1.00 1.03 O ATOM 0 H GLU A 22 -4.508 -7.342 -7.813 1.00 0.57 H new ATOM 0 HA GLU A 22 -4.303 -10.011 -9.113 1.00 0.78 H new ATOM 0 HB2 GLU A 22 -2.397 -9.085 -7.771 1.00 0.83 H new ATOM 0 HB3 GLU A 22 -3.441 -8.970 -6.367 1.00 0.83 H new ATOM 0 HG2 GLU A 22 -3.797 -11.412 -6.357 1.00 0.88 H new ATOM 0 HG3 GLU A 22 -2.937 -11.588 -7.873 1.00 0.88 H new ATOM 345 N HIS A 23 -6.257 -9.286 -6.572 1.00 0.63 N ATOM 346 CA HIS A 23 -7.447 -9.788 -5.825 1.00 0.70 C ATOM 347 C HIS A 23 -8.736 -9.236 -6.445 1.00 0.57 C ATOM 348 O HIS A 23 -9.817 -9.715 -6.166 1.00 0.74 O ATOM 349 CB HIS A 23 -7.348 -9.335 -4.369 1.00 0.76 C ATOM 350 CG HIS A 23 -5.885 -9.381 -3.925 1.00 0.80 C ATOM 351 ND1 HIS A 23 -5.224 -10.431 -3.740 1.00 0.85 N ATOM 352 CD2 HIS A 23 -5.013 -8.347 -3.644 1.00 0.86 C ATOM 353 CE1 HIS A 23 -4.035 -10.170 -3.375 1.00 0.94 C ATOM 354 NE2 HIS A 23 -3.809 -8.861 -3.287 1.00 0.96 N ATOM 0 H HIS A 23 -5.941 -8.351 -6.315 1.00 0.63 H new ATOM 0 HA HIS A 23 -7.471 -10.876 -5.877 1.00 0.70 H new ATOM 0 HB2 HIS A 23 -7.741 -8.324 -4.263 1.00 0.76 H new ATOM 0 HB3 HIS A 23 -7.954 -9.981 -3.733 1.00 0.76 H new ATOM 0 HD2 HIS A 23 -5.252 -7.295 -3.700 1.00 0.86 H new ATOM 0 HE1 HIS A 23 -3.292 -10.924 -3.161 1.00 0.94 H new ATOM 0 HE2 HIS A 23 -2.954 -8.372 -3.021 1.00 0.96 H new ATOM 362 N ASN A 24 -8.592 -8.239 -7.274 1.00 0.33 N ATOM 363 CA ASN A 24 -9.798 -7.644 -7.919 1.00 0.29 C ATOM 364 C ASN A 24 -10.794 -7.176 -6.851 1.00 0.10 C ATOM 365 O ASN A 24 -11.613 -7.943 -6.386 1.00 0.53 O ATOM 366 CB ASN A 24 -10.461 -8.696 -8.806 1.00 0.59 C ATOM 367 CG ASN A 24 -9.388 -9.423 -9.617 1.00 1.18 C ATOM 368 OD1 ASN A 24 -9.028 -10.546 -9.325 1.00 2.05 O ATOM 369 ND2 ASN A 24 -8.852 -8.820 -10.643 1.00 1.74 N ATOM 0 H ASN A 24 -7.701 -7.814 -7.531 1.00 0.33 H new ATOM 0 HA ASN A 24 -9.497 -6.786 -8.520 1.00 0.29 H new ATOM 0 HB2 ASN A 24 -11.015 -9.408 -8.194 1.00 0.59 H new ATOM 0 HB3 ASN A 24 -11.180 -8.223 -9.475 1.00 0.59 H new ATOM 0 HD21 ASN A 24 -8.135 -9.292 -11.195 1.00 1.74 H new ATOM 0 HD22 ASN A 24 -9.150 -7.877 -10.893 1.00 1.74 H new ATOM 376 N LEU A 25 -10.697 -5.925 -6.487 1.00 0.30 N ATOM 377 CA LEU A 25 -11.629 -5.385 -5.452 1.00 0.29 C ATOM 378 C LEU A 25 -12.057 -3.961 -5.817 1.00 0.45 C ATOM 379 O LEU A 25 -11.266 -3.039 -5.766 1.00 0.88 O ATOM 380 CB LEU A 25 -10.922 -5.371 -4.098 1.00 0.34 C ATOM 381 CG LEU A 25 -11.178 -6.701 -3.384 1.00 0.47 C ATOM 382 CD1 LEU A 25 -10.059 -6.952 -2.370 1.00 0.59 C ATOM 383 CD2 LEU A 25 -12.517 -6.629 -2.648 1.00 0.45 C ATOM 0 H LEU A 25 -10.020 -5.258 -6.857 1.00 0.30 H new ATOM 0 HA LEU A 25 -12.514 -6.019 -5.403 1.00 0.29 H new ATOM 0 HB2 LEU A 25 -9.852 -5.218 -4.235 1.00 0.34 H new ATOM 0 HB3 LEU A 25 -11.288 -4.542 -3.492 1.00 0.34 H new ATOM 0 HG LEU A 25 -11.203 -7.511 -4.113 1.00 0.47 H new ATOM 0 HD11 LEU A 25 -10.237 -7.898 -1.859 1.00 0.59 H new ATOM 0 HD12 LEU A 25 -9.101 -6.994 -2.888 1.00 0.59 H new ATOM 0 HD13 LEU A 25 -10.041 -6.143 -1.640 1.00 0.59 H new ATOM 0 HD21 LEU A 25 -12.703 -7.574 -2.138 1.00 0.45 H new ATOM 0 HD22 LEU A 25 -12.487 -5.822 -1.916 1.00 0.45 H new ATOM 0 HD23 LEU A 25 -13.316 -6.440 -3.364 1.00 0.45 H new ATOM 395 N ASP A 26 -13.301 -3.811 -6.176 1.00 0.67 N ATOM 396 CA ASP A 26 -13.798 -2.454 -6.546 1.00 0.73 C ATOM 397 C ASP A 26 -13.550 -1.471 -5.399 1.00 0.77 C ATOM 398 O ASP A 26 -14.320 -1.398 -4.462 1.00 0.87 O ATOM 399 CB ASP A 26 -15.296 -2.532 -6.836 1.00 0.82 C ATOM 400 CG ASP A 26 -15.564 -3.685 -7.804 1.00 1.37 C ATOM 401 OD1 ASP A 26 -14.920 -3.684 -8.840 1.00 1.35 O ATOM 402 OD2 ASP A 26 -16.398 -4.505 -7.453 1.00 2.38 O ATOM 0 H ASP A 26 -13.991 -4.561 -6.230 1.00 0.67 H new ATOM 0 HA ASP A 26 -13.266 -2.105 -7.431 1.00 0.73 H new ATOM 0 HB2 ASP A 26 -15.850 -2.684 -5.910 1.00 0.82 H new ATOM 0 HB3 ASP A 26 -15.644 -1.593 -7.266 1.00 0.82 H new ATOM 407 N ALA A 27 -12.478 -0.733 -5.498 1.00 0.73 N ATOM 408 CA ALA A 27 -12.163 0.251 -4.421 1.00 0.83 C ATOM 409 C ALA A 27 -13.272 1.305 -4.327 1.00 0.70 C ATOM 410 O ALA A 27 -13.208 2.206 -3.515 1.00 0.44 O ATOM 411 CB ALA A 27 -10.835 0.935 -4.743 1.00 0.90 C ATOM 0 H ALA A 27 -11.812 -0.767 -6.270 1.00 0.73 H new ATOM 0 HA ALA A 27 -12.091 -0.270 -3.467 1.00 0.83 H new ATOM 0 HB1 ALA A 27 -10.598 1.656 -3.960 1.00 0.90 H new ATOM 0 HB2 ALA A 27 -10.044 0.187 -4.799 1.00 0.90 H new ATOM 0 HB3 ALA A 27 -10.914 1.451 -5.700 1.00 0.90 H new ATOM 417 N SER A 28 -14.265 1.169 -5.164 1.00 0.88 N ATOM 418 CA SER A 28 -15.384 2.155 -5.137 1.00 0.77 C ATOM 419 C SER A 28 -15.922 2.303 -3.711 1.00 0.60 C ATOM 420 O SER A 28 -16.237 3.392 -3.274 1.00 0.50 O ATOM 421 CB SER A 28 -16.503 1.664 -6.055 1.00 1.14 C ATOM 422 OG SER A 28 -17.665 2.316 -5.566 1.00 2.38 O ATOM 0 H SER A 28 -14.350 0.427 -5.858 1.00 0.88 H new ATOM 0 HA SER A 28 -15.019 3.124 -5.479 1.00 0.77 H new ATOM 0 HB2 SER A 28 -16.308 1.925 -7.095 1.00 1.14 H new ATOM 0 HB3 SER A 28 -16.607 0.580 -6.012 1.00 1.14 H new ATOM 0 HG SER A 28 -18.439 2.054 -6.107 1.00 2.38 H new ATOM 428 N ALA A 29 -16.015 1.202 -3.016 1.00 0.81 N ATOM 429 CA ALA A 29 -16.529 1.261 -1.616 1.00 0.90 C ATOM 430 C ALA A 29 -15.429 1.756 -0.671 1.00 0.67 C ATOM 431 O ALA A 29 -15.706 2.256 0.401 1.00 0.85 O ATOM 432 CB ALA A 29 -16.979 -0.136 -1.189 1.00 1.28 C ATOM 0 H ALA A 29 -15.761 0.273 -3.351 1.00 0.81 H new ATOM 0 HA ALA A 29 -17.371 1.952 -1.570 1.00 0.90 H new ATOM 0 HB1 ALA A 29 -17.356 -0.100 -0.167 1.00 1.28 H new ATOM 0 HB2 ALA A 29 -17.769 -0.483 -1.855 1.00 1.28 H new ATOM 0 HB3 ALA A 29 -16.134 -0.822 -1.240 1.00 1.28 H new ATOM 438 N ILE A 30 -14.203 1.605 -1.092 1.00 0.36 N ATOM 439 CA ILE A 30 -13.072 2.061 -0.231 1.00 0.33 C ATOM 440 C ILE A 30 -12.678 3.496 -0.601 1.00 0.59 C ATOM 441 O ILE A 30 -12.165 3.746 -1.673 1.00 1.00 O ATOM 442 CB ILE A 30 -11.871 1.129 -0.450 1.00 0.12 C ATOM 443 CG1 ILE A 30 -12.312 -0.338 -0.260 1.00 0.50 C ATOM 444 CG2 ILE A 30 -10.751 1.478 0.548 1.00 0.39 C ATOM 445 CD1 ILE A 30 -13.003 -0.512 1.100 1.00 0.80 C ATOM 0 H ILE A 30 -13.936 1.190 -1.985 1.00 0.36 H new ATOM 0 HA ILE A 30 -13.378 2.035 0.815 1.00 0.33 H new ATOM 0 HB ILE A 30 -11.493 1.259 -1.464 1.00 0.12 H new ATOM 0 HG12 ILE A 30 -12.992 -0.628 -1.061 1.00 0.50 H new ATOM 0 HG13 ILE A 30 -11.446 -0.997 -0.323 1.00 0.50 H new ATOM 0 HG21 ILE A 30 -9.901 0.814 0.388 1.00 0.39 H new ATOM 0 HG22 ILE A 30 -10.438 2.511 0.397 1.00 0.39 H new ATOM 0 HG23 ILE A 30 -11.120 1.356 1.566 1.00 0.39 H new ATOM 0 HD11 ILE A 30 -13.309 -1.551 1.222 1.00 0.80 H new ATOM 0 HD12 ILE A 30 -12.310 -0.242 1.897 1.00 0.80 H new ATOM 0 HD13 ILE A 30 -13.880 0.133 1.147 1.00 0.80 H new ATOM 457 N LYS A 31 -12.929 4.410 0.298 1.00 0.72 N ATOM 458 CA LYS A 31 -12.578 5.833 0.016 1.00 1.07 C ATOM 459 C LYS A 31 -11.058 5.993 -0.100 1.00 1.26 C ATOM 460 O LYS A 31 -10.309 5.114 0.277 1.00 1.61 O ATOM 461 CB LYS A 31 -13.096 6.709 1.155 1.00 1.39 C ATOM 462 CG LYS A 31 -12.702 6.077 2.491 1.00 1.96 C ATOM 463 CD LYS A 31 -12.977 7.074 3.619 1.00 2.59 C ATOM 464 CE LYS A 31 -12.990 6.327 4.955 1.00 3.49 C ATOM 465 NZ LYS A 31 -12.921 7.290 6.091 1.00 4.52 N ATOM 0 H LYS A 31 -13.358 4.236 1.207 1.00 0.72 H new ATOM 0 HA LYS A 31 -13.036 6.135 -0.926 1.00 1.07 H new ATOM 0 HB2 LYS A 31 -12.679 7.713 1.077 1.00 1.39 H new ATOM 0 HB3 LYS A 31 -14.180 6.808 1.091 1.00 1.39 H new ATOM 0 HG2 LYS A 31 -13.268 5.160 2.654 1.00 1.96 H new ATOM 0 HG3 LYS A 31 -11.647 5.803 2.480 1.00 1.96 H new ATOM 0 HD2 LYS A 31 -12.212 7.850 3.630 1.00 2.59 H new ATOM 0 HD3 LYS A 31 -13.933 7.571 3.457 1.00 2.59 H new ATOM 0 HE2 LYS A 31 -13.896 5.726 5.034 1.00 3.49 H new ATOM 0 HE3 LYS A 31 -12.146 5.639 5.002 1.00 3.49 H new ATOM 0 HZ1 LYS A 31 -12.931 6.767 6.990 1.00 4.52 H new ATOM 0 HZ2 LYS A 31 -12.044 7.845 6.023 1.00 4.52 H new ATOM 0 HZ3 LYS A 31 -13.740 7.930 6.054 1.00 4.52 H new ATOM 479 N GLY A 32 -10.637 7.113 -0.622 1.00 1.18 N ATOM 480 CA GLY A 32 -9.173 7.347 -0.770 1.00 1.34 C ATOM 481 C GLY A 32 -8.873 8.848 -0.797 1.00 2.20 C ATOM 482 O GLY A 32 -8.660 9.422 -1.846 1.00 3.03 O ATOM 0 H GLY A 32 -11.238 7.870 -0.950 1.00 1.18 H new ATOM 0 HA2 GLY A 32 -8.638 6.877 0.055 1.00 1.34 H new ATOM 0 HA3 GLY A 32 -8.815 6.881 -1.688 1.00 1.34 H new ATOM 486 N THR A 33 -8.863 9.452 0.360 1.00 2.17 N ATOM 487 CA THR A 33 -8.578 10.916 0.419 1.00 2.99 C ATOM 488 C THR A 33 -7.082 11.155 0.653 1.00 2.67 C ATOM 489 O THR A 33 -6.702 11.968 1.473 1.00 2.48 O ATOM 490 CB THR A 33 -9.380 11.537 1.567 1.00 3.64 C ATOM 491 OG1 THR A 33 -9.279 10.594 2.630 1.00 3.21 O ATOM 492 CG2 THR A 33 -10.868 11.613 1.235 1.00 4.27 C ATOM 0 H THR A 33 -9.038 9.002 1.259 1.00 2.17 H new ATOM 0 HA THR A 33 -8.865 11.376 -0.527 1.00 2.99 H new ATOM 0 HB THR A 33 -9.006 12.538 1.784 1.00 3.64 H new ATOM 0 HG1 THR A 33 -9.772 10.926 3.410 1.00 3.21 H new ATOM 0 HG21 THR A 33 -11.405 12.059 2.072 1.00 4.27 H new ATOM 0 HG22 THR A 33 -11.011 12.225 0.345 1.00 4.27 H new ATOM 0 HG23 THR A 33 -11.251 10.609 1.051 1.00 4.27 H new ATOM 500 N GLY A 34 -6.267 10.442 -0.074 1.00 2.72 N ATOM 501 CA GLY A 34 -4.797 10.615 0.093 1.00 2.49 C ATOM 502 C GLY A 34 -4.329 11.896 -0.600 1.00 3.29 C ATOM 503 O GLY A 34 -5.126 12.753 -0.929 1.00 3.80 O ATOM 0 H GLY A 34 -6.552 9.753 -0.770 1.00 2.72 H new ATOM 0 HA2 GLY A 34 -4.547 10.655 1.153 1.00 2.49 H new ATOM 0 HA3 GLY A 34 -4.273 9.755 -0.325 1.00 2.49 H new ATOM 507 N VAL A 35 -3.045 12.001 -0.809 1.00 3.45 N ATOM 508 CA VAL A 35 -2.507 13.221 -1.479 1.00 4.27 C ATOM 509 C VAL A 35 -3.048 13.318 -2.911 1.00 4.72 C ATOM 510 O VAL A 35 -2.771 12.476 -3.740 1.00 5.43 O ATOM 511 CB VAL A 35 -0.983 13.140 -1.515 1.00 4.38 C ATOM 512 CG1 VAL A 35 -0.411 14.536 -1.771 1.00 4.86 C ATOM 513 CG2 VAL A 35 -0.474 12.628 -0.167 1.00 4.05 C ATOM 0 H VAL A 35 -2.350 11.302 -0.548 1.00 3.45 H new ATOM 0 HA VAL A 35 -2.819 14.105 -0.923 1.00 4.27 H new ATOM 0 HB VAL A 35 -0.669 12.462 -2.309 1.00 4.38 H new ATOM 0 HG11 VAL A 35 0.677 14.484 -1.798 1.00 4.86 H new ATOM 0 HG12 VAL A 35 -0.780 14.911 -2.726 1.00 4.86 H new ATOM 0 HG13 VAL A 35 -0.723 15.209 -0.972 1.00 4.86 H new ATOM 0 HG21 VAL A 35 0.614 12.568 -0.188 1.00 4.05 H new ATOM 0 HG22 VAL A 35 -0.785 13.312 0.623 1.00 4.05 H new ATOM 0 HG23 VAL A 35 -0.888 11.638 0.026 1.00 4.05 H new ATOM 523 N GLY A 36 -3.807 14.348 -3.166 1.00 4.48 N ATOM 524 CA GLY A 36 -4.372 14.517 -4.535 1.00 4.84 C ATOM 525 C GLY A 36 -5.482 13.495 -4.784 1.00 4.45 C ATOM 526 O GLY A 36 -5.927 13.317 -5.901 1.00 4.80 O ATOM 0 H GLY A 36 -4.059 15.073 -2.494 1.00 4.48 H new ATOM 0 HA2 GLY A 36 -4.766 15.527 -4.650 1.00 4.84 H new ATOM 0 HA3 GLY A 36 -3.584 14.396 -5.278 1.00 4.84 H new ATOM 530 N GLY A 37 -5.906 12.842 -3.737 1.00 3.75 N ATOM 531 CA GLY A 37 -6.986 11.827 -3.896 1.00 3.32 C ATOM 532 C GLY A 37 -6.392 10.474 -4.294 1.00 2.98 C ATOM 533 O GLY A 37 -6.966 9.751 -5.083 1.00 2.95 O ATOM 0 H GLY A 37 -5.556 12.965 -2.787 1.00 3.75 H new ATOM 0 HA2 GLY A 37 -7.541 11.728 -2.963 1.00 3.32 H new ATOM 0 HA3 GLY A 37 -7.695 12.157 -4.655 1.00 3.32 H new ATOM 537 N ARG A 38 -5.255 10.160 -3.739 1.00 2.77 N ATOM 538 CA ARG A 38 -4.611 8.856 -4.074 1.00 2.52 C ATOM 539 C ARG A 38 -5.048 7.779 -3.076 1.00 1.99 C ATOM 540 O ARG A 38 -5.031 7.993 -1.880 1.00 1.90 O ATOM 541 CB ARG A 38 -3.093 9.017 -4.017 1.00 2.65 C ATOM 542 CG ARG A 38 -2.439 7.885 -4.812 1.00 3.83 C ATOM 543 CD ARG A 38 -0.929 7.902 -4.560 1.00 4.19 C ATOM 544 NE ARG A 38 -0.667 7.473 -3.158 1.00 4.03 N ATOM 545 CZ ARG A 38 0.390 7.921 -2.538 1.00 4.25 C ATOM 546 NH1 ARG A 38 0.693 9.187 -2.644 1.00 3.51 N ATOM 547 NH2 ARG A 38 1.108 7.092 -1.831 1.00 5.44 N ATOM 0 H ARG A 38 -4.746 10.742 -3.074 1.00 2.77 H new ATOM 0 HA ARG A 38 -4.915 8.553 -5.076 1.00 2.52 H new ATOM 0 HB2 ARG A 38 -2.802 9.983 -4.429 1.00 2.65 H new ATOM 0 HB3 ARG A 38 -2.751 8.996 -2.982 1.00 2.65 H new ATOM 0 HG2 ARG A 38 -2.859 6.925 -4.513 1.00 3.83 H new ATOM 0 HG3 ARG A 38 -2.644 8.006 -5.876 1.00 3.83 H new ATOM 0 HD2 ARG A 38 -0.423 7.235 -5.259 1.00 4.19 H new ATOM 0 HD3 ARG A 38 -0.530 8.902 -4.728 1.00 4.19 H new ATOM 0 HE ARG A 38 -1.308 6.835 -2.687 1.00 4.03 H new ATOM 0 HH11 ARG A 38 0.107 9.806 -3.204 1.00 3.51 H new ATOM 0 HH12 ARG A 38 1.515 9.556 -2.167 1.00 3.51 H new ATOM 0 HH21 ARG A 38 0.840 6.110 -1.769 1.00 5.44 H new ATOM 0 HH22 ARG A 38 1.937 7.426 -1.340 1.00 5.44 H new ATOM 561 N LEU A 39 -5.431 6.643 -3.590 1.00 1.70 N ATOM 562 CA LEU A 39 -5.875 5.542 -2.685 1.00 1.17 C ATOM 563 C LEU A 39 -4.661 4.915 -1.989 1.00 1.04 C ATOM 564 O LEU A 39 -3.858 4.251 -2.614 1.00 1.47 O ATOM 565 CB LEU A 39 -6.607 4.479 -3.518 1.00 1.04 C ATOM 566 CG LEU A 39 -6.836 3.213 -2.675 1.00 0.77 C ATOM 567 CD1 LEU A 39 -7.463 3.597 -1.332 1.00 0.71 C ATOM 568 CD2 LEU A 39 -7.794 2.285 -3.423 1.00 0.73 C ATOM 0 H LEU A 39 -5.456 6.429 -4.587 1.00 1.70 H new ATOM 0 HA LEU A 39 -6.546 5.940 -1.924 1.00 1.17 H new ATOM 0 HB2 LEU A 39 -7.563 4.872 -3.865 1.00 1.04 H new ATOM 0 HB3 LEU A 39 -6.022 4.234 -4.405 1.00 1.04 H new ATOM 0 HG LEU A 39 -5.884 2.712 -2.503 1.00 0.77 H new ATOM 0 HD11 LEU A 39 -7.625 2.699 -0.736 1.00 0.71 H new ATOM 0 HD12 LEU A 39 -6.794 4.272 -0.798 1.00 0.71 H new ATOM 0 HD13 LEU A 39 -8.417 4.094 -1.505 1.00 0.71 H new ATOM 0 HD21 LEU A 39 -7.963 1.384 -2.833 1.00 0.73 H new ATOM 0 HD22 LEU A 39 -8.743 2.796 -3.585 1.00 0.73 H new ATOM 0 HD23 LEU A 39 -7.360 2.013 -4.385 1.00 0.73 H new ATOM 580 N THR A 40 -4.556 5.140 -0.708 1.00 0.68 N ATOM 581 CA THR A 40 -3.405 4.562 0.045 1.00 0.46 C ATOM 582 C THR A 40 -3.730 3.128 0.479 1.00 0.22 C ATOM 583 O THR A 40 -4.778 2.603 0.157 1.00 0.22 O ATOM 584 CB THR A 40 -3.131 5.421 1.281 1.00 0.48 C ATOM 585 OG1 THR A 40 -3.963 4.869 2.298 1.00 0.42 O ATOM 586 CG2 THR A 40 -3.625 6.853 1.089 1.00 0.55 C ATOM 0 H THR A 40 -5.210 5.693 -0.154 1.00 0.68 H new ATOM 0 HA THR A 40 -2.524 4.547 -0.597 1.00 0.46 H new ATOM 0 HB THR A 40 -2.063 5.432 1.497 1.00 0.48 H new ATOM 0 HG1 THR A 40 -3.422 4.668 3.090 1.00 0.42 H new ATOM 0 HG21 THR A 40 -3.414 7.434 1.987 1.00 0.55 H new ATOM 0 HG22 THR A 40 -3.115 7.303 0.237 1.00 0.55 H new ATOM 0 HG23 THR A 40 -4.700 6.846 0.906 1.00 0.55 H new ATOM 594 N ARG A 41 -2.826 2.527 1.201 1.00 0.23 N ATOM 595 CA ARG A 41 -3.072 1.129 1.662 1.00 0.30 C ATOM 596 C ARG A 41 -3.758 1.138 3.031 1.00 0.34 C ATOM 597 O ARG A 41 -4.540 0.262 3.342 1.00 0.69 O ATOM 598 CB ARG A 41 -1.738 0.392 1.764 1.00 0.50 C ATOM 599 CG ARG A 41 -2.006 -1.105 1.923 1.00 0.74 C ATOM 600 CD ARG A 41 -1.061 -1.674 2.984 1.00 1.34 C ATOM 601 NE ARG A 41 -1.139 -3.160 2.955 1.00 1.96 N ATOM 602 CZ ARG A 41 -0.318 -3.859 3.691 1.00 2.13 C ATOM 603 NH1 ARG A 41 0.910 -3.444 3.834 1.00 1.25 N ATOM 604 NH2 ARG A 41 -0.754 -4.950 4.260 1.00 3.42 N ATOM 0 H ARG A 41 -1.937 2.936 1.490 1.00 0.23 H new ATOM 0 HA ARG A 41 -3.720 0.624 0.946 1.00 0.30 H new ATOM 0 HB2 ARG A 41 -1.138 0.574 0.872 1.00 0.50 H new ATOM 0 HB3 ARG A 41 -1.166 0.764 2.614 1.00 0.50 H new ATOM 0 HG2 ARG A 41 -3.043 -1.272 2.215 1.00 0.74 H new ATOM 0 HG3 ARG A 41 -1.856 -1.617 0.972 1.00 0.74 H new ATOM 0 HD2 ARG A 41 -0.039 -1.347 2.792 1.00 1.34 H new ATOM 0 HD3 ARG A 41 -1.335 -1.302 3.971 1.00 1.34 H new ATOM 0 HE ARG A 41 -1.827 -3.628 2.366 1.00 1.96 H new ATOM 0 HH11 ARG A 41 1.215 -2.586 3.374 1.00 1.25 H new ATOM 0 HH12 ARG A 41 1.565 -3.977 4.405 1.00 1.25 H new ATOM 0 HH21 ARG A 41 -1.722 -5.243 4.126 1.00 3.42 H new ATOM 0 HH22 ARG A 41 -0.127 -5.509 4.839 1.00 3.42 H new ATOM 618 N GLU A 42 -3.451 2.130 3.823 1.00 0.21 N ATOM 619 CA GLU A 42 -4.080 2.209 5.173 1.00 0.48 C ATOM 620 C GLU A 42 -5.605 2.237 5.038 1.00 0.48 C ATOM 621 O GLU A 42 -6.320 2.184 6.019 1.00 0.52 O ATOM 622 CB GLU A 42 -3.606 3.483 5.873 1.00 0.67 C ATOM 623 CG GLU A 42 -2.079 3.465 5.967 1.00 1.30 C ATOM 624 CD GLU A 42 -1.500 4.493 4.992 1.00 2.89 C ATOM 625 OE1 GLU A 42 -1.550 4.204 3.808 1.00 3.87 O ATOM 626 OE2 GLU A 42 -1.041 5.509 5.487 1.00 3.37 O ATOM 0 H GLU A 42 -2.799 2.881 3.597 1.00 0.21 H new ATOM 0 HA GLU A 42 -3.791 1.336 5.758 1.00 0.48 H new ATOM 0 HB2 GLU A 42 -3.938 4.362 5.320 1.00 0.67 H new ATOM 0 HB3 GLU A 42 -4.043 3.549 6.869 1.00 0.67 H new ATOM 0 HG2 GLU A 42 -1.763 3.694 6.985 1.00 1.30 H new ATOM 0 HG3 GLU A 42 -1.700 2.470 5.732 1.00 1.30 H new ATOM 633 N ASP A 43 -6.069 2.320 3.821 1.00 0.45 N ATOM 634 CA ASP A 43 -7.544 2.351 3.597 1.00 0.44 C ATOM 635 C ASP A 43 -8.057 0.947 3.264 1.00 0.41 C ATOM 636 O ASP A 43 -9.002 0.471 3.861 1.00 0.57 O ATOM 637 CB ASP A 43 -7.851 3.295 2.435 1.00 0.36 C ATOM 638 CG ASP A 43 -8.035 4.716 2.971 1.00 0.62 C ATOM 639 OD1 ASP A 43 -7.023 5.288 3.343 1.00 0.69 O ATOM 640 OD2 ASP A 43 -9.175 5.149 2.977 1.00 1.48 O ATOM 0 H ASP A 43 -5.497 2.367 2.978 1.00 0.45 H new ATOM 0 HA ASP A 43 -8.039 2.701 4.503 1.00 0.44 H new ATOM 0 HB2 ASP A 43 -7.039 3.271 1.708 1.00 0.36 H new ATOM 0 HB3 ASP A 43 -8.753 2.970 1.917 1.00 0.36 H new ATOM 645 N VAL A 44 -7.421 0.313 2.315 1.00 0.31 N ATOM 646 CA VAL A 44 -7.858 -1.061 1.931 1.00 0.43 C ATOM 647 C VAL A 44 -7.443 -2.068 3.009 1.00 0.63 C ATOM 648 O VAL A 44 -8.000 -3.143 3.106 1.00 0.72 O ATOM 649 CB VAL A 44 -7.204 -1.440 0.602 1.00 0.41 C ATOM 650 CG1 VAL A 44 -7.999 -2.576 -0.043 1.00 0.62 C ATOM 651 CG2 VAL A 44 -7.214 -0.226 -0.329 1.00 0.29 C ATOM 0 H VAL A 44 -6.626 0.682 1.794 1.00 0.31 H new ATOM 0 HA VAL A 44 -8.943 -1.078 1.831 1.00 0.43 H new ATOM 0 HB VAL A 44 -6.177 -1.761 0.775 1.00 0.41 H new ATOM 0 HG11 VAL A 44 -7.537 -2.851 -0.991 1.00 0.62 H new ATOM 0 HG12 VAL A 44 -8.004 -3.440 0.622 1.00 0.62 H new ATOM 0 HG13 VAL A 44 -9.023 -2.248 -0.220 1.00 0.62 H new ATOM 0 HG21 VAL A 44 -6.749 -0.492 -1.278 1.00 0.29 H new ATOM 0 HG22 VAL A 44 -8.243 0.089 -0.505 1.00 0.29 H new ATOM 0 HG23 VAL A 44 -6.658 0.591 0.132 1.00 0.29 H new ATOM 661 N GLU A 45 -6.471 -1.696 3.797 1.00 0.71 N ATOM 662 CA GLU A 45 -6.006 -2.620 4.874 1.00 0.92 C ATOM 663 C GLU A 45 -7.201 -3.114 5.697 1.00 0.79 C ATOM 664 O GLU A 45 -7.331 -4.293 5.962 1.00 0.80 O ATOM 665 CB GLU A 45 -5.032 -1.876 5.786 1.00 1.19 C ATOM 666 CG GLU A 45 -4.603 -2.803 6.924 1.00 1.59 C ATOM 667 CD GLU A 45 -5.307 -2.377 8.215 1.00 2.82 C ATOM 668 OE1 GLU A 45 -6.522 -2.480 8.228 1.00 3.74 O ATOM 669 OE2 GLU A 45 -4.588 -1.973 9.114 1.00 3.30 O ATOM 0 H GLU A 45 -5.982 -0.802 3.744 1.00 0.71 H new ATOM 0 HA GLU A 45 -5.509 -3.478 4.422 1.00 0.92 H new ATOM 0 HB2 GLU A 45 -4.161 -1.549 5.218 1.00 1.19 H new ATOM 0 HB3 GLU A 45 -5.504 -0.980 6.189 1.00 1.19 H new ATOM 0 HG2 GLU A 45 -4.855 -3.836 6.682 1.00 1.59 H new ATOM 0 HG3 GLU A 45 -3.522 -2.761 7.055 1.00 1.59 H new ATOM 676 N LYS A 46 -8.047 -2.199 6.085 1.00 0.71 N ATOM 677 CA LYS A 46 -9.238 -2.597 6.891 1.00 0.62 C ATOM 678 C LYS A 46 -10.296 -3.240 5.989 1.00 0.46 C ATOM 679 O LYS A 46 -11.478 -3.010 6.153 1.00 0.90 O ATOM 680 CB LYS A 46 -9.824 -1.356 7.562 1.00 0.72 C ATOM 681 CG LYS A 46 -10.761 -1.790 8.692 1.00 1.71 C ATOM 682 CD LYS A 46 -11.952 -0.832 8.751 1.00 2.52 C ATOM 683 CE LYS A 46 -12.676 -1.013 10.085 1.00 3.20 C ATOM 684 NZ LYS A 46 -12.735 -2.456 10.455 1.00 3.82 N ATOM 0 H LYS A 46 -7.968 -1.203 5.882 1.00 0.71 H new ATOM 0 HA LYS A 46 -8.935 -3.320 7.648 1.00 0.62 H new ATOM 0 HB2 LYS A 46 -9.024 -0.730 7.957 1.00 0.72 H new ATOM 0 HB3 LYS A 46 -10.368 -0.756 6.832 1.00 0.72 H new ATOM 0 HG2 LYS A 46 -11.107 -2.810 8.523 1.00 1.71 H new ATOM 0 HG3 LYS A 46 -10.229 -1.788 9.643 1.00 1.71 H new ATOM 0 HD2 LYS A 46 -11.611 0.198 8.645 1.00 2.52 H new ATOM 0 HD3 LYS A 46 -12.634 -1.029 7.924 1.00 2.52 H new ATOM 0 HE2 LYS A 46 -12.160 -0.452 10.865 1.00 3.20 H new ATOM 0 HE3 LYS A 46 -13.685 -0.608 10.016 1.00 3.20 H new ATOM 0 HZ1 LYS A 46 -13.470 -2.600 11.177 1.00 3.82 H new ATOM 0 HZ2 LYS A 46 -12.962 -3.021 9.612 1.00 3.82 H new ATOM 0 HZ3 LYS A 46 -11.814 -2.755 10.835 1.00 3.82 H new ATOM 698 N HIS A 47 -9.848 -4.031 5.053 1.00 0.45 N ATOM 699 CA HIS A 47 -10.814 -4.697 4.131 1.00 0.43 C ATOM 700 C HIS A 47 -10.311 -6.097 3.759 1.00 0.48 C ATOM 701 O HIS A 47 -11.090 -7.015 3.597 1.00 0.61 O ATOM 702 CB HIS A 47 -10.958 -3.854 2.865 1.00 0.39 C ATOM 703 CG HIS A 47 -12.365 -4.038 2.292 1.00 0.37 C ATOM 704 ND1 HIS A 47 -13.426 -3.700 2.870 1.00 0.61 N ATOM 705 CD2 HIS A 47 -12.764 -4.583 1.086 1.00 0.17 C ATOM 706 CE1 HIS A 47 -14.444 -3.973 2.160 1.00 0.55 C ATOM 707 NE2 HIS A 47 -14.117 -4.540 1.001 1.00 0.29 N ATOM 0 H HIS A 47 -8.865 -4.244 4.887 1.00 0.45 H new ATOM 0 HA HIS A 47 -11.780 -4.790 4.628 1.00 0.43 H new ATOM 0 HB2 HIS A 47 -10.780 -2.803 3.092 1.00 0.39 H new ATOM 0 HB3 HIS A 47 -10.211 -4.152 2.129 1.00 0.39 H new ATOM 0 HD2 HIS A 47 -12.103 -4.980 0.330 1.00 0.17 H new ATOM 0 HE1 HIS A 47 -15.460 -3.768 2.463 1.00 0.55 H new ATOM 0 HE2 HIS A 47 -14.725 -4.859 0.246 1.00 0.29 H new ATOM 715 N LEU A 48 -9.020 -6.228 3.632 1.00 0.48 N ATOM 716 CA LEU A 48 -8.450 -7.561 3.273 1.00 0.64 C ATOM 717 C LEU A 48 -8.176 -8.378 4.540 1.00 1.20 C ATOM 718 O LEU A 48 -8.898 -9.302 4.853 1.00 0.69 O ATOM 719 CB LEU A 48 -7.144 -7.357 2.506 1.00 0.65 C ATOM 720 CG LEU A 48 -7.464 -7.044 1.042 1.00 0.44 C ATOM 721 CD1 LEU A 48 -6.403 -6.092 0.487 1.00 1.06 C ATOM 722 CD2 LEU A 48 -7.447 -8.344 0.235 1.00 0.35 C ATOM 0 H LEU A 48 -8.339 -5.479 3.759 1.00 0.48 H new ATOM 0 HA LEU A 48 -9.165 -8.102 2.653 1.00 0.64 H new ATOM 0 HB2 LEU A 48 -6.572 -6.541 2.948 1.00 0.65 H new ATOM 0 HB3 LEU A 48 -6.526 -8.252 2.572 1.00 0.65 H new ATOM 0 HG LEU A 48 -8.447 -6.579 0.971 1.00 0.44 H new ATOM 0 HD11 LEU A 48 -6.627 -5.866 -0.556 1.00 1.06 H new ATOM 0 HD12 LEU A 48 -6.404 -5.169 1.067 1.00 1.06 H new ATOM 0 HD13 LEU A 48 -5.422 -6.562 0.554 1.00 1.06 H new ATOM 0 HD21 LEU A 48 -7.674 -8.127 -0.809 1.00 0.35 H new ATOM 0 HD22 LEU A 48 -6.460 -8.802 0.304 1.00 0.35 H new ATOM 0 HD23 LEU A 48 -8.194 -9.030 0.634 1.00 0.35 H new ATOM 734 N ALA A 49 -7.136 -8.018 5.241 1.00 2.48 N ATOM 735 CA ALA A 49 -6.799 -8.762 6.490 1.00 3.10 C ATOM 736 C ALA A 49 -5.590 -8.121 7.179 1.00 4.65 C ATOM 737 O ALA A 49 -4.612 -7.787 6.538 1.00 5.57 O ATOM 738 CB ALA A 49 -6.474 -10.212 6.136 1.00 3.53 C ATOM 0 H ALA A 49 -6.509 -7.248 5.007 1.00 2.48 H new ATOM 0 HA ALA A 49 -7.651 -8.727 7.169 1.00 3.10 H new ATOM 0 HB1 ALA A 49 -6.227 -10.762 7.044 1.00 3.53 H new ATOM 0 HB2 ALA A 49 -7.338 -10.672 5.657 1.00 3.53 H new ATOM 0 HB3 ALA A 49 -5.625 -10.238 5.453 1.00 3.53 H new ATOM 744 N LYS A 50 -5.683 -7.961 8.471 1.00 5.06 N ATOM 745 CA LYS A 50 -4.546 -7.343 9.216 1.00 6.64 C ATOM 746 C LYS A 50 -3.282 -8.191 9.052 1.00 7.42 C ATOM 747 O LYS A 50 -3.264 -9.145 8.298 1.00 7.21 O ATOM 748 CB LYS A 50 -4.911 -7.253 10.698 1.00 7.04 C ATOM 749 CG LYS A 50 -6.294 -6.613 10.836 1.00 6.63 C ATOM 750 CD LYS A 50 -6.582 -6.357 12.316 1.00 7.25 C ATOM 751 CE LYS A 50 -7.918 -7.002 12.686 1.00 6.60 C ATOM 752 NZ LYS A 50 -8.303 -6.645 14.081 1.00 7.63 N ATOM 0 H LYS A 50 -6.487 -8.228 9.039 1.00 5.06 H new ATOM 0 HA LYS A 50 -4.355 -6.347 8.818 1.00 6.64 H new ATOM 0 HB2 LYS A 50 -4.910 -8.247 11.146 1.00 7.04 H new ATOM 0 HB3 LYS A 50 -4.168 -6.661 11.233 1.00 7.04 H new ATOM 0 HG2 LYS A 50 -6.333 -5.677 10.278 1.00 6.63 H new ATOM 0 HG3 LYS A 50 -7.055 -7.268 10.413 1.00 6.63 H new ATOM 0 HD2 LYS A 50 -5.782 -6.770 12.931 1.00 7.25 H new ATOM 0 HD3 LYS A 50 -6.615 -5.285 12.513 1.00 7.25 H new ATOM 0 HE2 LYS A 50 -8.692 -6.672 11.993 1.00 6.60 H new ATOM 0 HE3 LYS A 50 -7.845 -8.085 12.589 1.00 6.60 H new ATOM 0 HZ1 LYS A 50 -9.213 -7.092 14.315 1.00 7.63 H new ATOM 0 HZ2 LYS A 50 -7.572 -6.982 14.740 1.00 7.63 H new ATOM 0 HZ3 LYS A 50 -8.393 -5.612 14.163 1.00 7.63 H new ATOM 766 N ALA A 51 -2.249 -7.826 9.763 1.00 8.51 N ATOM 767 CA ALA A 51 -0.978 -8.602 9.660 1.00 9.50 C ATOM 768 C ALA A 51 -0.221 -8.556 10.991 1.00 10.30 C ATOM 769 O ALA A 51 0.893 -9.052 10.998 1.00 11.16 O ATOM 770 CB ALA A 51 -0.110 -7.993 8.559 1.00 10.36 C ATOM 771 OXT ALA A 51 -0.800 -8.025 11.925 1.00 10.17 O ATOM 0 H ALA A 51 -2.229 -7.033 10.404 1.00 8.51 H new ATOM 0 HA ALA A 51 -1.209 -9.640 9.422 1.00 9.50 H new ATOM 0 HB1 ALA A 51 0.821 -8.554 8.477 1.00 10.36 H new ATOM 0 HB2 ALA A 51 -0.644 -8.035 7.610 1.00 10.36 H new ATOM 0 HB3 ALA A 51 0.113 -6.955 8.804 1.00 10.36 H new TER 777 ALA A 51