USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=9 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+ -107:sc= -0.0249 (180deg=-0.6) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= -0.0122 K(o=-0.012,f=-1.6!) USER MOD Single : A 8 ASN : amide:sc= -0.417 K(o=-0.42,f=-1.3) USER MOD Single : A 9 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0.123 USER MOD Single : A 23 HIS : no HD1:sc=-0.000274 X(o=-0.00027,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0809 X(o=-0.081,f=-0.086) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0869 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 40 THR OG1 : rot -64:sc= -0.468 USER MOD Single : A 46 LYS NZ :NH3+ 134:sc= 0.112 (180deg=-1.08!) USER MOD Single : A 47 HIS : no HD1:sc= -0.044 X(o=-0.044,f=-0.47) USER MOD Single : A 50 LYS NZ :NH3+ -120:sc= -0.591 (180deg=-1.79!) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 22.996 7.838 0.148 1.00 4.76 N ATOM 2 CA TYR A 1 24.442 7.977 -0.190 1.00 4.65 C ATOM 3 C TYR A 1 24.998 6.618 -0.623 1.00 3.90 C ATOM 4 O TYR A 1 25.229 5.749 0.194 1.00 4.40 O ATOM 5 CB TYR A 1 25.230 8.480 1.020 1.00 6.03 C ATOM 6 CG TYR A 1 25.359 10.003 0.941 1.00 7.02 C ATOM 7 CD1 TYR A 1 24.274 10.780 0.597 1.00 7.23 C ATOM 8 CD2 TYR A 1 26.564 10.619 1.212 1.00 7.91 C ATOM 9 CE1 TYR A 1 24.389 12.154 0.525 1.00 8.27 C ATOM 10 CE2 TYR A 1 26.681 11.992 1.141 1.00 8.88 C ATOM 11 CZ TYR A 1 25.594 12.769 0.797 1.00 9.04 C ATOM 12 OH TYR A 1 25.711 14.143 0.726 1.00 10.12 O ATOM 0 H1 TYR A 1 22.421 8.276 -0.600 1.00 4.76 H new ATOM 0 H2 TYR A 1 22.753 6.830 0.226 1.00 4.76 H new ATOM 0 H3 TYR A 1 22.804 8.311 1.054 1.00 4.76 H new ATOM 0 HA TYR A 1 24.542 8.697 -1.002 1.00 4.65 H new ATOM 0 HB2 TYR A 1 24.725 8.194 1.942 1.00 6.03 H new ATOM 0 HB3 TYR A 1 26.218 8.020 1.042 1.00 6.03 H new ATOM 0 HD1 TYR A 1 23.326 10.310 0.382 1.00 7.23 H new ATOM 0 HD2 TYR A 1 27.422 10.022 1.482 1.00 7.91 H new ATOM 0 HE1 TYR A 1 23.531 12.751 0.254 1.00 8.27 H new ATOM 0 HE2 TYR A 1 27.630 12.461 1.356 1.00 8.88 H new ATOM 0 HH TYR A 1 26.628 14.405 0.949 1.00 10.12 H new ATOM 24 N ALA A 2 25.201 6.463 -1.903 1.00 3.38 N ATOM 25 CA ALA A 2 25.740 5.166 -2.407 1.00 3.83 C ATOM 26 C ALA A 2 26.508 5.386 -3.714 1.00 4.63 C ATOM 27 O ALA A 2 26.769 6.506 -4.105 1.00 4.93 O ATOM 28 CB ALA A 2 24.579 4.204 -2.654 1.00 2.91 C ATOM 0 H ALA A 2 25.020 7.170 -2.616 1.00 3.38 H new ATOM 0 HA ALA A 2 26.419 4.746 -1.665 1.00 3.83 H new ATOM 0 HB1 ALA A 2 24.966 3.254 -3.023 1.00 2.91 H new ATOM 0 HB2 ALA A 2 24.039 4.039 -1.722 1.00 2.91 H new ATOM 0 HB3 ALA A 2 23.903 4.632 -3.394 1.00 2.91 H new ATOM 34 N SER A 3 26.854 4.307 -4.363 1.00 5.42 N ATOM 35 CA SER A 3 27.605 4.430 -5.646 1.00 6.52 C ATOM 36 C SER A 3 26.632 4.522 -6.820 1.00 6.78 C ATOM 37 O SER A 3 26.067 5.565 -7.084 1.00 6.95 O ATOM 38 CB SER A 3 28.497 3.205 -5.822 1.00 7.35 C ATOM 39 OG SER A 3 29.403 3.274 -4.731 1.00 7.73 O ATOM 0 H SER A 3 26.651 3.353 -4.064 1.00 5.42 H new ATOM 0 HA SER A 3 28.214 5.334 -5.620 1.00 6.52 H new ATOM 0 HB2 SER A 3 27.916 2.283 -5.800 1.00 7.35 H new ATOM 0 HB3 SER A 3 29.021 3.228 -6.777 1.00 7.35 H new ATOM 0 HG SER A 3 30.019 2.512 -4.768 1.00 7.73 H new ATOM 45 N LEU A 4 26.465 3.424 -7.502 1.00 7.09 N ATOM 46 CA LEU A 4 25.532 3.412 -8.668 1.00 7.68 C ATOM 47 C LEU A 4 24.245 4.168 -8.323 1.00 7.27 C ATOM 48 O LEU A 4 23.642 3.937 -7.295 1.00 6.67 O ATOM 49 CB LEU A 4 25.194 1.965 -9.020 1.00 7.72 C ATOM 50 CG LEU A 4 24.667 1.908 -10.456 1.00 8.06 C ATOM 51 CD1 LEU A 4 25.837 1.676 -11.413 1.00 9.20 C ATOM 52 CD2 LEU A 4 23.675 0.750 -10.583 1.00 8.09 C ATOM 0 H LEU A 4 26.930 2.538 -7.306 1.00 7.09 H new ATOM 0 HA LEU A 4 26.010 3.900 -9.517 1.00 7.68 H new ATOM 0 HB2 LEU A 4 26.079 1.337 -8.919 1.00 7.72 H new ATOM 0 HB3 LEU A 4 24.446 1.575 -8.329 1.00 7.72 H new ATOM 0 HG LEU A 4 24.170 2.846 -10.703 1.00 8.06 H new ATOM 0 HD11 LEU A 4 25.467 1.635 -12.437 1.00 9.20 H new ATOM 0 HD12 LEU A 4 26.552 2.493 -11.318 1.00 9.20 H new ATOM 0 HD13 LEU A 4 26.328 0.734 -11.166 1.00 9.20 H new ATOM 0 HD21 LEU A 4 23.297 0.705 -11.604 1.00 8.09 H new ATOM 0 HD22 LEU A 4 24.176 -0.187 -10.340 1.00 8.09 H new ATOM 0 HD23 LEU A 4 22.844 0.906 -9.895 1.00 8.09 H new ATOM 64 N GLU A 5 23.859 5.059 -9.195 1.00 7.79 N ATOM 65 CA GLU A 5 22.613 5.847 -8.945 1.00 7.64 C ATOM 66 C GLU A 5 21.503 4.936 -8.409 1.00 7.09 C ATOM 67 O GLU A 5 20.863 4.224 -9.158 1.00 7.69 O ATOM 68 CB GLU A 5 22.157 6.487 -10.255 1.00 8.47 C ATOM 69 CG GLU A 5 22.568 5.589 -11.423 1.00 9.44 C ATOM 70 CD GLU A 5 21.710 5.921 -12.644 1.00 10.17 C ATOM 71 OE1 GLU A 5 20.506 5.997 -12.455 1.00 9.54 O ATOM 72 OE2 GLU A 5 22.304 6.080 -13.698 1.00 11.47 O ATOM 0 H GLU A 5 24.347 5.276 -10.064 1.00 7.79 H new ATOM 0 HA GLU A 5 22.821 6.618 -8.204 1.00 7.64 H new ATOM 0 HB2 GLU A 5 21.076 6.625 -10.249 1.00 8.47 H new ATOM 0 HB3 GLU A 5 22.604 7.475 -10.366 1.00 8.47 H new ATOM 0 HG2 GLU A 5 23.623 5.735 -11.655 1.00 9.44 H new ATOM 0 HG3 GLU A 5 22.444 4.541 -11.152 1.00 9.44 H new ATOM 79 N GLU A 6 21.301 4.979 -7.120 1.00 6.14 N ATOM 80 CA GLU A 6 20.237 4.125 -6.515 1.00 5.70 C ATOM 81 C GLU A 6 19.635 4.824 -5.291 1.00 5.20 C ATOM 82 O GLU A 6 20.349 5.295 -4.428 1.00 5.42 O ATOM 83 CB GLU A 6 20.848 2.791 -6.092 1.00 5.83 C ATOM 84 CG GLU A 6 19.792 1.691 -6.226 1.00 5.92 C ATOM 85 CD GLU A 6 19.759 1.196 -7.673 1.00 7.16 C ATOM 86 OE1 GLU A 6 20.829 0.864 -8.156 1.00 7.79 O ATOM 87 OE2 GLU A 6 18.666 1.176 -8.213 1.00 7.58 O ATOM 0 H GLU A 6 21.821 5.562 -6.464 1.00 6.14 H new ATOM 0 HA GLU A 6 19.449 3.956 -7.249 1.00 5.70 H new ATOM 0 HB2 GLU A 6 21.713 2.560 -6.714 1.00 5.83 H new ATOM 0 HB3 GLU A 6 21.202 2.849 -5.063 1.00 5.83 H new ATOM 0 HG2 GLU A 6 20.022 0.866 -5.552 1.00 5.92 H new ATOM 0 HG3 GLU A 6 18.813 2.074 -5.938 1.00 5.92 H new ATOM 94 N GLN A 7 18.333 4.875 -5.242 1.00 4.78 N ATOM 95 CA GLN A 7 17.667 5.542 -4.084 1.00 4.32 C ATOM 96 C GLN A 7 17.531 4.560 -2.915 1.00 4.42 C ATOM 97 O GLN A 7 18.147 3.511 -2.910 1.00 5.37 O ATOM 98 CB GLN A 7 16.282 6.022 -4.514 1.00 3.95 C ATOM 99 CG GLN A 7 16.437 7.217 -5.457 1.00 4.91 C ATOM 100 CD GLN A 7 15.091 7.517 -6.119 1.00 5.35 C ATOM 101 OE1 GLN A 7 14.095 6.876 -5.844 1.00 5.05 O ATOM 102 NE2 GLN A 7 15.017 8.482 -6.994 1.00 6.39 N ATOM 0 H GLN A 7 17.704 4.488 -5.946 1.00 4.78 H new ATOM 0 HA GLN A 7 18.270 6.391 -3.761 1.00 4.32 H new ATOM 0 HB2 GLN A 7 15.743 5.217 -5.013 1.00 3.95 H new ATOM 0 HB3 GLN A 7 15.694 6.306 -3.641 1.00 3.95 H new ATOM 0 HG2 GLN A 7 16.785 8.089 -4.903 1.00 4.91 H new ATOM 0 HG3 GLN A 7 17.188 7.001 -6.216 1.00 4.91 H new ATOM 0 HE21 GLN A 7 15.849 9.023 -7.228 1.00 6.39 H new ATOM 0 HE22 GLN A 7 14.127 8.696 -7.444 1.00 6.39 H new ATOM 111 N ASN A 8 16.724 4.927 -1.949 1.00 3.73 N ATOM 112 CA ASN A 8 16.525 4.035 -0.762 1.00 4.22 C ATOM 113 C ASN A 8 15.034 3.739 -0.568 1.00 3.68 C ATOM 114 O ASN A 8 14.387 4.326 0.277 1.00 2.86 O ATOM 115 CB ASN A 8 17.069 4.735 0.482 1.00 4.46 C ATOM 116 CG ASN A 8 18.417 5.378 0.151 1.00 5.57 C ATOM 117 OD1 ASN A 8 19.224 4.821 -0.567 1.00 6.49 O ATOM 118 ND2 ASN A 8 18.701 6.549 0.653 1.00 5.78 N ATOM 0 H ASN A 8 16.197 5.800 -1.930 1.00 3.73 H new ATOM 0 HA ASN A 8 17.053 3.096 -0.924 1.00 4.22 H new ATOM 0 HB2 ASN A 8 16.365 5.494 0.823 1.00 4.46 H new ATOM 0 HB3 ASN A 8 17.185 4.019 1.295 1.00 4.46 H new ATOM 0 HD21 ASN A 8 19.596 6.991 0.442 1.00 5.78 H new ATOM 0 HD22 ASN A 8 18.028 7.022 1.256 1.00 5.78 H new ATOM 125 N ASN A 9 14.523 2.833 -1.355 1.00 4.45 N ATOM 126 CA ASN A 9 13.077 2.486 -1.229 1.00 4.20 C ATOM 127 C ASN A 9 12.906 1.253 -0.337 1.00 4.98 C ATOM 128 O ASN A 9 13.367 0.177 -0.667 1.00 6.07 O ATOM 129 CB ASN A 9 12.510 2.192 -2.617 1.00 5.21 C ATOM 130 CG ASN A 9 11.044 2.627 -2.667 1.00 4.69 C ATOM 131 OD1 ASN A 9 10.673 3.513 -3.411 1.00 4.85 O ATOM 132 ND2 ASN A 9 10.179 2.030 -1.893 1.00 4.55 N ATOM 0 H ASN A 9 15.036 2.322 -2.073 1.00 4.45 H new ATOM 0 HA ASN A 9 12.544 3.324 -0.779 1.00 4.20 H new ATOM 0 HB2 ASN A 9 13.085 2.722 -3.377 1.00 5.21 H new ATOM 0 HB3 ASN A 9 12.593 1.128 -2.839 1.00 5.21 H new ATOM 0 HD21 ASN A 9 9.198 2.308 -1.915 1.00 4.55 H new ATOM 0 HD22 ASN A 9 10.484 1.285 -1.266 1.00 4.55 H new ATOM 139 N ASP A 10 12.248 1.439 0.779 1.00 4.66 N ATOM 140 CA ASP A 10 12.032 0.291 1.712 1.00 5.83 C ATOM 141 C ASP A 10 10.591 0.294 2.233 1.00 5.45 C ATOM 142 O ASP A 10 10.209 -0.557 3.012 1.00 6.22 O ATOM 143 CB ASP A 10 13.000 0.416 2.888 1.00 6.76 C ATOM 144 CG ASP A 10 14.120 -0.615 2.733 1.00 8.17 C ATOM 145 OD1 ASP A 10 14.634 -0.693 1.630 1.00 8.36 O ATOM 146 OD2 ASP A 10 14.398 -1.265 3.727 1.00 9.10 O ATOM 0 H ASP A 10 11.853 2.329 1.083 1.00 4.66 H new ATOM 0 HA ASP A 10 12.210 -0.643 1.180 1.00 5.83 H new ATOM 0 HB2 ASP A 10 13.418 1.422 2.924 1.00 6.76 H new ATOM 0 HB3 ASP A 10 12.471 0.257 3.828 1.00 6.76 H new ATOM 151 N ALA A 11 9.822 1.251 1.792 1.00 4.39 N ATOM 152 CA ALA A 11 8.404 1.320 2.251 1.00 4.06 C ATOM 153 C ALA A 11 7.528 0.403 1.392 1.00 3.85 C ATOM 154 O ALA A 11 7.968 -0.640 0.950 1.00 4.18 O ATOM 155 CB ALA A 11 7.907 2.760 2.132 1.00 3.19 C ATOM 0 H ALA A 11 10.109 1.982 1.141 1.00 4.39 H new ATOM 0 HA ALA A 11 8.346 0.994 3.289 1.00 4.06 H new ATOM 0 HB1 ALA A 11 6.871 2.816 2.466 1.00 3.19 H new ATOM 0 HB2 ALA A 11 8.524 3.410 2.752 1.00 3.19 H new ATOM 0 HB3 ALA A 11 7.971 3.082 1.093 1.00 3.19 H new ATOM 161 N LEU A 12 6.307 0.810 1.173 1.00 3.56 N ATOM 162 CA LEU A 12 5.396 -0.031 0.341 1.00 3.32 C ATOM 163 C LEU A 12 6.117 -0.484 -0.933 1.00 2.66 C ATOM 164 O LEU A 12 7.050 0.153 -1.381 1.00 2.02 O ATOM 165 CB LEU A 12 4.161 0.788 -0.033 1.00 3.15 C ATOM 166 CG LEU A 12 3.335 1.054 1.228 1.00 4.04 C ATOM 167 CD1 LEU A 12 2.681 2.434 1.121 1.00 3.99 C ATOM 168 CD2 LEU A 12 2.244 -0.014 1.350 1.00 4.38 C ATOM 0 H LEU A 12 5.904 1.677 1.528 1.00 3.56 H new ATOM 0 HA LEU A 12 5.097 -0.912 0.910 1.00 3.32 H new ATOM 0 HB2 LEU A 12 4.460 1.730 -0.492 1.00 3.15 H new ATOM 0 HB3 LEU A 12 3.562 0.251 -0.768 1.00 3.15 H new ATOM 0 HG LEU A 12 3.981 1.021 2.105 1.00 4.04 H new ATOM 0 HD11 LEU A 12 2.092 2.628 2.017 1.00 3.99 H new ATOM 0 HD12 LEU A 12 3.454 3.196 1.023 1.00 3.99 H new ATOM 0 HD13 LEU A 12 2.031 2.462 0.246 1.00 3.99 H new ATOM 0 HD21 LEU A 12 1.653 0.171 2.247 1.00 4.38 H new ATOM 0 HD22 LEU A 12 1.597 0.025 0.474 1.00 4.38 H new ATOM 0 HD23 LEU A 12 2.705 -0.999 1.416 1.00 4.38 H new ATOM 180 N SER A 13 5.671 -1.578 -1.490 1.00 2.89 N ATOM 181 CA SER A 13 6.324 -2.088 -2.732 1.00 2.46 C ATOM 182 C SER A 13 5.547 -1.604 -3.974 1.00 1.76 C ATOM 183 O SER A 13 4.420 -1.168 -3.866 1.00 1.64 O ATOM 184 CB SER A 13 6.327 -3.616 -2.691 1.00 3.10 C ATOM 185 OG SER A 13 5.564 -3.933 -1.536 1.00 2.54 O ATOM 0 H SER A 13 4.891 -2.136 -1.144 1.00 2.89 H new ATOM 0 HA SER A 13 7.346 -1.713 -2.790 1.00 2.46 H new ATOM 0 HB2 SER A 13 5.882 -4.040 -3.591 1.00 3.10 H new ATOM 0 HB3 SER A 13 7.340 -4.011 -2.620 1.00 3.10 H new ATOM 0 HG SER A 13 5.513 -4.906 -1.434 1.00 2.54 H new ATOM 191 N PRO A 14 6.172 -1.690 -5.140 1.00 1.43 N ATOM 192 CA PRO A 14 5.524 -1.267 -6.389 1.00 0.79 C ATOM 193 C PRO A 14 4.225 -2.049 -6.618 1.00 0.52 C ATOM 194 O PRO A 14 3.309 -1.566 -7.253 1.00 0.13 O ATOM 195 CB PRO A 14 6.536 -1.580 -7.498 1.00 0.88 C ATOM 196 CG PRO A 14 7.782 -2.229 -6.823 1.00 1.52 C ATOM 197 CD PRO A 14 7.545 -2.211 -5.301 1.00 1.79 C ATOM 0 HA PRO A 14 5.256 -0.211 -6.365 1.00 0.79 H new ATOM 0 HB2 PRO A 14 6.102 -2.257 -8.234 1.00 0.88 H new ATOM 0 HB3 PRO A 14 6.817 -0.670 -8.029 1.00 0.88 H new ATOM 0 HG2 PRO A 14 7.922 -3.250 -7.177 1.00 1.52 H new ATOM 0 HG3 PRO A 14 8.687 -1.677 -7.077 1.00 1.52 H new ATOM 0 HD2 PRO A 14 7.642 -3.209 -4.874 1.00 1.79 H new ATOM 0 HD3 PRO A 14 8.271 -1.575 -4.795 1.00 1.79 H new ATOM 205 N ALA A 15 4.176 -3.243 -6.093 1.00 0.92 N ATOM 206 CA ALA A 15 2.949 -4.074 -6.271 1.00 0.76 C ATOM 207 C ALA A 15 1.761 -3.434 -5.548 1.00 0.53 C ATOM 208 O ALA A 15 0.627 -3.818 -5.752 1.00 0.32 O ATOM 209 CB ALA A 15 3.203 -5.468 -5.698 1.00 1.13 C ATOM 0 H ALA A 15 4.925 -3.677 -5.553 1.00 0.92 H new ATOM 0 HA ALA A 15 2.716 -4.143 -7.333 1.00 0.76 H new ATOM 0 HB1 ALA A 15 2.311 -6.081 -5.824 1.00 1.13 H new ATOM 0 HB2 ALA A 15 4.039 -5.931 -6.223 1.00 1.13 H new ATOM 0 HB3 ALA A 15 3.441 -5.388 -4.637 1.00 1.13 H new ATOM 215 N ILE A 16 2.044 -2.470 -4.715 1.00 0.83 N ATOM 216 CA ILE A 16 0.937 -1.799 -3.973 1.00 0.99 C ATOM 217 C ILE A 16 -0.210 -1.469 -4.933 1.00 0.91 C ATOM 218 O ILE A 16 -1.359 -1.421 -4.541 1.00 1.14 O ATOM 219 CB ILE A 16 1.463 -0.509 -3.340 1.00 1.24 C ATOM 220 CG1 ILE A 16 0.405 0.045 -2.377 1.00 1.44 C ATOM 221 CG2 ILE A 16 1.736 0.519 -4.440 1.00 1.18 C ATOM 222 CD1 ILE A 16 0.827 1.441 -1.912 1.00 1.54 C ATOM 0 H ILE A 16 2.982 -2.121 -4.517 1.00 0.83 H new ATOM 0 HA ILE A 16 0.568 -2.466 -3.194 1.00 0.99 H new ATOM 0 HB ILE A 16 2.385 -0.714 -2.796 1.00 1.24 H new ATOM 0 HG12 ILE A 16 -0.565 0.092 -2.872 1.00 1.44 H new ATOM 0 HG13 ILE A 16 0.294 -0.619 -1.519 1.00 1.44 H new ATOM 0 HG21 ILE A 16 2.111 1.440 -3.993 1.00 1.18 H new ATOM 0 HG22 ILE A 16 2.479 0.123 -5.132 1.00 1.18 H new ATOM 0 HG23 ILE A 16 0.813 0.728 -4.980 1.00 1.18 H new ATOM 0 HD11 ILE A 16 0.078 1.838 -1.227 1.00 1.54 H new ATOM 0 HD12 ILE A 16 1.788 1.379 -1.402 1.00 1.54 H new ATOM 0 HD13 ILE A 16 0.916 2.101 -2.775 1.00 1.54 H new ATOM 234 N ARG A 17 0.129 -1.249 -6.174 1.00 0.69 N ATOM 235 CA ARG A 17 -0.928 -0.925 -7.176 1.00 0.87 C ATOM 236 C ARG A 17 -1.590 -2.213 -7.673 1.00 0.80 C ATOM 237 O ARG A 17 -2.800 -2.326 -7.690 1.00 1.10 O ATOM 238 CB ARG A 17 -0.293 -0.188 -8.356 1.00 0.89 C ATOM 239 CG ARG A 17 -0.183 1.304 -8.023 1.00 1.07 C ATOM 240 CD ARG A 17 -1.419 2.032 -8.560 1.00 2.38 C ATOM 241 NE ARG A 17 -2.612 1.155 -8.396 1.00 3.72 N ATOM 242 CZ ARG A 17 -3.669 1.618 -7.786 1.00 5.11 C ATOM 243 NH1 ARG A 17 -3.687 1.635 -6.481 1.00 5.96 N ATOM 244 NH2 ARG A 17 -4.673 2.046 -8.501 1.00 5.82 N ATOM 0 H ARG A 17 1.082 -1.279 -6.536 1.00 0.69 H new ATOM 0 HA ARG A 17 -1.685 -0.294 -6.711 1.00 0.87 H new ATOM 0 HB2 ARG A 17 0.694 -0.599 -8.567 1.00 0.89 H new ATOM 0 HB3 ARG A 17 -0.895 -0.328 -9.254 1.00 0.89 H new ATOM 0 HG2 ARG A 17 -0.104 1.443 -6.945 1.00 1.07 H new ATOM 0 HG3 ARG A 17 0.721 1.722 -8.466 1.00 1.07 H new ATOM 0 HD2 ARG A 17 -1.565 2.970 -8.024 1.00 2.38 H new ATOM 0 HD3 ARG A 17 -1.280 2.284 -9.611 1.00 2.38 H new ATOM 0 HE ARG A 17 -2.603 0.201 -8.757 1.00 3.72 H new ATOM 0 HH11 ARG A 17 -2.884 1.290 -5.955 1.00 5.96 H new ATOM 0 HH12 ARG A 17 -4.504 1.993 -5.987 1.00 5.96 H new ATOM 0 HH21 ARG A 17 -4.624 2.015 -9.519 1.00 5.82 H new ATOM 0 HH22 ARG A 17 -5.507 2.411 -8.042 1.00 5.82 H new ATOM 258 N ARG A 18 -0.781 -3.157 -8.068 1.00 0.43 N ATOM 259 CA ARG A 18 -1.347 -4.445 -8.564 1.00 0.45 C ATOM 260 C ARG A 18 -2.066 -5.173 -7.424 1.00 0.40 C ATOM 261 O ARG A 18 -2.838 -6.083 -7.654 1.00 0.69 O ATOM 262 CB ARG A 18 -0.210 -5.321 -9.091 1.00 0.43 C ATOM 263 CG ARG A 18 0.404 -4.657 -10.326 1.00 0.50 C ATOM 264 CD ARG A 18 0.108 -5.515 -11.557 1.00 1.35 C ATOM 265 NE ARG A 18 -1.351 -5.816 -11.596 1.00 3.05 N ATOM 266 CZ ARG A 18 -2.042 -5.499 -12.657 1.00 4.31 C ATOM 267 NH1 ARG A 18 -1.809 -6.132 -13.773 1.00 4.47 N ATOM 268 NH2 ARG A 18 -2.941 -4.558 -12.565 1.00 5.61 N ATOM 0 H ARG A 18 0.237 -3.095 -8.070 1.00 0.43 H new ATOM 0 HA ARG A 18 -2.060 -4.243 -9.363 1.00 0.45 H new ATOM 0 HB2 ARG A 18 0.549 -5.456 -8.320 1.00 0.43 H new ATOM 0 HB3 ARG A 18 -0.586 -6.312 -9.345 1.00 0.43 H new ATOM 0 HG2 ARG A 18 -0.007 -3.656 -10.458 1.00 0.50 H new ATOM 0 HG3 ARG A 18 1.480 -4.545 -10.196 1.00 0.50 H new ATOM 0 HD2 ARG A 18 0.409 -4.990 -12.464 1.00 1.35 H new ATOM 0 HD3 ARG A 18 0.683 -6.440 -11.519 1.00 1.35 H new ATOM 0 HE ARG A 18 -1.805 -6.266 -10.801 1.00 3.05 H new ATOM 0 HH11 ARG A 18 -1.097 -6.861 -13.807 1.00 4.47 H new ATOM 0 HH12 ARG A 18 -2.339 -5.898 -14.612 1.00 4.47 H new ATOM 0 HH21 ARG A 18 -3.094 -4.084 -11.675 1.00 5.61 H new ATOM 0 HH22 ARG A 18 -3.491 -4.296 -13.383 1.00 5.61 H new ATOM 282 N LEU A 19 -1.795 -4.756 -6.217 1.00 0.36 N ATOM 283 CA LEU A 19 -2.454 -5.410 -5.050 1.00 0.40 C ATOM 284 C LEU A 19 -3.976 -5.257 -5.149 1.00 0.51 C ATOM 285 O LEU A 19 -4.719 -6.005 -4.547 1.00 0.77 O ATOM 286 CB LEU A 19 -1.954 -4.753 -3.762 1.00 0.65 C ATOM 287 CG LEU A 19 -2.293 -5.655 -2.572 1.00 0.72 C ATOM 288 CD1 LEU A 19 -1.086 -6.539 -2.250 1.00 0.78 C ATOM 289 CD2 LEU A 19 -2.618 -4.784 -1.357 1.00 0.97 C ATOM 0 H LEU A 19 -1.152 -3.998 -5.989 1.00 0.36 H new ATOM 0 HA LEU A 19 -2.208 -6.472 -5.044 1.00 0.40 H new ATOM 0 HB2 LEU A 19 -0.877 -4.592 -3.816 1.00 0.65 H new ATOM 0 HB3 LEU A 19 -2.417 -3.774 -3.635 1.00 0.65 H new ATOM 0 HG LEU A 19 -3.152 -6.280 -2.817 1.00 0.72 H new ATOM 0 HD11 LEU A 19 -1.322 -7.183 -1.403 1.00 0.78 H new ATOM 0 HD12 LEU A 19 -0.844 -7.154 -3.117 1.00 0.78 H new ATOM 0 HD13 LEU A 19 -0.231 -5.911 -2.000 1.00 0.78 H new ATOM 0 HD21 LEU A 19 -2.860 -5.421 -0.507 1.00 0.97 H new ATOM 0 HD22 LEU A 19 -1.755 -4.165 -1.112 1.00 0.97 H new ATOM 0 HD23 LEU A 19 -3.471 -4.144 -1.585 1.00 0.97 H new ATOM 301 N LEU A 20 -4.405 -4.287 -5.910 1.00 0.40 N ATOM 302 CA LEU A 20 -5.873 -4.070 -6.062 1.00 0.56 C ATOM 303 C LEU A 20 -6.399 -4.840 -7.277 1.00 0.59 C ATOM 304 O LEU A 20 -7.555 -5.211 -7.329 1.00 0.73 O ATOM 305 CB LEU A 20 -6.141 -2.577 -6.252 1.00 0.91 C ATOM 306 CG LEU A 20 -6.072 -1.880 -4.892 1.00 1.08 C ATOM 307 CD1 LEU A 20 -5.509 -0.470 -5.079 1.00 1.46 C ATOM 308 CD2 LEU A 20 -7.481 -1.786 -4.302 1.00 1.00 C ATOM 0 H LEU A 20 -3.810 -3.641 -6.429 1.00 0.40 H new ATOM 0 HA LEU A 20 -6.383 -4.430 -5.168 1.00 0.56 H new ATOM 0 HB2 LEU A 20 -5.407 -2.147 -6.933 1.00 0.91 H new ATOM 0 HB3 LEU A 20 -7.122 -2.425 -6.703 1.00 0.91 H new ATOM 0 HG LEU A 20 -5.429 -2.447 -4.219 1.00 1.08 H new ATOM 0 HD11 LEU A 20 -5.457 0.032 -4.113 1.00 1.46 H new ATOM 0 HD12 LEU A 20 -4.510 -0.531 -5.510 1.00 1.46 H new ATOM 0 HD13 LEU A 20 -6.158 0.095 -5.748 1.00 1.46 H new ATOM 0 HD21 LEU A 20 -7.437 -1.290 -3.332 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -8.119 -1.213 -4.974 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -7.891 -2.788 -4.178 1.00 1.00 H new ATOM 320 N ALA A 21 -5.536 -5.067 -8.229 1.00 0.58 N ATOM 321 CA ALA A 21 -5.967 -5.812 -9.448 1.00 0.82 C ATOM 322 C ALA A 21 -5.646 -7.302 -9.299 1.00 0.75 C ATOM 323 O ALA A 21 -6.138 -8.124 -10.046 1.00 0.96 O ATOM 324 CB ALA A 21 -5.230 -5.252 -10.663 1.00 1.16 C ATOM 0 H ALA A 21 -4.560 -4.772 -8.218 1.00 0.58 H new ATOM 0 HA ALA A 21 -7.043 -5.695 -9.578 1.00 0.82 H new ATOM 0 HB1 ALA A 21 -5.540 -5.792 -11.558 1.00 1.16 H new ATOM 0 HB2 ALA A 21 -5.468 -4.194 -10.777 1.00 1.16 H new ATOM 0 HB3 ALA A 21 -4.155 -5.369 -10.523 1.00 1.16 H new ATOM 330 N GLU A 22 -4.827 -7.619 -8.333 1.00 0.58 N ATOM 331 CA GLU A 22 -4.463 -9.051 -8.122 1.00 0.79 C ATOM 332 C GLU A 22 -5.589 -9.778 -7.378 1.00 0.76 C ATOM 333 O GLU A 22 -5.945 -10.889 -7.719 1.00 1.08 O ATOM 334 CB GLU A 22 -3.178 -9.124 -7.297 1.00 0.84 C ATOM 335 CG GLU A 22 -2.618 -10.546 -7.366 1.00 1.24 C ATOM 336 CD GLU A 22 -1.685 -10.779 -6.176 1.00 0.33 C ATOM 337 OE1 GLU A 22 -0.760 -9.993 -6.052 1.00 1.24 O ATOM 338 OE2 GLU A 22 -1.950 -11.729 -5.458 1.00 0.90 O ATOM 0 H GLU A 22 -4.398 -6.957 -7.687 1.00 0.58 H new ATOM 0 HA GLU A 22 -4.312 -9.530 -9.089 1.00 0.79 H new ATOM 0 HB2 GLU A 22 -2.445 -8.413 -7.678 1.00 0.84 H new ATOM 0 HB3 GLU A 22 -3.380 -8.849 -6.262 1.00 0.84 H new ATOM 0 HG2 GLU A 22 -3.432 -11.271 -7.352 1.00 1.24 H new ATOM 0 HG3 GLU A 22 -2.077 -10.691 -8.301 1.00 1.24 H new ATOM 345 N HIS A 23 -6.125 -9.134 -6.376 1.00 0.47 N ATOM 346 CA HIS A 23 -7.229 -9.772 -5.600 1.00 0.61 C ATOM 347 C HIS A 23 -8.587 -9.287 -6.117 1.00 0.42 C ATOM 348 O HIS A 23 -9.620 -9.663 -5.601 1.00 0.45 O ATOM 349 CB HIS A 23 -7.086 -9.399 -4.125 1.00 0.79 C ATOM 350 CG HIS A 23 -5.669 -9.729 -3.653 1.00 0.95 C ATOM 351 ND1 HIS A 23 -5.123 -10.853 -3.747 1.00 1.14 N ATOM 352 CD2 HIS A 23 -4.728 -8.916 -3.049 1.00 1.00 C ATOM 353 CE1 HIS A 23 -3.945 -10.835 -3.270 1.00 1.24 C ATOM 354 NE2 HIS A 23 -3.607 -9.638 -2.800 1.00 1.15 N ATOM 0 H HIS A 23 -5.850 -8.203 -6.063 1.00 0.47 H new ATOM 0 HA HIS A 23 -7.171 -10.854 -5.718 1.00 0.61 H new ATOM 0 HB2 HIS A 23 -7.290 -8.337 -3.986 1.00 0.79 H new ATOM 0 HB3 HIS A 23 -7.817 -9.945 -3.528 1.00 0.79 H new ATOM 0 HD2 HIS A 23 -4.864 -7.871 -2.813 1.00 1.00 H new ATOM 0 HE1 HIS A 23 -3.292 -11.695 -3.249 1.00 1.24 H new ATOM 0 HE2 HIS A 23 -2.733 -9.340 -2.366 1.00 1.15 H new ATOM 362 N ASN A 24 -8.554 -8.459 -7.126 1.00 0.27 N ATOM 363 CA ASN A 24 -9.834 -7.937 -7.688 1.00 0.11 C ATOM 364 C ASN A 24 -10.630 -7.209 -6.600 1.00 0.32 C ATOM 365 O ASN A 24 -11.396 -7.818 -5.877 1.00 0.91 O ATOM 366 CB ASN A 24 -10.659 -9.104 -8.229 1.00 0.17 C ATOM 367 CG ASN A 24 -9.742 -10.061 -8.995 1.00 1.14 C ATOM 368 OD1 ASN A 24 -8.993 -9.659 -9.864 1.00 1.75 O ATOM 369 ND2 ASN A 24 -9.770 -11.332 -8.704 1.00 2.31 N ATOM 0 H ASN A 24 -7.706 -8.124 -7.582 1.00 0.27 H new ATOM 0 HA ASN A 24 -9.613 -7.236 -8.493 1.00 0.11 H new ATOM 0 HB2 ASN A 24 -11.148 -9.629 -7.409 1.00 0.17 H new ATOM 0 HB3 ASN A 24 -11.447 -8.734 -8.885 1.00 0.17 H new ATOM 0 HD21 ASN A 24 -9.165 -11.983 -9.205 1.00 2.31 H new ATOM 0 HD22 ASN A 24 -10.397 -11.675 -7.976 1.00 2.31 H new ATOM 376 N LEU A 25 -10.428 -5.921 -6.507 1.00 0.23 N ATOM 377 CA LEU A 25 -11.161 -5.127 -5.474 1.00 0.25 C ATOM 378 C LEU A 25 -11.666 -3.813 -6.078 1.00 0.12 C ATOM 379 O LEU A 25 -10.902 -3.047 -6.631 1.00 0.29 O ATOM 380 CB LEU A 25 -10.213 -4.821 -4.314 1.00 0.63 C ATOM 381 CG LEU A 25 -10.298 -5.947 -3.280 1.00 0.72 C ATOM 382 CD1 LEU A 25 -8.975 -6.028 -2.515 1.00 1.05 C ATOM 383 CD2 LEU A 25 -11.430 -5.643 -2.295 1.00 1.10 C ATOM 0 H LEU A 25 -9.791 -5.386 -7.097 1.00 0.23 H new ATOM 0 HA LEU A 25 -12.015 -5.703 -5.117 1.00 0.25 H new ATOM 0 HB2 LEU A 25 -9.191 -4.725 -4.680 1.00 0.63 H new ATOM 0 HB3 LEU A 25 -10.478 -3.869 -3.854 1.00 0.63 H new ATOM 0 HG LEU A 25 -10.492 -6.894 -3.783 1.00 0.72 H new ATOM 0 HD11 LEU A 25 -9.030 -6.828 -1.777 1.00 1.05 H new ATOM 0 HD12 LEU A 25 -8.163 -6.233 -3.213 1.00 1.05 H new ATOM 0 HD13 LEU A 25 -8.788 -5.081 -2.009 1.00 1.05 H new ATOM 0 HD21 LEU A 25 -11.494 -6.442 -1.557 1.00 1.10 H new ATOM 0 HD22 LEU A 25 -11.229 -4.698 -1.790 1.00 1.10 H new ATOM 0 HD23 LEU A 25 -12.374 -5.572 -2.836 1.00 1.10 H new ATOM 395 N ASP A 26 -12.945 -3.582 -5.958 1.00 0.19 N ATOM 396 CA ASP A 26 -13.518 -2.325 -6.521 1.00 0.42 C ATOM 397 C ASP A 26 -13.358 -1.176 -5.520 1.00 0.48 C ATOM 398 O ASP A 26 -14.233 -0.924 -4.715 1.00 0.72 O ATOM 399 CB ASP A 26 -15.002 -2.541 -6.815 1.00 0.59 C ATOM 400 CG ASP A 26 -15.167 -3.010 -8.261 1.00 0.92 C ATOM 401 OD1 ASP A 26 -14.960 -4.194 -8.472 1.00 1.75 O ATOM 402 OD2 ASP A 26 -15.491 -2.159 -9.073 1.00 1.52 O ATOM 0 H ASP A 26 -13.613 -4.202 -5.499 1.00 0.19 H new ATOM 0 HA ASP A 26 -12.989 -2.069 -7.439 1.00 0.42 H new ATOM 0 HB2 ASP A 26 -15.416 -3.282 -6.131 1.00 0.59 H new ATOM 0 HB3 ASP A 26 -15.555 -1.615 -6.655 1.00 0.59 H new ATOM 407 N ALA A 27 -12.242 -0.503 -5.592 1.00 0.39 N ATOM 408 CA ALA A 27 -12.010 0.633 -4.651 1.00 0.41 C ATOM 409 C ALA A 27 -13.231 1.559 -4.632 1.00 0.44 C ATOM 410 O ALA A 27 -13.410 2.336 -3.715 1.00 0.49 O ATOM 411 CB ALA A 27 -10.783 1.420 -5.111 1.00 0.38 C ATOM 0 H ALA A 27 -11.488 -0.686 -6.253 1.00 0.39 H new ATOM 0 HA ALA A 27 -11.847 0.241 -3.647 1.00 0.41 H new ATOM 0 HB1 ALA A 27 -10.607 2.252 -4.429 1.00 0.38 H new ATOM 0 HB2 ALA A 27 -9.912 0.765 -5.117 1.00 0.38 H new ATOM 0 HB3 ALA A 27 -10.954 1.806 -6.116 1.00 0.38 H new ATOM 417 N SER A 28 -14.045 1.454 -5.646 1.00 0.45 N ATOM 418 CA SER A 28 -15.259 2.321 -5.703 1.00 0.50 C ATOM 419 C SER A 28 -15.983 2.302 -4.354 1.00 0.37 C ATOM 420 O SER A 28 -16.631 3.259 -3.981 1.00 0.40 O ATOM 421 CB SER A 28 -16.196 1.799 -6.791 1.00 0.65 C ATOM 422 OG SER A 28 -16.884 0.723 -6.169 1.00 2.10 O ATOM 0 H SER A 28 -13.926 0.813 -6.431 1.00 0.45 H new ATOM 0 HA SER A 28 -14.960 3.344 -5.930 1.00 0.50 H new ATOM 0 HB2 SER A 28 -16.887 2.572 -7.127 1.00 0.65 H new ATOM 0 HB3 SER A 28 -15.641 1.464 -7.668 1.00 0.65 H new ATOM 0 HG SER A 28 -17.515 0.327 -6.805 1.00 2.10 H new ATOM 428 N ALA A 29 -15.856 1.210 -3.651 1.00 0.29 N ATOM 429 CA ALA A 29 -16.530 1.110 -2.324 1.00 0.29 C ATOM 430 C ALA A 29 -15.580 1.571 -1.213 1.00 0.19 C ATOM 431 O ALA A 29 -16.011 1.962 -0.146 1.00 0.24 O ATOM 432 CB ALA A 29 -16.935 -0.341 -2.076 1.00 0.48 C ATOM 0 H ALA A 29 -15.320 0.389 -3.934 1.00 0.29 H new ATOM 0 HA ALA A 29 -17.414 1.748 -2.321 1.00 0.29 H new ATOM 0 HB1 ALA A 29 -17.428 -0.421 -1.107 1.00 0.48 H new ATOM 0 HB2 ALA A 29 -17.619 -0.667 -2.859 1.00 0.48 H new ATOM 0 HB3 ALA A 29 -16.047 -0.973 -2.084 1.00 0.48 H new ATOM 438 N ILE A 30 -14.306 1.517 -1.488 1.00 0.15 N ATOM 439 CA ILE A 30 -13.315 1.949 -0.459 1.00 0.18 C ATOM 440 C ILE A 30 -13.016 3.444 -0.611 1.00 0.36 C ATOM 441 O ILE A 30 -12.554 3.886 -1.644 1.00 0.63 O ATOM 442 CB ILE A 30 -12.016 1.148 -0.643 1.00 0.18 C ATOM 443 CG1 ILE A 30 -12.324 -0.366 -0.606 1.00 0.26 C ATOM 444 CG2 ILE A 30 -11.025 1.515 0.474 1.00 0.28 C ATOM 445 CD1 ILE A 30 -13.098 -0.726 0.674 1.00 0.39 C ATOM 0 H ILE A 30 -13.910 1.196 -2.371 1.00 0.15 H new ATOM 0 HA ILE A 30 -13.726 1.768 0.534 1.00 0.18 H new ATOM 0 HB ILE A 30 -11.572 1.392 -1.608 1.00 0.18 H new ATOM 0 HG12 ILE A 30 -12.908 -0.646 -1.483 1.00 0.26 H new ATOM 0 HG13 ILE A 30 -11.394 -0.934 -0.648 1.00 0.26 H new ATOM 0 HG21 ILE A 30 -10.104 0.947 0.344 1.00 0.28 H new ATOM 0 HG22 ILE A 30 -10.804 2.581 0.428 1.00 0.28 H new ATOM 0 HG23 ILE A 30 -11.464 1.277 1.443 1.00 0.28 H new ATOM 0 HD11 ILE A 30 -13.307 -1.796 0.684 1.00 0.39 H new ATOM 0 HD12 ILE A 30 -12.499 -0.465 1.547 1.00 0.39 H new ATOM 0 HD13 ILE A 30 -14.037 -0.173 0.699 1.00 0.39 H new ATOM 457 N LYS A 31 -13.289 4.189 0.425 1.00 0.44 N ATOM 458 CA LYS A 31 -13.030 5.657 0.363 1.00 0.56 C ATOM 459 C LYS A 31 -11.587 5.956 0.786 1.00 0.27 C ATOM 460 O LYS A 31 -11.047 5.309 1.660 1.00 0.10 O ATOM 461 CB LYS A 31 -13.995 6.383 1.305 1.00 0.90 C ATOM 462 CG LYS A 31 -14.671 5.359 2.229 1.00 0.47 C ATOM 463 CD LYS A 31 -15.550 6.091 3.254 1.00 0.39 C ATOM 464 CE LYS A 31 -16.949 6.287 2.665 1.00 1.09 C ATOM 465 NZ LYS A 31 -17.605 7.481 3.266 1.00 1.60 N ATOM 0 H LYS A 31 -13.677 3.849 1.305 1.00 0.44 H new ATOM 0 HA LYS A 31 -13.181 6.002 -0.660 1.00 0.56 H new ATOM 0 HB2 LYS A 31 -13.456 7.123 1.896 1.00 0.90 H new ATOM 0 HB3 LYS A 31 -14.747 6.922 0.729 1.00 0.90 H new ATOM 0 HG2 LYS A 31 -15.277 4.669 1.642 1.00 0.47 H new ATOM 0 HG3 LYS A 31 -13.916 4.763 2.742 1.00 0.47 H new ATOM 0 HD2 LYS A 31 -15.608 5.516 4.178 1.00 0.39 H new ATOM 0 HD3 LYS A 31 -15.110 7.056 3.506 1.00 0.39 H new ATOM 0 HE2 LYS A 31 -16.881 6.408 1.584 1.00 1.09 H new ATOM 0 HE3 LYS A 31 -17.555 5.400 2.849 1.00 1.09 H new ATOM 0 HZ1 LYS A 31 -18.553 7.600 2.855 1.00 1.60 H new ATOM 0 HZ2 LYS A 31 -17.687 7.351 4.295 1.00 1.60 H new ATOM 0 HZ3 LYS A 31 -17.034 8.327 3.068 1.00 1.60 H new ATOM 479 N GLY A 32 -10.997 6.935 0.155 1.00 0.40 N ATOM 480 CA GLY A 32 -9.592 7.290 0.508 1.00 0.33 C ATOM 481 C GLY A 32 -9.570 8.433 1.524 1.00 0.41 C ATOM 482 O GLY A 32 -9.831 9.570 1.185 1.00 0.59 O ATOM 0 H GLY A 32 -11.421 7.499 -0.582 1.00 0.40 H new ATOM 0 HA2 GLY A 32 -9.083 6.419 0.920 1.00 0.33 H new ATOM 0 HA3 GLY A 32 -9.048 7.583 -0.390 1.00 0.33 H new ATOM 486 N THR A 33 -9.258 8.102 2.751 1.00 0.61 N ATOM 487 CA THR A 33 -9.209 9.154 3.812 1.00 0.89 C ATOM 488 C THR A 33 -7.752 9.490 4.156 1.00 1.29 C ATOM 489 O THR A 33 -7.408 9.658 5.307 1.00 2.14 O ATOM 490 CB THR A 33 -9.920 8.634 5.063 1.00 1.03 C ATOM 491 OG1 THR A 33 -9.447 7.301 5.222 1.00 1.23 O ATOM 492 CG2 THR A 33 -11.425 8.504 4.839 1.00 0.81 C ATOM 0 H THR A 33 -9.037 7.156 3.063 1.00 0.61 H new ATOM 0 HA THR A 33 -9.703 10.055 3.449 1.00 0.89 H new ATOM 0 HB THR A 33 -9.735 9.305 5.902 1.00 1.03 H new ATOM 0 HG1 THR A 33 -9.862 6.899 6.013 1.00 1.23 H new ATOM 0 HG21 THR A 33 -11.897 8.132 5.748 1.00 0.81 H new ATOM 0 HG22 THR A 33 -11.841 9.479 4.587 1.00 0.81 H new ATOM 0 HG23 THR A 33 -11.612 7.807 4.022 1.00 0.81 H new ATOM 500 N GLY A 34 -6.930 9.579 3.145 1.00 0.69 N ATOM 501 CA GLY A 34 -5.496 9.901 3.395 1.00 1.02 C ATOM 502 C GLY A 34 -5.366 11.247 4.114 1.00 1.70 C ATOM 503 O GLY A 34 -6.351 11.845 4.501 1.00 1.94 O ATOM 0 H GLY A 34 -7.186 9.444 2.167 1.00 0.69 H new ATOM 0 HA2 GLY A 34 -5.040 9.115 3.997 1.00 1.02 H new ATOM 0 HA3 GLY A 34 -4.954 9.933 2.450 1.00 1.02 H new ATOM 507 N VAL A 35 -4.150 11.694 4.278 1.00 2.00 N ATOM 508 CA VAL A 35 -3.934 13.000 4.969 1.00 2.67 C ATOM 509 C VAL A 35 -4.849 14.073 4.371 1.00 3.05 C ATOM 510 O VAL A 35 -5.161 15.054 5.019 1.00 4.16 O ATOM 511 CB VAL A 35 -2.476 13.421 4.794 1.00 2.57 C ATOM 512 CG1 VAL A 35 -2.264 14.789 5.445 1.00 3.16 C ATOM 513 CG2 VAL A 35 -1.571 12.394 5.477 1.00 2.43 C ATOM 0 H VAL A 35 -3.303 11.217 3.967 1.00 2.00 H new ATOM 0 HA VAL A 35 -4.166 12.889 6.028 1.00 2.67 H new ATOM 0 HB VAL A 35 -2.235 13.478 3.733 1.00 2.57 H new ATOM 0 HG11 VAL A 35 -1.225 15.093 5.322 1.00 3.16 H new ATOM 0 HG12 VAL A 35 -2.915 15.523 4.970 1.00 3.16 H new ATOM 0 HG13 VAL A 35 -2.501 14.727 6.507 1.00 3.16 H new ATOM 0 HG21 VAL A 35 -0.529 12.689 5.355 1.00 2.43 H new ATOM 0 HG22 VAL A 35 -1.813 12.345 6.539 1.00 2.43 H new ATOM 0 HG23 VAL A 35 -1.726 11.415 5.024 1.00 2.43 H new ATOM 523 N GLY A 36 -5.255 13.860 3.146 1.00 2.36 N ATOM 524 CA GLY A 36 -6.152 14.851 2.478 1.00 2.66 C ATOM 525 C GLY A 36 -7.322 14.136 1.797 1.00 2.59 C ATOM 526 O GLY A 36 -8.392 14.692 1.651 1.00 3.34 O ATOM 0 H GLY A 36 -5.006 13.048 2.582 1.00 2.36 H new ATOM 0 HA2 GLY A 36 -6.530 15.562 3.212 1.00 2.66 H new ATOM 0 HA3 GLY A 36 -5.588 15.423 1.741 1.00 2.66 H new ATOM 530 N GLY A 37 -7.093 12.916 1.394 1.00 1.82 N ATOM 531 CA GLY A 37 -8.182 12.152 0.722 1.00 1.67 C ATOM 532 C GLY A 37 -7.592 11.103 -0.223 1.00 1.48 C ATOM 533 O GLY A 37 -8.279 10.202 -0.661 1.00 1.88 O ATOM 0 H GLY A 37 -6.208 12.419 1.499 1.00 1.82 H new ATOM 0 HA2 GLY A 37 -8.809 11.666 1.470 1.00 1.67 H new ATOM 0 HA3 GLY A 37 -8.823 12.834 0.164 1.00 1.67 H new ATOM 537 N ARG A 38 -6.328 11.244 -0.518 1.00 1.05 N ATOM 538 CA ARG A 38 -5.675 10.265 -1.437 1.00 0.85 C ATOM 539 C ARG A 38 -6.037 8.831 -1.033 1.00 0.60 C ATOM 540 O ARG A 38 -6.384 8.573 0.103 1.00 0.59 O ATOM 541 CB ARG A 38 -4.160 10.447 -1.363 1.00 0.83 C ATOM 542 CG ARG A 38 -3.828 11.936 -1.482 1.00 1.77 C ATOM 543 CD ARG A 38 -2.354 12.092 -1.861 1.00 1.56 C ATOM 544 NE ARG A 38 -2.039 13.541 -2.001 1.00 2.74 N ATOM 545 CZ ARG A 38 -0.957 13.903 -2.635 1.00 2.97 C ATOM 546 NH1 ARG A 38 -0.987 13.987 -3.937 1.00 2.93 N ATOM 547 NH2 ARG A 38 0.119 14.168 -1.946 1.00 3.71 N ATOM 0 H ARG A 38 -5.723 11.987 -0.167 1.00 1.05 H new ATOM 0 HA ARG A 38 -6.024 10.441 -2.454 1.00 0.85 H new ATOM 0 HB2 ARG A 38 -3.779 10.051 -0.422 1.00 0.83 H new ATOM 0 HB3 ARG A 38 -3.675 9.888 -2.163 1.00 0.83 H new ATOM 0 HG2 ARG A 38 -4.461 12.403 -2.236 1.00 1.77 H new ATOM 0 HG3 ARG A 38 -4.029 12.443 -0.538 1.00 1.77 H new ATOM 0 HD2 ARG A 38 -1.720 11.641 -1.098 1.00 1.56 H new ATOM 0 HD3 ARG A 38 -2.149 11.570 -2.796 1.00 1.56 H new ATOM 0 HE ARG A 38 -2.663 14.244 -1.605 1.00 2.74 H new ATOM 0 HH11 ARG A 38 -1.846 13.771 -4.442 1.00 2.93 H new ATOM 0 HH12 ARG A 38 -0.151 14.268 -4.449 1.00 2.93 H new ATOM 0 HH21 ARG A 38 0.105 14.091 -0.929 1.00 3.71 H new ATOM 0 HH22 ARG A 38 0.974 14.452 -2.424 1.00 3.71 H new ATOM 561 N LEU A 39 -5.945 7.931 -1.977 1.00 0.58 N ATOM 562 CA LEU A 39 -6.279 6.505 -1.676 1.00 0.40 C ATOM 563 C LEU A 39 -4.993 5.691 -1.489 1.00 0.24 C ATOM 564 O LEU A 39 -4.333 5.341 -2.448 1.00 0.59 O ATOM 565 CB LEU A 39 -7.088 5.927 -2.845 1.00 0.74 C ATOM 566 CG LEU A 39 -7.535 4.492 -2.516 1.00 0.81 C ATOM 567 CD1 LEU A 39 -8.483 4.505 -1.311 1.00 0.75 C ATOM 568 CD2 LEU A 39 -8.274 3.911 -3.722 1.00 1.33 C ATOM 0 H LEU A 39 -5.655 8.118 -2.937 1.00 0.58 H new ATOM 0 HA LEU A 39 -6.863 6.454 -0.757 1.00 0.40 H new ATOM 0 HB2 LEU A 39 -7.959 6.553 -3.040 1.00 0.74 H new ATOM 0 HB3 LEU A 39 -6.484 5.930 -3.753 1.00 0.74 H new ATOM 0 HG LEU A 39 -6.660 3.886 -2.282 1.00 0.81 H new ATOM 0 HD11 LEU A 39 -8.796 3.486 -1.083 1.00 0.75 H new ATOM 0 HD12 LEU A 39 -7.969 4.928 -0.448 1.00 0.75 H new ATOM 0 HD13 LEU A 39 -9.359 5.110 -1.544 1.00 0.75 H new ATOM 0 HD21 LEU A 39 -8.594 2.894 -3.497 1.00 1.33 H new ATOM 0 HD22 LEU A 39 -9.146 4.525 -3.945 1.00 1.33 H new ATOM 0 HD23 LEU A 39 -7.609 3.899 -4.585 1.00 1.33 H new ATOM 580 N THR A 40 -4.667 5.408 -0.256 1.00 0.31 N ATOM 581 CA THR A 40 -3.428 4.617 0.018 1.00 0.46 C ATOM 582 C THR A 40 -3.784 3.149 0.277 1.00 0.42 C ATOM 583 O THR A 40 -4.805 2.666 -0.172 1.00 0.48 O ATOM 584 CB THR A 40 -2.727 5.198 1.247 1.00 0.78 C ATOM 585 OG1 THR A 40 -3.306 4.513 2.354 1.00 1.08 O ATOM 586 CG2 THR A 40 -3.082 6.668 1.452 1.00 0.50 C ATOM 0 H THR A 40 -5.199 5.687 0.568 1.00 0.31 H new ATOM 0 HA THR A 40 -2.767 4.671 -0.847 1.00 0.46 H new ATOM 0 HB THR A 40 -1.647 5.097 1.141 1.00 0.78 H new ATOM 0 HG1 THR A 40 -4.260 4.731 2.411 1.00 1.08 H new ATOM 0 HG21 THR A 40 -2.566 7.047 2.334 1.00 0.50 H new ATOM 0 HG22 THR A 40 -2.775 7.242 0.577 1.00 0.50 H new ATOM 0 HG23 THR A 40 -4.159 6.766 1.591 1.00 0.50 H new ATOM 594 N ARG A 41 -2.934 2.469 0.998 1.00 0.45 N ATOM 595 CA ARG A 41 -3.210 1.032 1.296 1.00 0.58 C ATOM 596 C ARG A 41 -3.896 0.897 2.660 1.00 0.53 C ATOM 597 O ARG A 41 -4.677 -0.007 2.878 1.00 0.79 O ATOM 598 CB ARG A 41 -1.892 0.260 1.310 1.00 0.80 C ATOM 599 CG ARG A 41 -2.175 -1.207 1.645 1.00 0.91 C ATOM 600 CD ARG A 41 -1.761 -1.482 3.092 1.00 1.87 C ATOM 601 NE ARG A 41 -0.275 -1.546 3.169 1.00 1.04 N ATOM 602 CZ ARG A 41 0.290 -2.461 3.908 1.00 1.28 C ATOM 603 NH1 ARG A 41 -0.019 -2.529 5.175 1.00 2.52 N ATOM 604 NH2 ARG A 41 1.144 -3.280 3.356 1.00 0.86 N ATOM 0 H ARG A 41 -2.069 2.840 1.391 1.00 0.45 H new ATOM 0 HA ARG A 41 -3.869 0.627 0.528 1.00 0.58 H new ATOM 0 HB2 ARG A 41 -1.401 0.336 0.340 1.00 0.80 H new ATOM 0 HB3 ARG A 41 -1.212 0.690 2.046 1.00 0.80 H new ATOM 0 HG2 ARG A 41 -3.234 -1.425 1.510 1.00 0.91 H new ATOM 0 HG3 ARG A 41 -1.626 -1.860 0.967 1.00 0.91 H new ATOM 0 HD2 ARG A 41 -2.138 -0.697 3.747 1.00 1.87 H new ATOM 0 HD3 ARG A 41 -2.196 -2.420 3.436 1.00 1.87 H new ATOM 0 HE ARG A 41 0.296 -0.880 2.648 1.00 1.04 H new ATOM 0 HH11 ARG A 41 -0.692 -1.873 5.572 1.00 2.52 H new ATOM 0 HH12 ARG A 41 0.413 -3.238 5.768 1.00 2.52 H new ATOM 0 HH21 ARG A 41 1.360 -3.198 2.362 1.00 0.86 H new ATOM 0 HH22 ARG A 41 1.595 -4.001 3.918 1.00 0.86 H new ATOM 618 N GLU A 42 -3.586 1.801 3.549 1.00 0.30 N ATOM 619 CA GLU A 42 -4.211 1.741 4.903 1.00 0.24 C ATOM 620 C GLU A 42 -5.736 1.672 4.778 1.00 0.25 C ATOM 621 O GLU A 42 -6.400 1.045 5.579 1.00 0.71 O ATOM 622 CB GLU A 42 -3.821 2.992 5.689 1.00 0.41 C ATOM 623 CG GLU A 42 -2.934 2.588 6.869 1.00 0.25 C ATOM 624 CD GLU A 42 -3.762 1.780 7.871 1.00 1.85 C ATOM 625 OE1 GLU A 42 -4.938 2.090 7.975 1.00 2.88 O ATOM 626 OE2 GLU A 42 -3.172 0.901 8.475 1.00 2.54 O ATOM 0 H GLU A 42 -2.934 2.571 3.400 1.00 0.30 H new ATOM 0 HA GLU A 42 -3.859 0.850 5.422 1.00 0.24 H new ATOM 0 HB2 GLU A 42 -3.291 3.692 5.043 1.00 0.41 H new ATOM 0 HB3 GLU A 42 -4.714 3.504 6.048 1.00 0.41 H new ATOM 0 HG2 GLU A 42 -2.089 1.996 6.518 1.00 0.25 H new ATOM 0 HG3 GLU A 42 -2.524 3.475 7.351 1.00 0.25 H new ATOM 633 N ASP A 43 -6.259 2.322 3.773 1.00 0.48 N ATOM 634 CA ASP A 43 -7.739 2.308 3.580 1.00 0.44 C ATOM 635 C ASP A 43 -8.201 0.923 3.117 1.00 0.37 C ATOM 636 O ASP A 43 -9.128 0.358 3.666 1.00 0.36 O ATOM 637 CB ASP A 43 -8.115 3.350 2.529 1.00 0.42 C ATOM 638 CG ASP A 43 -7.643 4.729 2.991 1.00 0.55 C ATOM 639 OD1 ASP A 43 -6.446 4.948 2.905 1.00 1.20 O ATOM 640 OD2 ASP A 43 -8.505 5.485 3.406 1.00 0.96 O ATOM 0 H ASP A 43 -5.732 2.857 3.083 1.00 0.48 H new ATOM 0 HA ASP A 43 -8.227 2.542 4.526 1.00 0.44 H new ATOM 0 HB2 ASP A 43 -7.658 3.099 1.572 1.00 0.42 H new ATOM 0 HB3 ASP A 43 -9.194 3.355 2.376 1.00 0.42 H new ATOM 645 N VAL A 44 -7.546 0.405 2.114 1.00 0.41 N ATOM 646 CA VAL A 44 -7.934 -0.942 1.601 1.00 0.35 C ATOM 647 C VAL A 44 -7.374 -2.036 2.516 1.00 0.35 C ATOM 648 O VAL A 44 -7.729 -3.192 2.396 1.00 0.33 O ATOM 649 CB VAL A 44 -7.374 -1.120 0.192 1.00 0.45 C ATOM 650 CG1 VAL A 44 -8.156 -2.223 -0.525 1.00 0.73 C ATOM 651 CG2 VAL A 44 -7.530 0.190 -0.581 1.00 0.48 C ATOM 0 H VAL A 44 -6.766 0.850 1.631 1.00 0.41 H new ATOM 0 HA VAL A 44 -9.021 -1.021 1.581 1.00 0.35 H new ATOM 0 HB VAL A 44 -6.320 -1.392 0.247 1.00 0.45 H new ATOM 0 HG11 VAL A 44 -7.760 -2.354 -1.532 1.00 0.73 H new ATOM 0 HG12 VAL A 44 -8.058 -3.157 0.028 1.00 0.73 H new ATOM 0 HG13 VAL A 44 -9.208 -1.944 -0.582 1.00 0.73 H new ATOM 0 HG21 VAL A 44 -7.131 0.068 -1.588 1.00 0.48 H new ATOM 0 HG22 VAL A 44 -8.586 0.455 -0.638 1.00 0.48 H new ATOM 0 HG23 VAL A 44 -6.984 0.982 -0.068 1.00 0.48 H new ATOM 661 N GLU A 45 -6.511 -1.646 3.413 1.00 0.56 N ATOM 662 CA GLU A 45 -5.918 -2.650 4.345 1.00 0.62 C ATOM 663 C GLU A 45 -7.018 -3.292 5.195 1.00 0.37 C ATOM 664 O GLU A 45 -7.238 -4.485 5.134 1.00 0.38 O ATOM 665 CB GLU A 45 -4.911 -1.950 5.256 1.00 0.85 C ATOM 666 CG GLU A 45 -4.429 -2.937 6.323 1.00 0.98 C ATOM 667 CD GLU A 45 -3.186 -2.369 7.010 1.00 1.44 C ATOM 668 OE1 GLU A 45 -3.077 -1.155 7.012 1.00 2.61 O ATOM 669 OE2 GLU A 45 -2.416 -3.183 7.492 1.00 1.35 O ATOM 0 H GLU A 45 -6.192 -0.686 3.542 1.00 0.56 H new ATOM 0 HA GLU A 45 -5.419 -3.429 3.768 1.00 0.62 H new ATOM 0 HB2 GLU A 45 -4.066 -1.585 4.672 1.00 0.85 H new ATOM 0 HB3 GLU A 45 -5.371 -1.082 5.728 1.00 0.85 H new ATOM 0 HG2 GLU A 45 -5.216 -3.111 7.056 1.00 0.98 H new ATOM 0 HG3 GLU A 45 -4.199 -3.900 5.867 1.00 0.98 H new ATOM 676 N LYS A 46 -7.688 -2.484 5.973 1.00 0.39 N ATOM 677 CA LYS A 46 -8.777 -3.030 6.834 1.00 0.31 C ATOM 678 C LYS A 46 -9.723 -3.904 6.002 1.00 0.50 C ATOM 679 O LYS A 46 -10.534 -4.632 6.539 1.00 1.02 O ATOM 680 CB LYS A 46 -9.558 -1.869 7.447 1.00 0.39 C ATOM 681 CG LYS A 46 -8.574 -0.852 8.026 1.00 0.90 C ATOM 682 CD LYS A 46 -9.325 0.100 8.959 1.00 0.83 C ATOM 683 CE LYS A 46 -8.417 1.283 9.305 1.00 2.15 C ATOM 684 NZ LYS A 46 -7.978 1.984 8.066 1.00 3.46 N ATOM 0 H LYS A 46 -7.531 -1.479 6.050 1.00 0.39 H new ATOM 0 HA LYS A 46 -8.339 -3.641 7.624 1.00 0.31 H new ATOM 0 HB2 LYS A 46 -10.185 -1.397 6.690 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -10.223 -2.235 8.229 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -7.781 -1.365 8.571 1.00 0.90 H new ATOM 0 HG3 LYS A 46 -8.097 -0.291 7.222 1.00 0.90 H new ATOM 0 HD2 LYS A 46 -10.238 0.454 8.480 1.00 0.83 H new ATOM 0 HD3 LYS A 46 -9.624 -0.422 9.868 1.00 0.83 H new ATOM 0 HE2 LYS A 46 -8.948 1.979 9.955 1.00 2.15 H new ATOM 0 HE3 LYS A 46 -7.546 0.931 9.859 1.00 2.15 H new ATOM 0 HZ1 LYS A 46 -8.084 3.011 8.192 1.00 3.46 H new ATOM 0 HZ2 LYS A 46 -6.981 1.759 7.875 1.00 3.46 H new ATOM 0 HZ3 LYS A 46 -8.563 1.672 7.265 1.00 3.46 H new ATOM 698 N HIS A 47 -9.598 -3.811 4.706 1.00 0.30 N ATOM 699 CA HIS A 47 -10.478 -4.630 3.822 1.00 0.54 C ATOM 700 C HIS A 47 -9.768 -5.931 3.431 1.00 0.91 C ATOM 701 O HIS A 47 -10.400 -6.944 3.205 1.00 1.17 O ATOM 702 CB HIS A 47 -10.807 -3.829 2.563 1.00 0.36 C ATOM 703 CG HIS A 47 -12.181 -4.251 2.038 1.00 0.44 C ATOM 704 ND1 HIS A 47 -13.275 -3.784 2.435 1.00 0.43 N ATOM 705 CD2 HIS A 47 -12.510 -5.181 1.071 1.00 0.60 C ATOM 706 CE1 HIS A 47 -14.253 -4.317 1.823 1.00 0.57 C ATOM 707 NE2 HIS A 47 -13.859 -5.223 0.932 1.00 0.69 N ATOM 0 H HIS A 47 -8.931 -3.209 4.223 1.00 0.30 H new ATOM 0 HA HIS A 47 -11.396 -4.876 4.355 1.00 0.54 H new ATOM 0 HB2 HIS A 47 -10.802 -2.762 2.786 1.00 0.36 H new ATOM 0 HB3 HIS A 47 -10.046 -3.999 1.801 1.00 0.36 H new ATOM 0 HD2 HIS A 47 -11.805 -5.780 0.514 1.00 0.60 H new ATOM 0 HE1 HIS A 47 -15.287 -4.063 2.006 1.00 0.57 H new ATOM 0 HE2 HIS A 47 -14.424 -5.799 0.307 1.00 0.69 H new ATOM 715 N LEU A 48 -8.465 -5.873 3.358 1.00 1.04 N ATOM 716 CA LEU A 48 -7.695 -7.095 2.985 1.00 1.46 C ATOM 717 C LEU A 48 -7.291 -7.868 4.245 1.00 2.12 C ATOM 718 O LEU A 48 -6.800 -8.976 4.168 1.00 2.67 O ATOM 719 CB LEU A 48 -6.439 -6.681 2.219 1.00 1.66 C ATOM 720 CG LEU A 48 -6.773 -6.559 0.730 1.00 1.17 C ATOM 721 CD1 LEU A 48 -5.840 -5.530 0.089 1.00 1.70 C ATOM 722 CD2 LEU A 48 -6.566 -7.915 0.054 1.00 1.23 C ATOM 0 H LEU A 48 -7.905 -5.040 3.539 1.00 1.04 H new ATOM 0 HA LEU A 48 -8.318 -7.736 2.360 1.00 1.46 H new ATOM 0 HB2 LEU A 48 -6.064 -5.731 2.599 1.00 1.66 H new ATOM 0 HB3 LEU A 48 -5.649 -7.417 2.367 1.00 1.66 H new ATOM 0 HG LEU A 48 -7.809 -6.243 0.610 1.00 1.17 H new ATOM 0 HD11 LEU A 48 -6.073 -5.439 -0.972 1.00 1.70 H new ATOM 0 HD12 LEU A 48 -5.975 -4.564 0.575 1.00 1.70 H new ATOM 0 HD13 LEU A 48 -4.806 -5.853 0.207 1.00 1.70 H new ATOM 0 HD21 LEU A 48 -6.803 -7.833 -1.007 1.00 1.23 H new ATOM 0 HD22 LEU A 48 -5.528 -8.225 0.171 1.00 1.23 H new ATOM 0 HD23 LEU A 48 -7.220 -8.655 0.515 1.00 1.23 H new ATOM 734 N ALA A 49 -7.507 -7.262 5.380 1.00 2.49 N ATOM 735 CA ALA A 49 -7.143 -7.942 6.658 1.00 3.12 C ATOM 736 C ALA A 49 -8.003 -9.194 6.857 1.00 2.02 C ATOM 737 O ALA A 49 -9.059 -9.326 6.270 1.00 0.92 O ATOM 738 CB ALA A 49 -7.373 -6.976 7.818 1.00 4.09 C ATOM 0 H ALA A 49 -7.916 -6.333 5.479 1.00 2.49 H new ATOM 0 HA ALA A 49 -6.095 -8.239 6.621 1.00 3.12 H new ATOM 0 HB1 ALA A 49 -7.110 -7.465 8.756 1.00 4.09 H new ATOM 0 HB2 ALA A 49 -6.752 -6.091 7.683 1.00 4.09 H new ATOM 0 HB3 ALA A 49 -8.422 -6.682 7.844 1.00 4.09 H new ATOM 744 N LYS A 50 -7.530 -10.087 7.682 1.00 2.46 N ATOM 745 CA LYS A 50 -8.305 -11.337 7.934 1.00 1.81 C ATOM 746 C LYS A 50 -9.712 -10.995 8.438 1.00 1.07 C ATOM 747 O LYS A 50 -10.654 -11.726 8.205 1.00 1.05 O ATOM 748 CB LYS A 50 -7.577 -12.174 8.983 1.00 2.82 C ATOM 749 CG LYS A 50 -6.170 -12.497 8.477 1.00 3.92 C ATOM 750 CD LYS A 50 -5.152 -12.145 9.565 1.00 4.85 C ATOM 751 CE LYS A 50 -5.463 -12.956 10.824 1.00 5.06 C ATOM 752 NZ LYS A 50 -6.076 -12.085 11.867 1.00 5.03 N ATOM 0 H LYS A 50 -6.649 -10.008 8.189 1.00 2.46 H new ATOM 0 HA LYS A 50 -8.391 -11.900 7.004 1.00 1.81 H new ATOM 0 HB2 LYS A 50 -7.522 -11.630 9.926 1.00 2.82 H new ATOM 0 HB3 LYS A 50 -8.127 -13.095 9.178 1.00 2.82 H new ATOM 0 HG2 LYS A 50 -6.096 -13.554 8.221 1.00 3.92 H new ATOM 0 HG3 LYS A 50 -5.959 -11.933 7.568 1.00 3.92 H new ATOM 0 HD2 LYS A 50 -4.142 -12.362 9.218 1.00 4.85 H new ATOM 0 HD3 LYS A 50 -5.191 -11.078 9.786 1.00 4.85 H new ATOM 0 HE2 LYS A 50 -6.142 -13.773 10.579 1.00 5.06 H new ATOM 0 HE3 LYS A 50 -4.548 -13.406 11.209 1.00 5.06 H new ATOM 0 HZ1 LYS A 50 -5.478 -12.089 12.718 1.00 5.03 H new ATOM 0 HZ2 LYS A 50 -6.157 -11.114 11.505 1.00 5.03 H new ATOM 0 HZ3 LYS A 50 -7.022 -12.444 12.107 1.00 5.03 H new ATOM 766 N ALA A 51 -9.822 -9.888 9.121 1.00 1.96 N ATOM 767 CA ALA A 51 -11.159 -9.482 9.648 1.00 2.88 C ATOM 768 C ALA A 51 -12.044 -8.970 8.506 1.00 3.22 C ATOM 769 O ALA A 51 -13.191 -8.675 8.801 1.00 4.20 O ATOM 770 CB ALA A 51 -10.973 -8.375 10.683 1.00 4.31 C ATOM 771 OXT ALA A 51 -11.523 -8.904 7.405 1.00 3.07 O ATOM 0 H ALA A 51 -9.054 -9.252 9.336 1.00 1.96 H new ATOM 0 HA ALA A 51 -11.641 -10.345 10.108 1.00 2.88 H new ATOM 0 HB1 ALA A 51 -11.946 -8.074 11.072 1.00 4.31 H new ATOM 0 HB2 ALA A 51 -10.353 -8.742 11.501 1.00 4.31 H new ATOM 0 HB3 ALA A 51 -10.488 -7.518 10.216 1.00 4.31 H new TER 777 ALA A 51