USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 413 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 18 ASN : amide:sc= -2.81! C(o=-2.8!,f=-10!) USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 3 TYR OH : rot 180:sc= 0.0292 USER MOD Set 2.2: A 47 THR OG1 : rot -127:sc= 0.146 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -157:sc= -0.0148 (180deg=-0.332) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.753 K(o=-0.75,f=-2.9) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -130:sc= -0.0302 (180deg=-0.943) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0296 K(o=-0.03,f=-0.82) USER MOD Single : A 34 LYS NZ :NH3+ 138:sc= 0.0437 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00716 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.052) USER MOD Single : A 41 ASN : amide:sc= -2.76 K(o=-2.8,f=-2.1) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.0137 K(o=-0.014,f=-0.79) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 11 N LYS A 2 0.738 -2.578 -1.517 1.00 11.22 N ATOM 12 CA LYS A 2 0.908 -3.395 -2.713 1.00 2.35 C ATOM 13 C LYS A 2 -0.343 -3.351 -3.584 1.00 30.22 C ATOM 14 O LYS A 2 -1.428 -3.009 -3.113 1.00 22.15 O ATOM 15 CB LYS A 2 1.224 -4.841 -2.326 1.00 75.51 C ATOM 16 CG LYS A 2 0.144 -5.494 -1.480 1.00 21.10 C ATOM 17 CD LYS A 2 0.734 -6.196 -0.268 1.00 71.44 C ATOM 18 CE LYS A 2 1.037 -5.214 0.853 1.00 75.13 C ATOM 19 NZ LYS A 2 2.059 -5.746 1.796 1.00 71.44 N ATOM 0 HA LYS A 2 1.742 -2.989 -3.286 1.00 2.35 H new ATOM 0 HB2 LYS A 2 1.368 -5.428 -3.233 1.00 75.51 H new ATOM 0 HB3 LYS A 2 2.166 -4.864 -1.779 1.00 75.51 H new ATOM 0 HG2 LYS A 2 -0.570 -4.738 -1.152 1.00 21.10 H new ATOM 0 HG3 LYS A 2 -0.409 -6.213 -2.085 1.00 21.10 H new ATOM 0 HD2 LYS A 2 0.037 -6.954 0.090 1.00 71.44 H new ATOM 0 HD3 LYS A 2 1.649 -6.714 -0.556 1.00 71.44 H new ATOM 0 HE2 LYS A 2 1.390 -4.275 0.427 1.00 75.13 H new ATOM 0 HE3 LYS A 2 0.120 -4.992 1.399 1.00 75.13 H new ATOM 0 HZ1 LYS A 2 2.237 -5.047 2.545 1.00 71.44 H new ATOM 0 HZ2 LYS A 2 1.712 -6.629 2.222 1.00 71.44 H new ATOM 0 HZ3 LYS A 2 2.942 -5.934 1.281 1.00 71.44 H new ATOM 33 N TYR A 3 -0.185 -3.701 -4.855 1.00 71.15 N ATOM 34 CA TYR A 3 -1.302 -3.701 -5.793 1.00 31.04 C ATOM 35 C TYR A 3 -1.608 -5.115 -6.276 1.00 32.54 C ATOM 36 O TYR A 3 -0.707 -5.864 -6.656 1.00 11.13 O ATOM 37 CB TYR A 3 -0.993 -2.798 -6.988 1.00 5.14 C ATOM 38 CG TYR A 3 -0.452 -1.441 -6.597 1.00 51.21 C ATOM 39 CD1 TYR A 3 0.907 -1.248 -6.382 1.00 51.34 C ATOM 40 CD2 TYR A 3 -1.301 -0.351 -6.444 1.00 21.32 C ATOM 41 CE1 TYR A 3 1.405 -0.010 -6.025 1.00 14.33 C ATOM 42 CE2 TYR A 3 -0.812 0.891 -6.088 1.00 23.32 C ATOM 43 CZ TYR A 3 0.542 1.056 -5.879 1.00 15.32 C ATOM 44 OH TYR A 3 1.034 2.291 -5.524 1.00 53.40 O ATOM 0 H TYR A 3 0.706 -3.989 -5.260 1.00 71.15 H new ATOM 0 HA TYR A 3 -2.179 -3.316 -5.273 1.00 31.04 H new ATOM 0 HB2 TYR A 3 -0.269 -3.297 -7.632 1.00 5.14 H new ATOM 0 HB3 TYR A 3 -1.901 -2.662 -7.575 1.00 5.14 H new ATOM 0 HD1 TYR A 3 1.586 -2.080 -6.496 1.00 51.34 H new ATOM 0 HD2 TYR A 3 -2.361 -0.477 -6.606 1.00 21.32 H new ATOM 0 HE1 TYR A 3 2.464 0.123 -5.861 1.00 14.33 H new ATOM 0 HE2 TYR A 3 -1.485 1.728 -5.974 1.00 23.32 H new ATOM 0 HH TYR A 3 0.296 2.933 -5.465 1.00 53.40 H new ATOM 54 N THR A 4 -2.888 -5.476 -6.258 1.00 42.24 N ATOM 55 CA THR A 4 -3.315 -6.800 -6.693 1.00 41.45 C ATOM 56 C THR A 4 -3.903 -6.753 -8.099 1.00 71.10 C ATOM 57 O THR A 4 -4.886 -6.056 -8.349 1.00 23.24 O ATOM 58 CB THR A 4 -4.359 -7.397 -5.732 1.00 32.23 C ATOM 59 OG1 THR A 4 -4.358 -6.673 -4.496 1.00 71.41 O ATOM 60 CG2 THR A 4 -4.070 -8.867 -5.465 1.00 15.34 C ATOM 0 H THR A 4 -3.647 -4.869 -5.947 1.00 42.24 H new ATOM 0 HA THR A 4 -2.428 -7.434 -6.694 1.00 41.45 H new ATOM 0 HB THR A 4 -5.340 -7.315 -6.200 1.00 32.23 H new ATOM 0 HG1 THR A 4 -5.026 -7.058 -3.891 1.00 71.41 H new ATOM 0 HG21 THR A 4 -4.821 -9.267 -4.783 1.00 15.34 H new ATOM 0 HG22 THR A 4 -4.100 -9.420 -6.404 1.00 15.34 H new ATOM 0 HG23 THR A 4 -3.082 -8.968 -5.016 1.00 15.34 H new ATOM 68 N GLY A 5 -3.295 -7.501 -9.015 1.00 74.21 N ATOM 69 CA GLY A 5 -3.774 -7.531 -10.385 1.00 20.12 C ATOM 70 C GLY A 5 -3.764 -8.929 -10.972 1.00 12.50 C ATOM 71 O GLY A 5 -3.079 -9.818 -10.467 1.00 33.14 O ATOM 0 H GLY A 5 -2.480 -8.086 -8.833 1.00 74.21 H new ATOM 0 HA2 GLY A 5 -4.788 -7.132 -10.421 1.00 20.12 H new ATOM 0 HA3 GLY A 5 -3.153 -6.878 -10.998 1.00 20.12 H new ATOM 75 N LYS A 6 -4.527 -9.124 -12.042 1.00 35.42 N ATOM 76 CA LYS A 6 -4.605 -10.423 -12.699 1.00 74.52 C ATOM 77 C LYS A 6 -4.057 -10.348 -14.121 1.00 10.34 C ATOM 78 O LYS A 6 -4.186 -9.324 -14.793 1.00 21.21 O ATOM 79 CB LYS A 6 -6.053 -10.919 -12.726 1.00 12.34 C ATOM 80 CG LYS A 6 -6.693 -11.002 -11.350 1.00 42.44 C ATOM 81 CD LYS A 6 -7.868 -10.047 -11.223 1.00 40.25 C ATOM 82 CE LYS A 6 -9.136 -10.641 -11.817 1.00 62.34 C ATOM 83 NZ LYS A 6 -9.711 -9.772 -12.881 1.00 44.01 N ATOM 0 H LYS A 6 -5.100 -8.399 -12.473 1.00 35.42 H new ATOM 0 HA LYS A 6 -3.997 -11.126 -12.130 1.00 74.52 H new ATOM 0 HB2 LYS A 6 -6.645 -10.253 -13.353 1.00 12.34 H new ATOM 0 HB3 LYS A 6 -6.082 -11.904 -13.191 1.00 12.34 H new ATOM 0 HG2 LYS A 6 -7.030 -12.022 -11.166 1.00 42.44 H new ATOM 0 HG3 LYS A 6 -5.950 -10.769 -10.587 1.00 42.44 H new ATOM 0 HD2 LYS A 6 -8.034 -9.810 -10.172 1.00 40.25 H new ATOM 0 HD3 LYS A 6 -7.633 -9.110 -11.728 1.00 40.25 H new ATOM 0 HE2 LYS A 6 -8.916 -11.625 -12.231 1.00 62.34 H new ATOM 0 HE3 LYS A 6 -9.874 -10.785 -11.028 1.00 62.34 H new ATOM 0 HZ1 LYS A 6 -10.574 -10.212 -13.260 1.00 44.01 H new ATOM 0 HZ2 LYS A 6 -9.944 -8.841 -12.480 1.00 44.01 H new ATOM 0 HZ3 LYS A 6 -9.017 -9.655 -13.647 1.00 44.01 H new ATOM 97 N CYS A 7 -3.446 -11.438 -14.573 1.00 52.41 N ATOM 98 CA CYS A 7 -2.879 -11.496 -15.915 1.00 10.42 C ATOM 99 C CYS A 7 -3.454 -12.673 -16.698 1.00 4.42 C ATOM 100 O CYS A 7 -4.066 -13.575 -16.125 1.00 52.33 O ATOM 101 CB CYS A 7 -1.355 -11.612 -15.842 1.00 72.25 C ATOM 102 SG CYS A 7 -0.752 -13.308 -15.563 1.00 22.21 S ATOM 0 H CYS A 7 -3.331 -12.293 -14.029 1.00 52.41 H new ATOM 0 HA CYS A 7 -3.142 -10.575 -16.434 1.00 10.42 H new ATOM 0 HB2 CYS A 7 -0.927 -11.234 -16.771 1.00 72.25 H new ATOM 0 HB3 CYS A 7 -0.990 -10.971 -15.039 1.00 72.25 H new ATOM 107 N THR A 8 -3.251 -12.657 -18.012 1.00 34.42 N ATOM 108 CA THR A 8 -3.749 -13.722 -18.874 1.00 53.31 C ATOM 109 C THR A 8 -2.602 -14.541 -19.454 1.00 53.05 C ATOM 110 O THR A 8 -1.501 -14.030 -19.658 1.00 50.43 O ATOM 111 CB THR A 8 -4.598 -13.158 -20.029 1.00 54.01 C ATOM 112 OG1 THR A 8 -4.638 -11.728 -19.956 1.00 31.55 O ATOM 113 CG2 THR A 8 -6.014 -13.713 -19.981 1.00 0.11 C ATOM 0 H THR A 8 -2.746 -11.919 -18.502 1.00 34.42 H new ATOM 0 HA THR A 8 -4.374 -14.365 -18.254 1.00 53.31 H new ATOM 0 HB THR A 8 -4.138 -13.460 -20.970 1.00 54.01 H new ATOM 0 HG1 THR A 8 -5.178 -11.378 -20.695 1.00 31.55 H new ATOM 0 HG21 THR A 8 -6.595 -13.301 -20.806 1.00 0.11 H new ATOM 0 HG22 THR A 8 -5.982 -14.799 -20.067 1.00 0.11 H new ATOM 0 HG23 THR A 8 -6.481 -13.437 -19.035 1.00 0.11 H new ATOM 121 N LYS A 9 -2.867 -15.816 -19.720 1.00 0.32 N ATOM 122 CA LYS A 9 -1.858 -16.707 -20.279 1.00 44.23 C ATOM 123 C LYS A 9 -1.669 -16.447 -21.770 1.00 43.04 C ATOM 124 O LYS A 9 -0.619 -16.755 -22.336 1.00 14.34 O ATOM 125 CB LYS A 9 -2.254 -18.167 -20.052 1.00 34.25 C ATOM 126 CG LYS A 9 -1.411 -19.156 -20.838 1.00 33.33 C ATOM 127 CD LYS A 9 -1.541 -20.565 -20.283 1.00 13.35 C ATOM 128 CE LYS A 9 -0.198 -21.278 -20.252 1.00 52.02 C ATOM 129 NZ LYS A 9 0.497 -21.208 -21.567 1.00 73.14 N ATOM 0 H LYS A 9 -3.773 -16.255 -19.557 1.00 0.32 H new ATOM 0 HA LYS A 9 -0.914 -16.510 -19.771 1.00 44.23 H new ATOM 0 HB2 LYS A 9 -2.171 -18.396 -18.990 1.00 34.25 H new ATOM 0 HB3 LYS A 9 -3.301 -18.297 -20.326 1.00 34.25 H new ATOM 0 HG2 LYS A 9 -1.718 -19.146 -21.884 1.00 33.33 H new ATOM 0 HG3 LYS A 9 -0.366 -18.848 -20.810 1.00 33.33 H new ATOM 0 HD2 LYS A 9 -1.955 -20.524 -19.276 1.00 13.35 H new ATOM 0 HD3 LYS A 9 -2.242 -21.134 -20.893 1.00 13.35 H new ATOM 0 HE2 LYS A 9 0.433 -20.831 -19.484 1.00 52.02 H new ATOM 0 HE3 LYS A 9 -0.347 -22.322 -19.975 1.00 52.02 H new ATOM 0 HZ1 LYS A 9 1.178 -21.990 -21.642 1.00 73.14 H new ATOM 0 HZ2 LYS A 9 -0.202 -21.283 -22.333 1.00 73.14 H new ATOM 0 HZ3 LYS A 9 1.001 -20.302 -21.646 1.00 73.14 H new ATOM 143 N SER A 10 -2.691 -15.878 -22.401 1.00 44.54 N ATOM 144 CA SER A 10 -2.637 -15.578 -23.828 1.00 34.34 C ATOM 145 C SER A 10 -1.912 -14.260 -24.079 1.00 51.14 C ATOM 146 O SER A 10 -1.039 -14.173 -24.944 1.00 14.44 O ATOM 147 CB SER A 10 -4.051 -15.515 -24.410 1.00 63.30 C ATOM 148 OG SER A 10 -4.046 -15.819 -25.794 1.00 61.12 O ATOM 0 H SER A 10 -3.566 -15.615 -21.947 1.00 44.54 H new ATOM 0 HA SER A 10 -2.083 -16.376 -24.322 1.00 34.34 H new ATOM 0 HB2 SER A 10 -4.697 -16.217 -23.882 1.00 63.30 H new ATOM 0 HB3 SER A 10 -4.468 -14.520 -24.254 1.00 63.30 H new ATOM 0 HG SER A 10 -4.961 -15.774 -26.142 1.00 61.12 H new ATOM 154 N LYS A 11 -2.280 -13.235 -23.318 1.00 43.00 N ATOM 155 CA LYS A 11 -1.665 -11.920 -23.455 1.00 51.15 C ATOM 156 C LYS A 11 -0.433 -11.799 -22.564 1.00 72.31 C ATOM 157 O LYS A 11 0.373 -10.884 -22.724 1.00 51.13 O ATOM 158 CB LYS A 11 -2.673 -10.824 -23.102 1.00 2.20 C ATOM 159 CG LYS A 11 -3.453 -10.307 -24.298 1.00 13.51 C ATOM 160 CD LYS A 11 -3.139 -8.847 -24.580 1.00 12.22 C ATOM 161 CE LYS A 11 -3.721 -8.399 -25.912 1.00 12.43 C ATOM 162 NZ LYS A 11 -4.638 -7.236 -25.753 1.00 41.21 N ATOM 0 H LYS A 11 -3.002 -13.290 -22.599 1.00 43.00 H new ATOM 0 HA LYS A 11 -1.354 -11.799 -24.493 1.00 51.15 H new ATOM 0 HB2 LYS A 11 -3.373 -11.211 -22.362 1.00 2.20 H new ATOM 0 HB3 LYS A 11 -2.144 -9.992 -22.636 1.00 2.20 H new ATOM 0 HG2 LYS A 11 -3.215 -10.907 -25.176 1.00 13.51 H new ATOM 0 HG3 LYS A 11 -4.521 -10.421 -24.114 1.00 13.51 H new ATOM 0 HD2 LYS A 11 -3.540 -8.226 -23.779 1.00 12.22 H new ATOM 0 HD3 LYS A 11 -2.059 -8.701 -24.586 1.00 12.22 H new ATOM 0 HE2 LYS A 11 -2.911 -8.133 -26.591 1.00 12.43 H new ATOM 0 HE3 LYS A 11 -4.261 -9.228 -26.370 1.00 12.43 H new ATOM 0 HZ1 LYS A 11 -5.014 -6.961 -26.683 1.00 41.21 H new ATOM 0 HZ2 LYS A 11 -5.425 -7.498 -25.125 1.00 41.21 H new ATOM 0 HZ3 LYS A 11 -4.116 -6.437 -25.340 1.00 41.21 H new ATOM 176 N ASN A 12 -0.294 -12.730 -21.626 1.00 22.22 N ATOM 177 CA ASN A 12 0.841 -12.728 -20.710 1.00 31.04 C ATOM 178 C ASN A 12 1.044 -11.345 -20.098 1.00 35.12 C ATOM 179 O ASN A 12 2.171 -10.938 -19.820 1.00 30.44 O ATOM 180 CB ASN A 12 2.113 -13.167 -21.439 1.00 15.24 C ATOM 181 CG ASN A 12 3.253 -13.465 -20.484 1.00 75.10 C ATOM 182 OD1 ASN A 12 3.127 -13.282 -19.273 1.00 71.21 O ATOM 183 ND2 ASN A 12 4.373 -13.927 -21.027 1.00 0.01 N ATOM 0 H ASN A 12 -0.953 -13.495 -21.480 1.00 22.22 H new ATOM 0 HA ASN A 12 0.629 -13.434 -19.907 1.00 31.04 H new ATOM 0 HB2 ASN A 12 1.899 -14.055 -22.034 1.00 15.24 H new ATOM 0 HB3 ASN A 12 2.419 -12.384 -22.133 1.00 15.24 H new ATOM 0 HD21 ASN A 12 5.174 -14.146 -20.435 1.00 0.01 H new ATOM 0 HD22 ASN A 12 4.432 -14.063 -22.036 1.00 0.01 H new ATOM 190 N GLU A 13 -0.057 -10.628 -19.891 1.00 61.41 N ATOM 191 CA GLU A 13 0.001 -9.291 -19.312 1.00 72.25 C ATOM 192 C GLU A 13 -0.927 -9.180 -18.106 1.00 54.24 C ATOM 193 O GLU A 13 -2.022 -9.745 -18.096 1.00 43.54 O ATOM 194 CB GLU A 13 -0.377 -8.241 -20.360 1.00 34.54 C ATOM 195 CG GLU A 13 -1.862 -8.209 -20.680 1.00 14.21 C ATOM 196 CD GLU A 13 -2.554 -6.983 -20.115 1.00 32.42 C ATOM 197 OE1 GLU A 13 -2.792 -6.949 -18.889 1.00 64.31 O ATOM 198 OE2 GLU A 13 -2.858 -6.059 -20.897 1.00 73.35 O ATOM 0 H GLU A 13 -0.998 -10.951 -20.115 1.00 61.41 H new ATOM 0 HA GLU A 13 1.023 -9.110 -18.979 1.00 72.25 H new ATOM 0 HB2 GLU A 13 -0.069 -7.258 -20.005 1.00 34.54 H new ATOM 0 HB3 GLU A 13 0.180 -8.437 -21.276 1.00 34.54 H new ATOM 0 HG2 GLU A 13 -1.998 -8.232 -21.761 1.00 14.21 H new ATOM 0 HG3 GLU A 13 -2.336 -9.106 -20.280 1.00 14.21 H new ATOM 205 N CYS A 14 -0.482 -8.448 -17.090 1.00 74.04 N ATOM 206 CA CYS A 14 -1.271 -8.262 -15.878 1.00 63.22 C ATOM 207 C CYS A 14 -1.992 -6.917 -15.899 1.00 24.40 C ATOM 208 O CYS A 14 -1.691 -6.052 -16.721 1.00 54.33 O ATOM 209 CB CYS A 14 -0.373 -8.353 -14.642 1.00 73.23 C ATOM 210 SG CYS A 14 -1.214 -8.994 -13.159 1.00 10.24 S ATOM 0 H CYS A 14 0.421 -7.974 -17.082 1.00 74.04 H new ATOM 0 HA CYS A 14 -2.019 -9.054 -15.835 1.00 63.22 H new ATOM 0 HB2 CYS A 14 0.478 -8.995 -14.870 1.00 73.23 H new ATOM 0 HB3 CYS A 14 0.025 -7.363 -14.421 1.00 73.23 H new ATOM 215 N LYS A 15 -2.944 -6.749 -14.988 1.00 74.13 N ATOM 216 CA LYS A 15 -3.708 -5.510 -14.899 1.00 72.33 C ATOM 217 C LYS A 15 -4.036 -5.177 -13.448 1.00 14.45 C ATOM 218 O LYS A 15 -4.657 -5.973 -12.743 1.00 14.54 O ATOM 219 CB LYS A 15 -5.000 -5.624 -15.712 1.00 41.01 C ATOM 220 CG LYS A 15 -5.844 -4.361 -15.693 1.00 22.33 C ATOM 221 CD LYS A 15 -6.855 -4.384 -14.558 1.00 44.44 C ATOM 222 CE LYS A 15 -8.222 -4.845 -15.039 1.00 41.32 C ATOM 223 NZ LYS A 15 -9.051 -5.380 -13.924 1.00 23.12 N ATOM 0 H LYS A 15 -3.205 -7.456 -14.300 1.00 74.13 H new ATOM 0 HA LYS A 15 -3.098 -4.705 -15.309 1.00 72.33 H new ATOM 0 HB2 LYS A 15 -4.749 -5.868 -16.744 1.00 41.01 H new ATOM 0 HB3 LYS A 15 -5.592 -6.453 -15.323 1.00 41.01 H new ATOM 0 HG2 LYS A 15 -5.196 -3.491 -15.587 1.00 22.33 H new ATOM 0 HG3 LYS A 15 -6.366 -4.256 -16.644 1.00 22.33 H new ATOM 0 HD2 LYS A 15 -6.503 -5.048 -13.769 1.00 44.44 H new ATOM 0 HD3 LYS A 15 -6.938 -3.388 -14.123 1.00 44.44 H new ATOM 0 HE2 LYS A 15 -8.742 -4.011 -15.510 1.00 41.32 H new ATOM 0 HE3 LYS A 15 -8.098 -5.614 -15.801 1.00 41.32 H new ATOM 0 HZ1 LYS A 15 -9.975 -5.684 -14.293 1.00 23.12 H new ATOM 0 HZ2 LYS A 15 -8.567 -6.192 -13.491 1.00 23.12 H new ATOM 0 HZ3 LYS A 15 -9.191 -4.638 -13.208 1.00 23.12 H new ATOM 237 N TYR A 16 -3.617 -3.995 -13.008 1.00 31.54 N ATOM 238 CA TYR A 16 -3.866 -3.557 -11.639 1.00 61.24 C ATOM 239 C TYR A 16 -4.179 -2.065 -11.594 1.00 14.22 C ATOM 240 O TYR A 16 -3.919 -1.334 -12.550 1.00 13.33 O ATOM 241 CB TYR A 16 -2.655 -3.863 -10.756 1.00 13.43 C ATOM 242 CG TYR A 16 -1.436 -3.035 -11.092 1.00 44.14 C ATOM 243 CD1 TYR A 16 -0.509 -3.476 -12.029 1.00 22.35 C ATOM 244 CD2 TYR A 16 -1.211 -1.811 -10.475 1.00 3.42 C ATOM 245 CE1 TYR A 16 0.607 -2.724 -12.338 1.00 43.45 C ATOM 246 CE2 TYR A 16 -0.098 -1.050 -10.780 1.00 31.53 C ATOM 247 CZ TYR A 16 0.808 -1.511 -11.712 1.00 21.53 C ATOM 248 OH TYR A 16 1.918 -0.758 -12.019 1.00 31.02 O ATOM 0 H TYR A 16 -3.104 -3.324 -13.579 1.00 31.54 H new ATOM 0 HA TYR A 16 -4.730 -4.103 -11.260 1.00 61.24 H new ATOM 0 HB2 TYR A 16 -2.924 -3.692 -9.714 1.00 13.43 H new ATOM 0 HB3 TYR A 16 -2.404 -4.919 -10.852 1.00 13.43 H new ATOM 0 HD1 TYR A 16 -0.664 -4.423 -12.524 1.00 22.35 H new ATOM 0 HD2 TYR A 16 -1.918 -1.447 -9.744 1.00 3.42 H new ATOM 0 HE1 TYR A 16 1.319 -3.084 -13.066 1.00 43.45 H new ATOM 0 HE2 TYR A 16 0.061 -0.100 -10.291 1.00 31.53 H new ATOM 0 HH TYR A 16 1.909 0.068 -11.491 1.00 31.02 H new ATOM 258 N LYS A 17 -4.740 -1.619 -10.475 1.00 1.32 N ATOM 259 CA LYS A 17 -5.088 -0.214 -10.300 1.00 53.45 C ATOM 260 C LYS A 17 -3.996 0.527 -9.536 1.00 44.23 C ATOM 261 O LYS A 17 -3.411 -0.008 -8.596 1.00 31.53 O ATOM 262 CB LYS A 17 -6.421 -0.086 -9.558 1.00 44.45 C ATOM 263 CG LYS A 17 -7.634 -0.168 -10.468 1.00 60.44 C ATOM 264 CD LYS A 17 -8.929 -0.063 -9.681 1.00 74.53 C ATOM 265 CE LYS A 17 -9.300 -1.391 -9.039 1.00 34.31 C ATOM 266 NZ LYS A 17 -8.802 -1.489 -7.639 1.00 40.30 N ATOM 0 H LYS A 17 -4.963 -2.211 -9.675 1.00 1.32 H new ATOM 0 HA LYS A 17 -5.184 0.236 -11.288 1.00 53.45 H new ATOM 0 HB2 LYS A 17 -6.486 -0.874 -8.807 1.00 44.45 H new ATOM 0 HB3 LYS A 17 -6.441 0.865 -9.025 1.00 44.45 H new ATOM 0 HG2 LYS A 17 -7.590 0.632 -11.207 1.00 60.44 H new ATOM 0 HG3 LYS A 17 -7.616 -1.110 -11.016 1.00 60.44 H new ATOM 0 HD2 LYS A 17 -8.826 0.699 -8.909 1.00 74.53 H new ATOM 0 HD3 LYS A 17 -9.733 0.260 -10.343 1.00 74.53 H new ATOM 0 HE2 LYS A 17 -10.384 -1.508 -9.048 1.00 34.31 H new ATOM 0 HE3 LYS A 17 -8.886 -2.208 -9.630 1.00 34.31 H new ATOM 0 HZ1 LYS A 17 -8.294 -2.388 -7.513 1.00 40.30 H new ATOM 0 HZ2 LYS A 17 -8.157 -0.697 -7.444 1.00 40.30 H new ATOM 0 HZ3 LYS A 17 -9.606 -1.451 -6.981 1.00 40.30 H new ATOM 280 N ASN A 18 -3.726 1.762 -9.947 1.00 12.34 N ATOM 281 CA ASN A 18 -2.704 2.577 -9.300 1.00 31.25 C ATOM 282 C ASN A 18 -3.325 3.503 -8.258 1.00 52.03 C ATOM 283 O ASN A 18 -4.513 3.401 -7.951 1.00 61.51 O ATOM 284 CB ASN A 18 -1.943 3.400 -10.341 1.00 71.41 C ATOM 285 CG ASN A 18 -2.849 4.345 -11.106 1.00 33.21 C ATOM 286 OD1 ASN A 18 -2.912 5.538 -10.810 1.00 2.21 O ATOM 287 ND2 ASN A 18 -3.558 3.814 -12.096 1.00 24.33 N ATOM 0 H ASN A 18 -4.201 2.220 -10.725 1.00 12.34 H new ATOM 0 HA ASN A 18 -2.007 1.908 -8.796 1.00 31.25 H new ATOM 0 HB2 ASN A 18 -1.160 3.974 -9.845 1.00 71.41 H new ATOM 0 HB3 ASN A 18 -1.449 2.727 -11.042 1.00 71.41 H new ATOM 0 HD21 ASN A 18 -4.186 4.401 -12.645 1.00 24.33 H new ATOM 0 HD22 ASN A 18 -3.475 2.820 -12.307 1.00 24.33 H new ATOM 294 N ASP A 19 -2.514 4.407 -7.720 1.00 31.33 N ATOM 295 CA ASP A 19 -2.984 5.353 -6.714 1.00 64.21 C ATOM 296 C ASP A 19 -4.165 6.162 -7.239 1.00 51.34 C ATOM 297 O ASP A 19 -5.078 6.505 -6.489 1.00 2.43 O ATOM 298 CB ASP A 19 -1.850 6.292 -6.298 1.00 54.02 C ATOM 299 CG ASP A 19 -1.414 7.207 -7.425 1.00 52.51 C ATOM 300 OD1 ASP A 19 -0.642 6.752 -8.294 1.00 23.21 O ATOM 301 OD2 ASP A 19 -1.845 8.380 -7.438 1.00 24.01 O ATOM 0 H ASP A 19 -1.528 4.505 -7.963 1.00 31.33 H new ATOM 0 HA ASP A 19 -3.314 4.786 -5.843 1.00 64.21 H new ATOM 0 HB2 ASP A 19 -2.174 6.894 -5.449 1.00 54.02 H new ATOM 0 HB3 ASP A 19 -0.997 5.701 -5.963 1.00 54.02 H new ATOM 306 N ALA A 20 -4.140 6.465 -8.533 1.00 61.02 N ATOM 307 CA ALA A 20 -5.209 7.233 -9.159 1.00 0.30 C ATOM 308 C ALA A 20 -6.495 6.418 -9.243 1.00 24.50 C ATOM 309 O ALA A 20 -7.563 6.953 -9.536 1.00 62.44 O ATOM 310 CB ALA A 20 -4.784 7.697 -10.544 1.00 73.05 C ATOM 0 H ALA A 20 -3.391 6.190 -9.168 1.00 61.02 H new ATOM 0 HA ALA A 20 -5.405 8.108 -8.539 1.00 0.30 H new ATOM 0 HB1 ALA A 20 -5.592 8.269 -11.000 1.00 73.05 H new ATOM 0 HB2 ALA A 20 -3.897 8.325 -10.461 1.00 73.05 H new ATOM 0 HB3 ALA A 20 -4.558 6.830 -11.165 1.00 73.05 H new ATOM 316 N GLY A 21 -6.384 5.118 -8.984 1.00 3.01 N ATOM 317 CA GLY A 21 -7.545 4.249 -9.037 1.00 10.45 C ATOM 318 C GLY A 21 -7.848 3.771 -10.443 1.00 14.53 C ATOM 319 O GLY A 21 -8.739 2.947 -10.648 1.00 20.51 O ATOM 0 H GLY A 21 -5.511 4.652 -8.739 1.00 3.01 H new ATOM 0 HA2 GLY A 21 -7.379 3.387 -8.391 1.00 10.45 H new ATOM 0 HA3 GLY A 21 -8.411 4.781 -8.643 1.00 10.45 H new ATOM 323 N LYS A 22 -7.107 4.292 -11.415 1.00 75.43 N ATOM 324 CA LYS A 22 -7.301 3.914 -12.810 1.00 40.34 C ATOM 325 C LYS A 22 -6.723 2.530 -13.085 1.00 25.22 C ATOM 326 O LYS A 22 -5.743 2.121 -12.461 1.00 42.31 O ATOM 327 CB LYS A 22 -6.647 4.944 -13.734 1.00 41.22 C ATOM 328 CG LYS A 22 -7.537 6.135 -14.044 1.00 52.14 C ATOM 329 CD LYS A 22 -7.010 6.933 -15.226 1.00 32.44 C ATOM 330 CE LYS A 22 -5.902 7.886 -14.805 1.00 30.43 C ATOM 331 NZ LYS A 22 -4.561 7.401 -15.234 1.00 21.25 N ATOM 0 H LYS A 22 -6.367 4.977 -11.263 1.00 75.43 H new ATOM 0 HA LYS A 22 -8.373 3.886 -13.007 1.00 40.34 H new ATOM 0 HB2 LYS A 22 -5.726 5.300 -13.273 1.00 41.22 H new ATOM 0 HB3 LYS A 22 -6.368 4.456 -14.668 1.00 41.22 H new ATOM 0 HG2 LYS A 22 -8.548 5.789 -14.259 1.00 52.14 H new ATOM 0 HG3 LYS A 22 -7.601 6.780 -13.168 1.00 52.14 H new ATOM 0 HD2 LYS A 22 -6.634 6.251 -15.989 1.00 32.44 H new ATOM 0 HD3 LYS A 22 -7.825 7.498 -15.678 1.00 32.44 H new ATOM 0 HE2 LYS A 22 -6.087 8.870 -15.235 1.00 30.43 H new ATOM 0 HE3 LYS A 22 -5.916 8.004 -13.721 1.00 30.43 H new ATOM 0 HZ1 LYS A 22 -3.833 8.078 -14.928 1.00 21.25 H new ATOM 0 HZ2 LYS A 22 -4.373 6.473 -14.804 1.00 21.25 H new ATOM 0 HZ3 LYS A 22 -4.539 7.313 -16.270 1.00 21.25 H new ATOM 345 N ASP A 23 -7.334 1.813 -14.022 1.00 3.52 N ATOM 346 CA ASP A 23 -6.877 0.476 -14.381 1.00 35.44 C ATOM 347 C ASP A 23 -5.674 0.544 -15.315 1.00 42.42 C ATOM 348 O ASP A 23 -5.745 1.131 -16.396 1.00 32.03 O ATOM 349 CB ASP A 23 -8.009 -0.312 -15.043 1.00 51.31 C ATOM 350 CG ASP A 23 -8.487 0.333 -16.329 1.00 53.21 C ATOM 351 OD1 ASP A 23 -9.246 1.322 -16.250 1.00 45.12 O ATOM 352 OD2 ASP A 23 -8.104 -0.152 -17.415 1.00 0.54 O ATOM 0 H ASP A 23 -8.147 2.136 -14.547 1.00 3.52 H new ATOM 0 HA ASP A 23 -6.575 -0.035 -13.467 1.00 35.44 H new ATOM 0 HB2 ASP A 23 -7.668 -1.326 -15.253 1.00 51.31 H new ATOM 0 HB3 ASP A 23 -8.845 -0.395 -14.349 1.00 51.31 H new ATOM 357 N THR A 24 -4.567 -0.058 -14.892 1.00 21.20 N ATOM 358 CA THR A 24 -3.347 -0.064 -15.689 1.00 40.33 C ATOM 359 C THR A 24 -2.891 -1.487 -15.987 1.00 73.53 C ATOM 360 O THR A 24 -2.755 -2.309 -15.081 1.00 2.05 O ATOM 361 CB THR A 24 -2.207 0.690 -14.978 1.00 33.44 C ATOM 362 OG1 THR A 24 -2.712 1.887 -14.376 1.00 33.22 O ATOM 363 CG2 THR A 24 -1.095 1.038 -15.955 1.00 73.45 C ATOM 0 H THR A 24 -4.490 -0.548 -14.001 1.00 21.20 H new ATOM 0 HA THR A 24 -3.580 0.443 -16.625 1.00 40.33 H new ATOM 0 HB THR A 24 -1.798 0.039 -14.205 1.00 33.44 H new ATOM 0 HG1 THR A 24 -1.982 2.360 -13.925 1.00 33.22 H new ATOM 0 HG21 THR A 24 -0.302 1.570 -15.429 1.00 73.45 H new ATOM 0 HG22 THR A 24 -0.692 0.123 -16.389 1.00 73.45 H new ATOM 0 HG23 THR A 24 -1.492 1.671 -16.748 1.00 73.45 H new ATOM 371 N PHE A 25 -2.656 -1.774 -17.264 1.00 15.44 N ATOM 372 CA PHE A 25 -2.216 -3.100 -17.681 1.00 41.53 C ATOM 373 C PHE A 25 -0.780 -3.059 -18.196 1.00 2.54 C ATOM 374 O PHE A 25 -0.329 -2.044 -18.729 1.00 72.30 O ATOM 375 CB PHE A 25 -3.143 -3.650 -18.767 1.00 41.32 C ATOM 376 CG PHE A 25 -3.424 -2.668 -19.869 1.00 33.32 C ATOM 377 CD1 PHE A 25 -2.525 -2.497 -20.909 1.00 23.52 C ATOM 378 CD2 PHE A 25 -4.588 -1.917 -19.865 1.00 34.02 C ATOM 379 CE1 PHE A 25 -2.781 -1.594 -21.923 1.00 60.53 C ATOM 380 CE2 PHE A 25 -4.850 -1.013 -20.877 1.00 13.32 C ATOM 381 CZ PHE A 25 -3.946 -0.852 -21.908 1.00 23.10 C ATOM 0 H PHE A 25 -2.763 -1.106 -18.027 1.00 15.44 H new ATOM 0 HA PHE A 25 -2.254 -3.758 -16.813 1.00 41.53 H new ATOM 0 HB2 PHE A 25 -2.695 -4.547 -19.196 1.00 41.32 H new ATOM 0 HB3 PHE A 25 -4.086 -3.951 -18.310 1.00 41.32 H new ATOM 0 HD1 PHE A 25 -1.614 -3.076 -20.927 1.00 23.52 H new ATOM 0 HD2 PHE A 25 -5.299 -2.039 -19.062 1.00 34.02 H new ATOM 0 HE1 PHE A 25 -2.071 -1.468 -22.727 1.00 60.53 H new ATOM 0 HE2 PHE A 25 -5.761 -0.433 -20.861 1.00 13.32 H new ATOM 0 HZ PHE A 25 -4.149 -0.148 -22.701 1.00 23.10 H new ATOM 391 N ILE A 26 -0.067 -4.168 -18.031 1.00 2.55 N ATOM 392 CA ILE A 26 1.317 -4.259 -18.478 1.00 43.21 C ATOM 393 C ILE A 26 1.692 -5.698 -18.815 1.00 42.03 C ATOM 394 O ILE A 26 1.192 -6.642 -18.203 1.00 55.33 O ATOM 395 CB ILE A 26 2.290 -3.723 -17.411 1.00 65.23 C ATOM 396 CG1 ILE A 26 3.700 -3.598 -17.993 1.00 23.05 C ATOM 397 CG2 ILE A 26 2.293 -4.633 -16.192 1.00 62.42 C ATOM 398 CD1 ILE A 26 4.607 -2.692 -17.189 1.00 52.01 C ATOM 0 H ILE A 26 -0.425 -5.016 -17.591 1.00 2.55 H new ATOM 0 HA ILE A 26 1.400 -3.645 -19.375 1.00 43.21 H new ATOM 0 HB ILE A 26 1.956 -2.733 -17.100 1.00 65.23 H new ATOM 0 HG12 ILE A 26 4.149 -4.589 -18.052 1.00 23.05 H new ATOM 0 HG13 ILE A 26 3.631 -3.218 -19.012 1.00 23.05 H new ATOM 0 HG21 ILE A 26 2.985 -4.241 -15.447 1.00 62.42 H new ATOM 0 HG22 ILE A 26 1.290 -4.676 -15.768 1.00 62.42 H new ATOM 0 HG23 ILE A 26 2.606 -5.635 -16.487 1.00 62.42 H new ATOM 0 HD11 ILE A 26 5.589 -2.650 -17.659 1.00 52.01 H new ATOM 0 HD12 ILE A 26 4.180 -1.690 -17.152 1.00 52.01 H new ATOM 0 HD13 ILE A 26 4.706 -3.082 -16.176 1.00 52.01 H new ATOM 410 N LYS A 27 2.578 -5.859 -19.792 1.00 62.33 N ATOM 411 CA LYS A 27 3.024 -7.183 -20.210 1.00 63.03 C ATOM 412 C LYS A 27 4.082 -7.727 -19.256 1.00 23.22 C ATOM 413 O LYS A 27 4.865 -6.969 -18.683 1.00 1.23 O ATOM 414 CB LYS A 27 3.585 -7.129 -21.633 1.00 43.12 C ATOM 415 CG LYS A 27 4.257 -5.809 -21.972 1.00 72.55 C ATOM 416 CD LYS A 27 5.341 -5.461 -20.967 1.00 2.12 C ATOM 417 CE LYS A 27 6.235 -4.341 -21.477 1.00 22.00 C ATOM 418 NZ LYS A 27 7.621 -4.450 -20.942 1.00 14.13 N ATOM 0 H LYS A 27 3.002 -5.089 -20.309 1.00 62.33 H new ATOM 0 HA LYS A 27 2.164 -7.852 -20.190 1.00 63.03 H new ATOM 0 HB2 LYS A 27 4.305 -7.937 -21.762 1.00 43.12 H new ATOM 0 HB3 LYS A 27 2.776 -7.307 -22.341 1.00 43.12 H new ATOM 0 HG2 LYS A 27 4.690 -5.866 -22.971 1.00 72.55 H new ATOM 0 HG3 LYS A 27 3.511 -5.015 -21.993 1.00 72.55 H new ATOM 0 HD2 LYS A 27 4.882 -5.161 -20.025 1.00 2.12 H new ATOM 0 HD3 LYS A 27 5.945 -6.345 -20.761 1.00 2.12 H new ATOM 0 HE2 LYS A 27 6.263 -4.366 -22.566 1.00 22.00 H new ATOM 0 HE3 LYS A 27 5.810 -3.379 -21.191 1.00 22.00 H new ATOM 0 HZ1 LYS A 27 8.199 -3.669 -21.313 1.00 14.13 H new ATOM 0 HZ2 LYS A 27 7.597 -4.400 -19.903 1.00 14.13 H new ATOM 0 HZ3 LYS A 27 8.036 -5.357 -21.236 1.00 14.13 H new ATOM 432 N CYS A 28 4.101 -9.046 -19.090 1.00 45.54 N ATOM 433 CA CYS A 28 5.064 -9.692 -18.206 1.00 52.14 C ATOM 434 C CYS A 28 6.192 -10.335 -19.008 1.00 32.41 C ATOM 435 O CYS A 28 6.063 -10.604 -20.202 1.00 62.05 O ATOM 436 CB CYS A 28 4.368 -10.748 -17.346 1.00 30.32 C ATOM 437 SG CYS A 28 3.912 -10.168 -15.680 1.00 51.14 S ATOM 0 H CYS A 28 3.460 -9.688 -19.556 1.00 45.54 H new ATOM 0 HA CYS A 28 5.493 -8.929 -17.556 1.00 52.14 H new ATOM 0 HB2 CYS A 28 3.468 -11.085 -17.861 1.00 30.32 H new ATOM 0 HB3 CYS A 28 5.024 -11.614 -17.251 1.00 30.32 H new ATOM 442 N PRO A 29 7.325 -10.589 -18.336 1.00 73.21 N ATOM 443 CA PRO A 29 8.497 -11.205 -18.965 1.00 40.30 C ATOM 444 C PRO A 29 8.263 -12.669 -19.319 1.00 21.32 C ATOM 445 O PRO A 29 7.521 -13.373 -18.634 1.00 74.51 O ATOM 446 CB PRO A 29 9.582 -11.080 -17.892 1.00 35.31 C ATOM 447 CG PRO A 29 8.835 -11.011 -16.605 1.00 33.12 C ATOM 448 CD PRO A 29 7.548 -10.295 -16.911 1.00 21.35 C ATOM 0 HA PRO A 29 8.754 -10.723 -19.908 1.00 40.30 H new ATOM 0 HB2 PRO A 29 10.259 -11.934 -17.912 1.00 35.31 H new ATOM 0 HB3 PRO A 29 10.190 -10.188 -18.045 1.00 35.31 H new ATOM 0 HG2 PRO A 29 8.642 -12.009 -16.212 1.00 33.12 H new ATOM 0 HG3 PRO A 29 9.409 -10.476 -15.849 1.00 33.12 H new ATOM 0 HD2 PRO A 29 6.728 -10.660 -16.292 1.00 21.35 H new ATOM 0 HD3 PRO A 29 7.631 -9.223 -16.730 1.00 21.35 H new ATOM 456 N LYS A 30 8.902 -13.123 -20.392 1.00 74.20 N ATOM 457 CA LYS A 30 8.765 -14.505 -20.837 1.00 20.13 C ATOM 458 C LYS A 30 9.789 -15.402 -20.148 1.00 50.12 C ATOM 459 O LYS A 30 9.955 -16.566 -20.514 1.00 11.23 O ATOM 460 CB LYS A 30 8.934 -14.593 -22.355 1.00 53.12 C ATOM 461 CG LYS A 30 8.033 -15.627 -23.008 1.00 63.14 C ATOM 462 CD LYS A 30 7.651 -15.221 -24.422 1.00 2.32 C ATOM 463 CE LYS A 30 6.147 -15.044 -24.564 1.00 2.35 C ATOM 464 NZ LYS A 30 5.775 -14.520 -25.907 1.00 35.11 N ATOM 0 H LYS A 30 9.520 -12.554 -20.970 1.00 74.20 H new ATOM 0 HA LYS A 30 7.766 -14.850 -20.568 1.00 20.13 H new ATOM 0 HB2 LYS A 30 8.728 -13.616 -22.792 1.00 53.12 H new ATOM 0 HB3 LYS A 30 9.973 -14.832 -22.583 1.00 53.12 H new ATOM 0 HG2 LYS A 30 8.541 -16.591 -23.030 1.00 63.14 H new ATOM 0 HG3 LYS A 30 7.131 -15.755 -22.409 1.00 63.14 H new ATOM 0 HD2 LYS A 30 8.154 -14.290 -24.683 1.00 2.32 H new ATOM 0 HD3 LYS A 30 7.997 -15.978 -25.125 1.00 2.32 H new ATOM 0 HE2 LYS A 30 5.651 -16.000 -24.397 1.00 2.35 H new ATOM 0 HE3 LYS A 30 5.788 -14.360 -23.795 1.00 2.35 H new ATOM 0 HZ1 LYS A 30 4.742 -14.413 -25.964 1.00 35.11 H new ATOM 0 HZ2 LYS A 30 6.227 -13.596 -26.056 1.00 35.11 H new ATOM 0 HZ3 LYS A 30 6.095 -15.185 -26.640 1.00 35.11 H new ATOM 478 N PHE A 31 10.472 -14.853 -19.149 1.00 64.32 N ATOM 479 CA PHE A 31 11.480 -15.604 -18.409 1.00 71.21 C ATOM 480 C PHE A 31 10.825 -16.554 -17.410 1.00 64.24 C ATOM 481 O PHE A 31 9.658 -16.390 -17.055 1.00 22.34 O ATOM 482 CB PHE A 31 12.424 -14.648 -17.677 1.00 52.12 C ATOM 483 CG PHE A 31 13.599 -14.215 -18.506 1.00 25.12 C ATOM 484 CD1 PHE A 31 13.418 -13.742 -19.795 1.00 64.14 C ATOM 485 CD2 PHE A 31 14.886 -14.282 -17.995 1.00 52.21 C ATOM 486 CE1 PHE A 31 14.498 -13.343 -20.560 1.00 41.35 C ATOM 487 CE2 PHE A 31 15.969 -13.883 -18.755 1.00 61.42 C ATOM 488 CZ PHE A 31 15.775 -13.414 -20.040 1.00 23.52 C ATOM 0 H PHE A 31 10.346 -13.891 -18.833 1.00 64.32 H new ATOM 0 HA PHE A 31 12.054 -16.194 -19.123 1.00 71.21 H new ATOM 0 HB2 PHE A 31 11.865 -13.766 -17.365 1.00 52.12 H new ATOM 0 HB3 PHE A 31 12.788 -15.132 -16.771 1.00 52.12 H new ATOM 0 HD1 PHE A 31 12.421 -13.684 -20.207 1.00 64.14 H new ATOM 0 HD2 PHE A 31 15.044 -14.650 -16.992 1.00 52.21 H new ATOM 0 HE1 PHE A 31 14.343 -12.976 -21.564 1.00 41.35 H new ATOM 0 HE2 PHE A 31 16.967 -13.938 -18.345 1.00 61.42 H new ATOM 0 HZ PHE A 31 16.620 -13.104 -20.636 1.00 23.52 H new ATOM 498 N ASP A 32 11.585 -17.548 -16.963 1.00 3.52 N ATOM 499 CA ASP A 32 11.081 -18.524 -16.005 1.00 33.42 C ATOM 500 C ASP A 32 10.935 -17.902 -14.620 1.00 13.13 C ATOM 501 O ASP A 32 10.245 -18.441 -13.756 1.00 22.54 O ATOM 502 CB ASP A 32 12.014 -19.734 -15.938 1.00 21.20 C ATOM 503 CG ASP A 32 11.829 -20.674 -17.113 1.00 34.11 C ATOM 504 OD1 ASP A 32 11.453 -20.194 -18.203 1.00 64.45 O ATOM 505 OD2 ASP A 32 12.059 -21.889 -16.942 1.00 65.32 O ATOM 0 H ASP A 32 12.552 -17.699 -17.249 1.00 3.52 H new ATOM 0 HA ASP A 32 10.097 -18.851 -16.342 1.00 33.42 H new ATOM 0 HB2 ASP A 32 13.048 -19.391 -15.911 1.00 21.20 H new ATOM 0 HB3 ASP A 32 11.834 -20.277 -15.010 1.00 21.20 H new ATOM 510 N ASN A 33 11.590 -16.764 -14.416 1.00 51.51 N ATOM 511 CA ASN A 33 11.534 -16.068 -13.135 1.00 63.23 C ATOM 512 C ASN A 33 10.139 -15.507 -12.881 1.00 54.01 C ATOM 513 O ASN A 33 9.680 -15.446 -11.740 1.00 40.52 O ATOM 514 CB ASN A 33 12.565 -14.938 -13.100 1.00 30.02 C ATOM 515 CG ASN A 33 12.854 -14.463 -11.689 1.00 30.22 C ATOM 516 OD1 ASN A 33 12.916 -15.262 -10.754 1.00 4.31 O ATOM 517 ND2 ASN A 33 13.032 -13.157 -11.529 1.00 52.01 N ATOM 0 H ASN A 33 12.166 -16.304 -15.121 1.00 51.51 H new ATOM 0 HA ASN A 33 11.765 -16.787 -12.349 1.00 63.23 H new ATOM 0 HB2 ASN A 33 13.491 -15.280 -13.562 1.00 30.02 H new ATOM 0 HB3 ASN A 33 12.202 -14.100 -13.695 1.00 30.02 H new ATOM 0 HD21 ASN A 33 13.229 -12.779 -10.602 1.00 52.01 H new ATOM 0 HD22 ASN A 33 12.972 -12.532 -12.333 1.00 52.01 H new ATOM 524 N LYS A 34 9.467 -15.099 -13.952 1.00 50.35 N ATOM 525 CA LYS A 34 8.123 -14.544 -13.848 1.00 14.02 C ATOM 526 C LYS A 34 7.381 -14.661 -15.176 1.00 11.14 C ATOM 527 O LYS A 34 7.848 -14.172 -16.205 1.00 14.24 O ATOM 528 CB LYS A 34 8.186 -13.078 -13.414 1.00 50.33 C ATOM 529 CG LYS A 34 8.198 -12.889 -11.907 1.00 51.02 C ATOM 530 CD LYS A 34 9.514 -12.298 -11.430 1.00 30.44 C ATOM 531 CE LYS A 34 9.705 -10.878 -11.939 1.00 61.14 C ATOM 532 NZ LYS A 34 10.607 -10.088 -11.056 1.00 32.32 N ATOM 0 H LYS A 34 9.832 -15.142 -14.903 1.00 50.35 H new ATOM 0 HA LYS A 34 7.579 -15.116 -13.096 1.00 14.02 H new ATOM 0 HB2 LYS A 34 9.081 -12.621 -13.836 1.00 50.33 H new ATOM 0 HB3 LYS A 34 7.330 -12.547 -13.831 1.00 50.33 H new ATOM 0 HG2 LYS A 34 7.377 -12.234 -11.615 1.00 51.02 H new ATOM 0 HG3 LYS A 34 8.030 -13.848 -11.418 1.00 51.02 H new ATOM 0 HD2 LYS A 34 9.542 -12.302 -10.340 1.00 30.44 H new ATOM 0 HD3 LYS A 34 10.339 -12.922 -11.772 1.00 30.44 H new ATOM 0 HE2 LYS A 34 10.118 -10.906 -12.947 1.00 61.14 H new ATOM 0 HE3 LYS A 34 8.736 -10.383 -12.005 1.00 61.14 H new ATOM 0 HZ1 LYS A 34 11.256 -9.522 -11.640 1.00 32.32 H new ATOM 0 HZ2 LYS A 34 10.039 -9.456 -10.456 1.00 32.32 H new ATOM 0 HZ3 LYS A 34 11.157 -10.734 -10.454 1.00 32.32 H new ATOM 546 N LYS A 35 6.222 -15.311 -15.146 1.00 3.34 N ATOM 547 CA LYS A 35 5.414 -15.490 -16.346 1.00 13.23 C ATOM 548 C LYS A 35 4.012 -15.975 -15.990 1.00 21.21 C ATOM 549 O LYS A 35 3.747 -16.356 -14.849 1.00 52.03 O ATOM 550 CB LYS A 35 6.085 -16.486 -17.294 1.00 32.33 C ATOM 551 CG LYS A 35 6.147 -17.901 -16.744 1.00 70.04 C ATOM 552 CD LYS A 35 6.405 -18.916 -17.845 1.00 51.15 C ATOM 553 CE LYS A 35 7.695 -19.684 -17.604 1.00 63.14 C ATOM 554 NZ LYS A 35 7.606 -21.087 -18.097 1.00 43.52 N ATOM 0 H LYS A 35 5.822 -15.723 -14.303 1.00 3.34 H new ATOM 0 HA LYS A 35 5.330 -14.524 -16.845 1.00 13.23 H new ATOM 0 HB2 LYS A 35 5.543 -16.496 -18.240 1.00 32.33 H new ATOM 0 HB3 LYS A 35 7.097 -16.144 -17.510 1.00 32.33 H new ATOM 0 HG2 LYS A 35 6.936 -17.967 -15.995 1.00 70.04 H new ATOM 0 HG3 LYS A 35 5.209 -18.138 -16.241 1.00 70.04 H new ATOM 0 HD2 LYS A 35 5.570 -19.614 -17.901 1.00 51.15 H new ATOM 0 HD3 LYS A 35 6.458 -18.406 -18.807 1.00 51.15 H new ATOM 0 HE2 LYS A 35 8.519 -19.175 -18.104 1.00 63.14 H new ATOM 0 HE3 LYS A 35 7.922 -19.687 -16.538 1.00 63.14 H new ATOM 0 HZ1 LYS A 35 8.505 -21.577 -17.914 1.00 43.52 H new ATOM 0 HZ2 LYS A 35 6.836 -21.581 -17.602 1.00 43.52 H new ATOM 0 HZ3 LYS A 35 7.415 -21.084 -19.119 1.00 43.52 H new ATOM 568 N CYS A 36 3.118 -15.960 -16.973 1.00 65.42 N ATOM 569 CA CYS A 36 1.744 -16.400 -16.765 1.00 1.22 C ATOM 570 C CYS A 36 1.553 -17.835 -17.247 1.00 52.24 C ATOM 571 O CYS A 36 1.729 -18.134 -18.429 1.00 43.30 O ATOM 572 CB CYS A 36 0.773 -15.471 -17.496 1.00 1.53 C ATOM 573 SG CYS A 36 0.690 -13.788 -16.802 1.00 50.04 S ATOM 0 H CYS A 36 3.321 -15.647 -17.922 1.00 65.42 H new ATOM 0 HA CYS A 36 1.535 -16.364 -15.696 1.00 1.22 H new ATOM 0 HB2 CYS A 36 1.067 -15.407 -18.543 1.00 1.53 H new ATOM 0 HB3 CYS A 36 -0.223 -15.912 -17.472 1.00 1.53 H new ATOM 578 N THR A 37 1.190 -18.720 -16.325 1.00 21.45 N ATOM 579 CA THR A 37 0.975 -20.124 -16.654 1.00 45.44 C ATOM 580 C THR A 37 -0.504 -20.417 -16.874 1.00 13.32 C ATOM 581 O THR A 37 -0.865 -21.434 -17.465 1.00 75.51 O ATOM 582 CB THR A 37 1.512 -21.050 -15.546 1.00 53.43 C ATOM 583 OG1 THR A 37 1.075 -22.394 -15.777 1.00 44.34 O ATOM 584 CG2 THR A 37 1.038 -20.586 -14.177 1.00 42.42 C ATOM 0 H THR A 37 1.038 -18.489 -15.343 1.00 21.45 H new ATOM 0 HA THR A 37 1.522 -20.319 -17.576 1.00 45.44 H new ATOM 0 HB THR A 37 2.601 -21.013 -15.568 1.00 53.43 H new ATOM 0 HG1 THR A 37 1.422 -22.977 -15.069 1.00 44.34 H new ATOM 0 HG21 THR A 37 1.429 -21.255 -13.410 1.00 42.42 H new ATOM 0 HG22 THR A 37 1.396 -19.573 -13.992 1.00 42.42 H new ATOM 0 HG23 THR A 37 -0.052 -20.597 -14.146 1.00 42.42 H new ATOM 592 N LYS A 38 -1.358 -19.518 -16.395 1.00 20.44 N ATOM 593 CA LYS A 38 -2.800 -19.679 -16.540 1.00 1.23 C ATOM 594 C LYS A 38 -3.493 -18.322 -16.615 1.00 74.31 C ATOM 595 O LYS A 38 -3.041 -17.349 -16.012 1.00 40.01 O ATOM 596 CB LYS A 38 -3.364 -20.488 -15.370 1.00 12.35 C ATOM 597 CG LYS A 38 -4.534 -21.378 -15.753 1.00 45.22 C ATOM 598 CD LYS A 38 -4.115 -22.835 -15.857 1.00 43.33 C ATOM 599 CE LYS A 38 -5.014 -23.606 -16.811 1.00 64.33 C ATOM 600 NZ LYS A 38 -4.398 -24.895 -17.233 1.00 33.20 N ATOM 0 H LYS A 38 -1.076 -18.670 -15.903 1.00 20.44 H new ATOM 0 HA LYS A 38 -2.989 -20.216 -17.469 1.00 1.23 H new ATOM 0 HB2 LYS A 38 -2.570 -21.106 -14.951 1.00 12.35 H new ATOM 0 HB3 LYS A 38 -3.682 -19.802 -14.585 1.00 12.35 H new ATOM 0 HG2 LYS A 38 -5.326 -21.278 -15.011 1.00 45.22 H new ATOM 0 HG3 LYS A 38 -4.947 -21.048 -16.706 1.00 45.22 H new ATOM 0 HD2 LYS A 38 -3.082 -22.894 -16.201 1.00 43.33 H new ATOM 0 HD3 LYS A 38 -4.150 -23.296 -14.870 1.00 43.33 H new ATOM 0 HE2 LYS A 38 -5.972 -23.802 -16.329 1.00 64.33 H new ATOM 0 HE3 LYS A 38 -5.218 -22.996 -17.691 1.00 64.33 H new ATOM 0 HZ1 LYS A 38 -5.041 -25.391 -17.883 1.00 33.20 H new ATOM 0 HZ2 LYS A 38 -3.496 -24.707 -17.715 1.00 33.20 H new ATOM 0 HZ3 LYS A 38 -4.226 -25.488 -16.396 1.00 33.20 H new ATOM 614 N ASP A 39 -4.594 -18.266 -17.357 1.00 64.04 N ATOM 615 CA ASP A 39 -5.351 -17.029 -17.509 1.00 71.21 C ATOM 616 C ASP A 39 -6.022 -16.638 -16.196 1.00 73.41 C ATOM 617 O ASP A 39 -6.252 -17.482 -15.330 1.00 41.43 O ATOM 618 CB ASP A 39 -6.403 -17.182 -18.608 1.00 75.14 C ATOM 619 CG ASP A 39 -7.505 -18.150 -18.224 1.00 73.04 C ATOM 620 OD1 ASP A 39 -7.210 -19.353 -18.069 1.00 71.34 O ATOM 621 OD2 ASP A 39 -8.663 -17.704 -18.080 1.00 32.43 O ATOM 0 H ASP A 39 -4.982 -19.063 -17.862 1.00 64.04 H new ATOM 0 HA ASP A 39 -4.655 -16.238 -17.790 1.00 71.21 H new ATOM 0 HB2 ASP A 39 -6.839 -16.208 -18.827 1.00 75.14 H new ATOM 0 HB3 ASP A 39 -5.921 -17.529 -19.522 1.00 75.14 H new ATOM 626 N ASN A 40 -6.333 -15.354 -16.056 1.00 13.13 N ATOM 627 CA ASN A 40 -6.977 -14.851 -14.847 1.00 44.13 C ATOM 628 C ASN A 40 -6.069 -15.028 -13.634 1.00 1.21 C ATOM 629 O ASN A 40 -6.523 -14.968 -12.492 1.00 73.13 O ATOM 630 CB ASN A 40 -8.305 -15.573 -14.614 1.00 13.32 C ATOM 631 CG ASN A 40 -9.303 -14.717 -13.856 1.00 64.34 C ATOM 632 OD1 ASN A 40 -10.111 -14.009 -14.456 1.00 52.23 O ATOM 633 ND2 ASN A 40 -9.249 -14.780 -12.531 1.00 40.40 N ATOM 0 H ASN A 40 -6.150 -14.643 -16.764 1.00 13.13 H new ATOM 0 HA ASN A 40 -7.169 -13.787 -14.983 1.00 44.13 H new ATOM 0 HB2 ASN A 40 -8.733 -15.861 -15.574 1.00 13.32 H new ATOM 0 HB3 ASN A 40 -8.123 -16.493 -14.058 1.00 13.32 H new ATOM 0 HD21 ASN A 40 -9.895 -14.227 -11.967 1.00 40.40 H new ATOM 0 HD22 ASN A 40 -8.562 -15.381 -12.077 1.00 40.40 H new ATOM 640 N ASN A 41 -4.783 -15.245 -13.890 1.00 60.03 N ATOM 641 CA ASN A 41 -3.811 -15.430 -12.819 1.00 63.52 C ATOM 642 C ASN A 41 -3.766 -14.208 -11.908 1.00 5.22 C ATOM 643 O ASN A 41 -4.599 -13.308 -12.015 1.00 34.31 O ATOM 644 CB ASN A 41 -2.422 -15.697 -13.403 1.00 41.23 C ATOM 645 CG ASN A 41 -1.836 -17.011 -12.926 1.00 31.55 C ATOM 646 OD1 ASN A 41 -2.043 -17.417 -11.782 1.00 3.45 O ATOM 647 ND2 ASN A 41 -1.100 -17.685 -13.802 1.00 53.45 N ATOM 0 H ASN A 41 -4.390 -15.297 -14.830 1.00 60.03 H new ATOM 0 HA ASN A 41 -4.120 -16.291 -12.226 1.00 63.52 H new ATOM 0 HB2 ASN A 41 -2.484 -15.704 -14.491 1.00 41.23 H new ATOM 0 HB3 ASN A 41 -1.752 -14.882 -13.127 1.00 41.23 H new ATOM 0 HD21 ASN A 41 -0.681 -18.576 -13.537 1.00 53.45 H new ATOM 0 HD22 ASN A 41 -0.954 -17.312 -14.740 1.00 53.45 H new ATOM 654 N LYS A 42 -2.785 -14.181 -11.011 1.00 74.11 N ATOM 655 CA LYS A 42 -2.628 -13.069 -10.081 1.00 55.24 C ATOM 656 C LYS A 42 -1.180 -12.592 -10.043 1.00 51.01 C ATOM 657 O LYS A 42 -0.254 -13.365 -10.292 1.00 34.25 O ATOM 658 CB LYS A 42 -3.077 -13.483 -8.678 1.00 55.12 C ATOM 659 CG LYS A 42 -4.211 -12.635 -8.127 1.00 42.12 C ATOM 660 CD LYS A 42 -5.525 -12.937 -8.828 1.00 2.00 C ATOM 661 CE LYS A 42 -5.994 -14.356 -8.545 1.00 41.12 C ATOM 662 NZ LYS A 42 -7.384 -14.385 -8.011 1.00 42.44 N ATOM 0 H LYS A 42 -2.087 -14.917 -10.909 1.00 74.11 H new ATOM 0 HA LYS A 42 -3.254 -12.247 -10.428 1.00 55.24 H new ATOM 0 HB2 LYS A 42 -3.392 -14.526 -8.700 1.00 55.12 H new ATOM 0 HB3 LYS A 42 -2.226 -13.421 -8.000 1.00 55.12 H new ATOM 0 HG2 LYS A 42 -4.317 -12.819 -7.058 1.00 42.12 H new ATOM 0 HG3 LYS A 42 -3.968 -11.579 -8.246 1.00 42.12 H new ATOM 0 HD2 LYS A 42 -6.285 -12.229 -8.499 1.00 2.00 H new ATOM 0 HD3 LYS A 42 -5.405 -12.800 -9.903 1.00 2.00 H new ATOM 0 HE2 LYS A 42 -5.945 -14.944 -9.461 1.00 41.12 H new ATOM 0 HE3 LYS A 42 -5.320 -14.825 -7.828 1.00 41.12 H new ATOM 0 HZ1 LYS A 42 -7.666 -15.370 -7.831 1.00 42.44 H new ATOM 0 HZ2 LYS A 42 -7.426 -13.845 -7.123 1.00 42.44 H new ATOM 0 HZ3 LYS A 42 -8.032 -13.961 -8.705 1.00 42.44 H new ATOM 676 N CYS A 43 -0.991 -11.315 -9.729 1.00 44.21 N ATOM 677 CA CYS A 43 0.345 -10.735 -9.657 1.00 11.41 C ATOM 678 C CYS A 43 0.488 -9.851 -8.421 1.00 22.42 C ATOM 679 O CYS A 43 -0.460 -9.676 -7.655 1.00 73.21 O ATOM 680 CB CYS A 43 0.638 -9.918 -10.917 1.00 72.23 C ATOM 681 SG CYS A 43 -0.085 -10.613 -12.438 1.00 63.42 S ATOM 0 H CYS A 43 -1.746 -10.662 -9.520 1.00 44.21 H new ATOM 0 HA CYS A 43 1.064 -11.551 -9.585 1.00 11.41 H new ATOM 0 HB2 CYS A 43 0.259 -8.906 -10.777 1.00 72.23 H new ATOM 0 HB3 CYS A 43 1.718 -9.840 -11.043 1.00 72.23 H new ATOM 686 N THR A 44 1.681 -9.296 -8.232 1.00 24.31 N ATOM 687 CA THR A 44 1.950 -8.432 -7.089 1.00 62.34 C ATOM 688 C THR A 44 2.846 -7.263 -7.483 1.00 33.11 C ATOM 689 O THR A 44 3.784 -7.422 -8.263 1.00 65.32 O ATOM 690 CB THR A 44 2.618 -9.212 -5.940 1.00 53.55 C ATOM 691 OG1 THR A 44 2.972 -10.527 -6.382 1.00 33.04 O ATOM 692 CG2 THR A 44 1.689 -9.307 -4.740 1.00 14.43 C ATOM 0 H THR A 44 2.477 -9.429 -8.856 1.00 24.31 H new ATOM 0 HA THR A 44 0.988 -8.050 -6.748 1.00 62.34 H new ATOM 0 HB THR A 44 3.518 -8.676 -5.641 1.00 53.55 H new ATOM 0 HG1 THR A 44 3.397 -11.016 -5.647 1.00 33.04 H new ATOM 0 HG21 THR A 44 2.182 -9.862 -3.941 1.00 14.43 H new ATOM 0 HG22 THR A 44 1.445 -8.304 -4.388 1.00 14.43 H new ATOM 0 HG23 THR A 44 0.773 -9.823 -5.029 1.00 14.43 H new ATOM 700 N VAL A 45 2.550 -6.088 -6.937 1.00 42.53 N ATOM 701 CA VAL A 45 3.330 -4.891 -7.230 1.00 62.12 C ATOM 702 C VAL A 45 3.614 -4.095 -5.961 1.00 73.50 C ATOM 703 O VAL A 45 2.695 -3.725 -5.230 1.00 71.11 O ATOM 704 CB VAL A 45 2.606 -3.983 -8.241 1.00 41.45 C ATOM 705 CG1 VAL A 45 3.476 -2.790 -8.606 1.00 43.44 C ATOM 706 CG2 VAL A 45 2.220 -4.771 -9.484 1.00 14.12 C ATOM 0 H VAL A 45 1.776 -5.939 -6.290 1.00 42.53 H new ATOM 0 HA VAL A 45 4.272 -5.226 -7.663 1.00 62.12 H new ATOM 0 HB VAL A 45 1.693 -3.609 -7.778 1.00 41.45 H new ATOM 0 HG11 VAL A 45 2.948 -2.160 -9.321 1.00 43.44 H new ATOM 0 HG12 VAL A 45 3.697 -2.213 -7.708 1.00 43.44 H new ATOM 0 HG13 VAL A 45 4.407 -3.141 -9.050 1.00 43.44 H new ATOM 0 HG21 VAL A 45 1.709 -4.114 -10.188 1.00 14.12 H new ATOM 0 HG22 VAL A 45 3.118 -5.176 -9.952 1.00 14.12 H new ATOM 0 HG23 VAL A 45 1.556 -5.589 -9.205 1.00 14.12 H new ATOM 716 N ASP A 46 4.891 -3.836 -5.705 1.00 41.34 N ATOM 717 CA ASP A 46 5.297 -3.082 -4.525 1.00 14.04 C ATOM 718 C ASP A 46 5.920 -1.747 -4.920 1.00 1.03 C ATOM 719 O ASP A 46 6.804 -1.691 -5.776 1.00 14.41 O ATOM 720 CB ASP A 46 6.288 -3.895 -3.690 1.00 54.20 C ATOM 721 CG ASP A 46 5.713 -4.309 -2.350 1.00 33.31 C ATOM 722 OD1 ASP A 46 4.920 -5.274 -2.317 1.00 43.35 O ATOM 723 OD2 ASP A 46 6.054 -3.669 -1.334 1.00 4.45 O ATOM 0 H ASP A 46 5.663 -4.137 -6.299 1.00 41.34 H new ATOM 0 HA ASP A 46 4.407 -2.884 -3.927 1.00 14.04 H new ATOM 0 HB2 ASP A 46 6.583 -4.785 -4.246 1.00 54.20 H new ATOM 0 HB3 ASP A 46 7.191 -3.306 -3.528 1.00 54.20 H new ATOM 728 N THR A 47 5.454 -0.672 -4.291 1.00 33.41 N ATOM 729 CA THR A 47 5.963 0.662 -4.578 1.00 43.40 C ATOM 730 C THR A 47 7.194 0.975 -3.734 1.00 34.43 C ATOM 731 O THR A 47 7.958 1.888 -4.047 1.00 32.23 O ATOM 732 CB THR A 47 4.892 1.740 -4.322 1.00 64.32 C ATOM 733 OG1 THR A 47 3.656 1.122 -3.946 1.00 45.11 O ATOM 734 CG2 THR A 47 4.681 2.597 -5.561 1.00 34.11 C ATOM 0 H THR A 47 4.724 -0.700 -3.579 1.00 33.41 H new ATOM 0 HA THR A 47 6.236 0.675 -5.633 1.00 43.40 H new ATOM 0 HB THR A 47 5.238 2.381 -3.511 1.00 64.32 H new ATOM 0 HG1 THR A 47 2.936 1.453 -4.522 1.00 45.11 H new ATOM 0 HG21 THR A 47 3.921 3.351 -5.357 1.00 34.11 H new ATOM 0 HG22 THR A 47 5.617 3.088 -5.827 1.00 34.11 H new ATOM 0 HG23 THR A 47 4.354 1.967 -6.388 1.00 34.11 H new ATOM 742 N TYR A 48 7.380 0.211 -2.663 1.00 73.21 N ATOM 743 CA TYR A 48 8.517 0.407 -1.772 1.00 42.44 C ATOM 744 C TYR A 48 9.758 -0.299 -2.309 1.00 61.52 C ATOM 745 O TYR A 48 10.864 0.236 -2.253 1.00 41.22 O ATOM 746 CB TYR A 48 8.189 -0.109 -0.370 1.00 41.23 C ATOM 747 CG TYR A 48 8.026 0.989 0.656 1.00 3.24 C ATOM 748 CD1 TYR A 48 6.798 1.609 0.850 1.00 50.41 C ATOM 749 CD2 TYR A 48 9.100 1.407 1.432 1.00 4.11 C ATOM 750 CE1 TYR A 48 6.644 2.613 1.786 1.00 4.52 C ATOM 751 CE2 TYR A 48 8.956 2.409 2.372 1.00 52.22 C ATOM 752 CZ TYR A 48 7.726 3.009 2.545 1.00 1.50 C ATOM 753 OH TYR A 48 7.578 4.009 3.479 1.00 2.10 O ATOM 0 H TYR A 48 6.758 -0.550 -2.391 1.00 73.21 H new ATOM 0 HA TYR A 48 8.724 1.476 -1.719 1.00 42.44 H new ATOM 0 HB2 TYR A 48 7.270 -0.694 -0.413 1.00 41.23 H new ATOM 0 HB3 TYR A 48 8.981 -0.783 -0.045 1.00 41.23 H new ATOM 0 HD1 TYR A 48 5.949 1.300 0.258 1.00 50.41 H new ATOM 0 HD2 TYR A 48 10.065 0.940 1.298 1.00 4.11 H new ATOM 0 HE1 TYR A 48 5.682 3.085 1.923 1.00 4.52 H new ATOM 0 HE2 TYR A 48 9.801 2.721 2.968 1.00 52.22 H new ATOM 0 HH TYR A 48 8.435 4.167 3.928 1.00 2.10 H new ATOM 763 N ASN A 49 9.564 -1.507 -2.830 1.00 44.33 N ATOM 764 CA ASN A 49 10.667 -2.289 -3.378 1.00 50.40 C ATOM 765 C ASN A 49 10.661 -2.244 -4.903 1.00 54.10 C ATOM 766 O ASN A 49 11.575 -2.749 -5.553 1.00 2.24 O ATOM 767 CB ASN A 49 10.579 -3.739 -2.899 1.00 15.02 C ATOM 768 CG ASN A 49 10.968 -3.891 -1.441 1.00 63.12 C ATOM 769 OD1 ASN A 49 11.877 -3.216 -0.956 1.00 73.33 O ATOM 770 ND2 ASN A 49 10.281 -4.781 -0.735 1.00 30.21 N ATOM 0 H ASN A 49 8.654 -1.965 -2.884 1.00 44.33 H new ATOM 0 HA ASN A 49 11.601 -1.852 -3.023 1.00 50.40 H new ATOM 0 HB2 ASN A 49 9.562 -4.105 -3.041 1.00 15.02 H new ATOM 0 HB3 ASN A 49 11.230 -4.362 -3.513 1.00 15.02 H new ATOM 0 HD21 ASN A 49 10.498 -4.928 0.251 1.00 30.21 H new ATOM 0 HD22 ASN A 49 9.536 -5.318 -1.178 1.00 30.21 H new ATOM 777 N ASN A 50 9.623 -1.635 -5.467 1.00 73.04 N ATOM 778 CA ASN A 50 9.497 -1.524 -6.916 1.00 51.11 C ATOM 779 C ASN A 50 9.662 -2.886 -7.583 1.00 21.34 C ATOM 780 O ASN A 50 10.118 -2.980 -8.722 1.00 24.24 O ATOM 781 CB ASN A 50 10.537 -0.545 -7.466 1.00 32.44 C ATOM 782 CG ASN A 50 9.929 0.474 -8.410 1.00 2.24 C ATOM 783 OD1 ASN A 50 10.100 0.390 -9.626 1.00 25.12 O ATOM 784 ND2 ASN A 50 9.215 1.445 -7.852 1.00 30.22 N ATOM 0 H ASN A 50 8.857 -1.211 -4.943 1.00 73.04 H new ATOM 0 HA ASN A 50 8.499 -1.148 -7.141 1.00 51.11 H new ATOM 0 HB2 ASN A 50 11.018 -0.026 -6.637 1.00 32.44 H new ATOM 0 HB3 ASN A 50 11.315 -1.101 -7.988 1.00 32.44 H new ATOM 0 HD21 ASN A 50 8.782 2.160 -8.436 1.00 30.22 H new ATOM 0 HD22 ASN A 50 9.099 1.475 -6.839 1.00 30.22 H new ATOM 791 N ALA A 51 9.287 -3.940 -6.864 1.00 41.32 N ATOM 792 CA ALA A 51 9.391 -5.297 -7.386 1.00 51.44 C ATOM 793 C ALA A 51 8.020 -5.844 -7.769 1.00 41.12 C ATOM 794 O ALA A 51 7.065 -5.750 -6.998 1.00 2.51 O ATOM 795 CB ALA A 51 10.058 -6.206 -6.365 1.00 11.43 C ATOM 0 H ALA A 51 8.909 -3.880 -5.919 1.00 41.32 H new ATOM 0 HA ALA A 51 10.006 -5.268 -8.286 1.00 51.44 H new ATOM 0 HB1 ALA A 51 10.129 -7.216 -6.769 1.00 11.43 H new ATOM 0 HB2 ALA A 51 11.058 -5.833 -6.144 1.00 11.43 H new ATOM 0 HB3 ALA A 51 9.466 -6.222 -5.450 1.00 11.43 H new ATOM 801 N VAL A 52 7.929 -6.416 -8.966 1.00 24.03 N ATOM 802 CA VAL A 52 6.675 -6.979 -9.451 1.00 20.02 C ATOM 803 C VAL A 52 6.796 -8.483 -9.671 1.00 2.33 C ATOM 804 O VAL A 52 7.829 -8.972 -10.128 1.00 71.32 O ATOM 805 CB VAL A 52 6.233 -6.313 -10.767 1.00 53.22 C ATOM 806 CG1 VAL A 52 6.224 -4.799 -10.623 1.00 13.42 C ATOM 807 CG2 VAL A 52 7.138 -6.742 -11.912 1.00 23.14 C ATOM 0 H VAL A 52 8.709 -6.501 -9.617 1.00 24.03 H new ATOM 0 HA VAL A 52 5.924 -6.786 -8.685 1.00 20.02 H new ATOM 0 HB VAL A 52 5.218 -6.638 -10.995 1.00 53.22 H new ATOM 0 HG11 VAL A 52 5.909 -4.346 -11.563 1.00 13.42 H new ATOM 0 HG12 VAL A 52 5.531 -4.513 -9.832 1.00 13.42 H new ATOM 0 HG13 VAL A 52 7.226 -4.452 -10.370 1.00 13.42 H new ATOM 0 HG21 VAL A 52 6.811 -6.262 -12.834 1.00 23.14 H new ATOM 0 HG22 VAL A 52 8.165 -6.448 -11.694 1.00 23.14 H new ATOM 0 HG23 VAL A 52 7.088 -7.825 -12.029 1.00 23.14 H new ATOM 817 N ASP A 53 5.734 -9.210 -9.342 1.00 64.43 N ATOM 818 CA ASP A 53 5.720 -10.659 -9.505 1.00 65.53 C ATOM 819 C ASP A 53 4.374 -11.133 -10.043 1.00 14.11 C ATOM 820 O ASP A 53 3.344 -10.989 -9.383 1.00 2.13 O ATOM 821 CB ASP A 53 6.022 -11.347 -8.173 1.00 12.14 C ATOM 822 CG ASP A 53 7.092 -12.413 -8.300 1.00 71.22 C ATOM 823 OD1 ASP A 53 6.818 -13.455 -8.932 1.00 4.02 O ATOM 824 OD2 ASP A 53 8.203 -12.206 -7.768 1.00 34.45 O ATOM 0 H ASP A 53 4.872 -8.820 -8.961 1.00 64.43 H new ATOM 0 HA ASP A 53 6.493 -10.926 -10.226 1.00 65.53 H new ATOM 0 HB2 ASP A 53 6.342 -10.600 -7.446 1.00 12.14 H new ATOM 0 HB3 ASP A 53 5.109 -11.798 -7.785 1.00 12.14 H new ATOM 829 N CYS A 54 4.388 -11.697 -11.246 1.00 31.53 N ATOM 830 CA CYS A 54 3.168 -12.191 -11.874 1.00 4.01 C ATOM 831 C CYS A 54 3.194 -13.712 -11.990 1.00 72.34 C ATOM 832 O CYS A 54 4.236 -14.307 -12.265 1.00 4.13 O ATOM 833 CB CYS A 54 2.994 -11.565 -13.259 1.00 60.21 C ATOM 834 SG CYS A 54 4.456 -11.721 -14.335 1.00 31.23 S ATOM 0 H CYS A 54 5.231 -11.823 -11.806 1.00 31.53 H new ATOM 0 HA CYS A 54 2.324 -11.907 -11.246 1.00 4.01 H new ATOM 0 HB2 CYS A 54 2.142 -12.032 -13.752 1.00 60.21 H new ATOM 0 HB3 CYS A 54 2.754 -10.508 -13.141 1.00 60.21 H new ATOM 839 N ASP A 55 2.040 -14.335 -11.780 1.00 75.44 N ATOM 840 CA ASP A 55 1.928 -15.787 -11.863 1.00 61.11 C ATOM 841 C ASP A 55 1.376 -16.213 -13.220 1.00 31.33 C ATOM 842 O ASP A 55 0.565 -15.507 -13.821 1.00 2.14 O ATOM 843 CB ASP A 55 1.030 -16.316 -10.744 1.00 14.51 C ATOM 844 CG ASP A 55 1.774 -17.221 -9.783 1.00 20.33 C ATOM 845 OD1 ASP A 55 1.890 -18.429 -10.076 1.00 31.41 O ATOM 846 OD2 ASP A 55 2.240 -16.722 -8.737 1.00 31.22 O ATOM 0 H ASP A 55 1.168 -13.857 -11.551 1.00 75.44 H new ATOM 0 HA ASP A 55 2.926 -16.211 -11.748 1.00 61.11 H new ATOM 0 HB2 ASP A 55 0.607 -15.476 -10.193 1.00 14.51 H new ATOM 0 HB3 ASP A 55 0.195 -16.863 -11.181 1.00 14.51 H new