USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 394 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 6 TYR OH : rot 165:sc= -0.76 USER MOD Set 1.2: A 20 GLN : amide:sc= 0 X(o=-0.76,f=-1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.0143 X(o=-0.014,f=-0.014) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0671 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.527 USER MOD Single : A 15 ASN : amide:sc= -0.679 K(o=-0.68,f=-7.2!) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.14) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0.0574 USER MOD Single : A 27 ASN : amide:sc= -4.18! C(o=-4.2!,f=-15!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 1.14 K(o=1.1,f=-9.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.202 X(o=-0.2,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.392 13.321 -13.287 1.00 0.00 N ATOM 2 CA GLY A 1 1.923 13.454 -11.888 1.00 0.00 C ATOM 3 C GLY A 1 2.806 12.684 -10.936 1.00 0.00 C ATOM 4 O GLY A 1 4.031 12.818 -10.973 1.00 0.00 O ATOM 0 H1 GLY A 1 1.765 13.861 -13.916 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.361 13.690 -13.365 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.380 12.318 -13.563 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.911 14.507 -11.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.898 13.091 -11.810 1.00 0.00 H new ATOM 8 N THR A 2 2.194 11.871 -10.094 1.00 0.00 N ATOM 9 CA THR A 2 2.938 11.041 -9.166 1.00 0.00 C ATOM 10 C THR A 2 2.174 9.755 -8.890 1.00 0.00 C ATOM 11 O THR A 2 0.948 9.763 -8.764 1.00 0.00 O ATOM 12 CB THR A 2 3.233 11.778 -7.837 1.00 0.00 C ATOM 13 OG1 THR A 2 4.023 10.946 -6.977 1.00 0.00 O ATOM 14 CG2 THR A 2 1.949 12.173 -7.119 1.00 0.00 C ATOM 0 H THR A 2 1.181 11.768 -10.034 1.00 0.00 H new ATOM 0 HA THR A 2 3.895 10.805 -9.631 1.00 0.00 H new ATOM 0 HB THR A 2 3.783 12.687 -8.080 1.00 0.00 H new ATOM 0 HG1 THR A 2 4.206 11.421 -6.140 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.195 12.688 -6.190 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.364 12.835 -7.757 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.368 11.279 -6.895 1.00 0.00 H new ATOM 22 N ASN A 3 2.903 8.650 -8.833 1.00 0.00 N ATOM 23 CA ASN A 3 2.325 7.342 -8.564 1.00 0.00 C ATOM 24 C ASN A 3 3.437 6.327 -8.358 1.00 0.00 C ATOM 25 O ASN A 3 4.356 6.226 -9.170 1.00 0.00 O ATOM 26 CB ASN A 3 1.388 6.899 -9.707 1.00 0.00 C ATOM 27 CG ASN A 3 2.074 6.819 -11.063 1.00 0.00 C ATOM 28 OD1 ASN A 3 2.174 7.816 -11.781 1.00 0.00 O ATOM 29 ND2 ASN A 3 2.509 5.626 -11.443 1.00 0.00 N ATOM 0 H ASN A 3 3.913 8.635 -8.972 1.00 0.00 H new ATOM 0 HA ASN A 3 1.725 7.407 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.969 5.923 -9.464 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.554 7.597 -9.772 1.00 0.00 H new ATOM 0 HD21 ASN A 3 2.944 5.510 -12.358 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.408 4.824 -10.820 1.00 0.00 H new ATOM 36 N THR A 4 3.396 5.619 -7.247 1.00 0.00 N ATOM 37 CA THR A 4 4.366 4.586 -6.976 1.00 0.00 C ATOM 38 C THR A 4 3.634 3.332 -6.515 1.00 0.00 C ATOM 39 O THR A 4 2.475 3.407 -6.117 1.00 0.00 O ATOM 40 CB THR A 4 5.358 5.083 -5.898 1.00 0.00 C ATOM 41 OG1 THR A 4 6.043 6.247 -6.383 1.00 0.00 O ATOM 42 CG2 THR A 4 6.376 4.018 -5.508 1.00 0.00 C ATOM 0 H THR A 4 2.696 5.744 -6.516 1.00 0.00 H new ATOM 0 HA THR A 4 4.933 4.349 -7.876 1.00 0.00 H new ATOM 0 HB THR A 4 4.780 5.322 -5.005 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.671 6.565 -5.701 1.00 0.00 H new ATOM 0 HG21 THR A 4 7.048 4.418 -4.749 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.856 3.146 -5.110 1.00 0.00 H new ATOM 0 HG23 THR A 4 6.953 3.727 -6.386 1.00 0.00 H new ATOM 50 N TYR A 5 4.267 2.183 -6.625 1.00 0.00 N ATOM 51 CA TYR A 5 3.720 0.976 -6.038 1.00 0.00 C ATOM 52 C TYR A 5 4.779 0.261 -5.222 1.00 0.00 C ATOM 53 O TYR A 5 5.966 0.297 -5.550 1.00 0.00 O ATOM 54 CB TYR A 5 3.113 0.037 -7.094 1.00 0.00 C ATOM 55 CG TYR A 5 3.734 0.142 -8.466 1.00 0.00 C ATOM 56 CD1 TYR A 5 4.925 -0.501 -8.779 1.00 0.00 C ATOM 57 CD2 TYR A 5 3.108 0.882 -9.457 1.00 0.00 C ATOM 58 CE1 TYR A 5 5.472 -0.405 -10.046 1.00 0.00 C ATOM 59 CE2 TYR A 5 3.646 0.986 -10.720 1.00 0.00 C ATOM 60 CZ TYR A 5 4.828 0.340 -11.013 1.00 0.00 C ATOM 61 OH TYR A 5 5.363 0.436 -12.279 1.00 0.00 O ATOM 0 H TYR A 5 5.155 2.058 -7.112 1.00 0.00 H new ATOM 0 HA TYR A 5 2.906 1.274 -5.377 1.00 0.00 H new ATOM 0 HB2 TYR A 5 3.210 -0.991 -6.744 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.047 0.247 -7.176 1.00 0.00 H new ATOM 0 HD1 TYR A 5 5.431 -1.084 -8.023 1.00 0.00 H new ATOM 0 HD2 TYR A 5 2.180 1.387 -9.234 1.00 0.00 H new ATOM 0 HE1 TYR A 5 6.398 -0.910 -10.277 1.00 0.00 H new ATOM 0 HE2 TYR A 5 3.145 1.571 -11.477 1.00 0.00 H new ATOM 0 HH TYR A 5 4.784 0.997 -12.837 1.00 0.00 H new ATOM 71 N TYR A 6 4.335 -0.374 -4.160 1.00 0.00 N ATOM 72 CA TYR A 6 5.215 -1.035 -3.223 1.00 0.00 C ATOM 73 C TYR A 6 4.925 -2.528 -3.194 1.00 0.00 C ATOM 74 O TYR A 6 3.776 -2.940 -3.016 1.00 0.00 O ATOM 75 CB TYR A 6 5.016 -0.407 -1.836 1.00 0.00 C ATOM 76 CG TYR A 6 5.610 -1.180 -0.680 1.00 0.00 C ATOM 77 CD1 TYR A 6 6.966 -1.118 -0.392 1.00 0.00 C ATOM 78 CD2 TYR A 6 4.797 -1.952 0.140 1.00 0.00 C ATOM 79 CE1 TYR A 6 7.496 -1.808 0.683 1.00 0.00 C ATOM 80 CE2 TYR A 6 5.319 -2.646 1.211 1.00 0.00 C ATOM 81 CZ TYR A 6 6.667 -2.570 1.481 1.00 0.00 C ATOM 82 OH TYR A 6 7.188 -3.253 2.557 1.00 0.00 O ATOM 0 H TYR A 6 3.346 -0.447 -3.921 1.00 0.00 H new ATOM 0 HA TYR A 6 6.253 -0.906 -3.529 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.450 0.593 -1.843 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.947 -0.289 -1.660 1.00 0.00 H new ATOM 0 HD1 TYR A 6 7.616 -0.523 -1.016 1.00 0.00 H new ATOM 0 HD2 TYR A 6 3.738 -2.010 -0.065 1.00 0.00 H new ATOM 0 HE1 TYR A 6 8.553 -1.751 0.897 1.00 0.00 H new ATOM 0 HE2 TYR A 6 4.674 -3.246 1.835 1.00 0.00 H new ATOM 0 HH TYR A 6 6.460 -3.538 3.147 1.00 0.00 H new ATOM 92 N THR A 7 5.955 -3.332 -3.404 1.00 0.00 N ATOM 93 CA THR A 7 5.814 -4.767 -3.271 1.00 0.00 C ATOM 94 C THR A 7 5.645 -5.145 -1.815 1.00 0.00 C ATOM 95 O THR A 7 6.509 -4.861 -0.984 1.00 0.00 O ATOM 96 CB THR A 7 7.002 -5.532 -3.877 1.00 0.00 C ATOM 97 OG1 THR A 7 8.190 -4.725 -3.848 1.00 0.00 O ATOM 98 CG2 THR A 7 6.687 -5.975 -5.294 1.00 0.00 C ATOM 0 H THR A 7 6.889 -3.016 -3.665 1.00 0.00 H new ATOM 0 HA THR A 7 4.923 -5.053 -3.830 1.00 0.00 H new ATOM 0 HB THR A 7 7.180 -6.423 -3.274 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.937 -5.228 -4.236 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.540 -6.514 -5.705 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.815 -6.628 -5.285 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.479 -5.101 -5.911 1.00 0.00 H new ATOM 106 N VAL A 8 4.517 -5.766 -1.516 1.00 0.00 N ATOM 107 CA VAL A 8 4.182 -6.139 -0.157 1.00 0.00 C ATOM 108 C VAL A 8 5.259 -7.031 0.448 1.00 0.00 C ATOM 109 O VAL A 8 5.528 -8.134 -0.033 1.00 0.00 O ATOM 110 CB VAL A 8 2.831 -6.862 -0.089 1.00 0.00 C ATOM 111 CG1 VAL A 8 2.552 -7.310 1.336 1.00 0.00 C ATOM 112 CG2 VAL A 8 1.713 -5.963 -0.606 1.00 0.00 C ATOM 0 H VAL A 8 3.812 -6.024 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 8 4.116 -5.215 0.417 1.00 0.00 H new ATOM 0 HB VAL A 8 2.872 -7.744 -0.728 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.591 -7.822 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.339 -7.989 1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.526 -6.440 1.992 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.763 -6.495 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.661 -5.061 0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.915 -5.690 -1.642 1.00 0.00 H new ATOM 122 N LYS A 9 5.877 -6.513 1.485 1.00 0.00 N ATOM 123 CA LYS A 9 6.891 -7.214 2.245 1.00 0.00 C ATOM 124 C LYS A 9 6.280 -7.728 3.541 1.00 0.00 C ATOM 125 O LYS A 9 5.060 -7.690 3.693 1.00 0.00 O ATOM 126 CB LYS A 9 8.078 -6.298 2.523 1.00 0.00 C ATOM 127 CG LYS A 9 8.833 -5.857 1.270 1.00 0.00 C ATOM 128 CD LYS A 9 9.605 -7.003 0.623 1.00 0.00 C ATOM 129 CE LYS A 9 8.727 -7.870 -0.273 1.00 0.00 C ATOM 130 NZ LYS A 9 9.456 -9.079 -0.739 1.00 0.00 N ATOM 0 H LYS A 9 5.686 -5.573 1.832 1.00 0.00 H new ATOM 0 HA LYS A 9 7.258 -8.062 1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.724 -5.413 3.051 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.771 -6.811 3.190 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.126 -5.446 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.526 -5.056 1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.427 -6.596 0.035 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.047 -7.624 1.402 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.832 -8.170 0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.396 -7.288 -1.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.832 -9.648 -1.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.296 -8.791 -1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.750 -9.645 0.082 1.00 0.00 H new ATOM 144 N SER A 10 7.113 -8.284 4.425 1.00 0.00 N ATOM 145 CA SER A 10 6.665 -8.784 5.734 1.00 0.00 C ATOM 146 C SER A 10 5.696 -7.821 6.450 1.00 0.00 C ATOM 147 O SER A 10 4.990 -8.220 7.380 1.00 0.00 O ATOM 148 CB SER A 10 7.875 -9.057 6.624 1.00 0.00 C ATOM 149 OG SER A 10 8.765 -9.968 5.999 1.00 0.00 O ATOM 0 H SER A 10 8.112 -8.401 4.258 1.00 0.00 H new ATOM 0 HA SER A 10 6.114 -9.706 5.549 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.394 -8.122 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 10 7.545 -9.463 7.580 1.00 0.00 H new ATOM 0 HG SER A 10 9.534 -10.128 6.585 1.00 0.00 H new ATOM 155 N GLY A 11 5.677 -6.558 6.028 1.00 0.00 N ATOM 156 CA GLY A 11 4.616 -5.648 6.425 1.00 0.00 C ATOM 157 C GLY A 11 3.301 -6.019 5.753 1.00 0.00 C ATOM 158 O GLY A 11 2.711 -5.234 5.024 1.00 0.00 O ATOM 0 H GLY A 11 6.382 -6.148 5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.495 -5.674 7.508 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.889 -4.627 6.159 1.00 0.00 H new ATOM 162 N ASP A 12 2.847 -7.226 6.030 1.00 0.00 N ATOM 163 CA ASP A 12 1.690 -7.828 5.371 1.00 0.00 C ATOM 164 C ASP A 12 0.374 -7.143 5.726 1.00 0.00 C ATOM 165 O ASP A 12 -0.685 -7.537 5.239 1.00 0.00 O ATOM 166 CB ASP A 12 1.593 -9.301 5.732 1.00 0.00 C ATOM 167 CG ASP A 12 1.149 -9.513 7.165 1.00 0.00 C ATOM 168 OD1 ASP A 12 1.943 -9.231 8.092 1.00 0.00 O ATOM 169 OD2 ASP A 12 0.002 -9.949 7.374 1.00 0.00 O ATOM 0 H ASP A 12 3.275 -7.831 6.731 1.00 0.00 H new ATOM 0 HA ASP A 12 1.847 -7.702 4.300 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.890 -9.792 5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.563 -9.775 5.580 1.00 0.00 H new ATOM 174 N THR A 13 0.417 -6.168 6.608 1.00 0.00 N ATOM 175 CA THR A 13 -0.805 -5.566 7.101 1.00 0.00 C ATOM 176 C THR A 13 -0.855 -4.099 6.702 1.00 0.00 C ATOM 177 O THR A 13 0.176 -3.419 6.704 1.00 0.00 O ATOM 178 CB THR A 13 -0.898 -5.717 8.632 1.00 0.00 C ATOM 179 OG1 THR A 13 -0.689 -7.091 8.990 1.00 0.00 O ATOM 180 CG2 THR A 13 -2.249 -5.265 9.155 1.00 0.00 C ATOM 0 H THR A 13 1.276 -5.777 6.996 1.00 0.00 H new ATOM 0 HA THR A 13 -1.658 -6.079 6.657 1.00 0.00 H new ATOM 0 HB THR A 13 -0.130 -5.087 9.080 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.746 -7.188 9.964 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.279 -5.386 10.238 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.405 -4.216 8.902 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.035 -5.868 8.701 1.00 0.00 H new ATOM 188 N LEU A 14 -2.055 -3.620 6.388 1.00 0.00 N ATOM 189 CA LEU A 14 -2.238 -2.277 5.843 1.00 0.00 C ATOM 190 C LEU A 14 -1.622 -1.226 6.752 1.00 0.00 C ATOM 191 O LEU A 14 -0.881 -0.355 6.297 1.00 0.00 O ATOM 192 CB LEU A 14 -3.729 -1.957 5.686 1.00 0.00 C ATOM 193 CG LEU A 14 -4.477 -2.587 4.502 1.00 0.00 C ATOM 194 CD1 LEU A 14 -4.003 -1.993 3.191 1.00 0.00 C ATOM 195 CD2 LEU A 14 -4.328 -4.099 4.485 1.00 0.00 C ATOM 0 H LEU A 14 -2.922 -4.146 6.502 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.744 -2.256 4.872 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.235 -2.262 6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.833 -0.875 5.610 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.536 -2.360 4.626 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.546 -2.453 2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.186 -0.918 3.191 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.936 -2.179 3.072 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.871 -4.509 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.273 -4.360 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.733 -4.515 5.407 1.00 0.00 H new ATOM 207 N ASN A 15 -1.912 -1.332 8.040 1.00 0.00 N ATOM 208 CA ASN A 15 -1.466 -0.340 9.007 1.00 0.00 C ATOM 209 C ASN A 15 0.053 -0.343 9.182 1.00 0.00 C ATOM 210 O ASN A 15 0.644 0.705 9.444 1.00 0.00 O ATOM 211 CB ASN A 15 -2.178 -0.525 10.360 1.00 0.00 C ATOM 212 CG ASN A 15 -2.108 -1.941 10.916 1.00 0.00 C ATOM 213 OD1 ASN A 15 -1.155 -2.683 10.681 1.00 0.00 O ATOM 214 ND2 ASN A 15 -3.135 -2.328 11.659 1.00 0.00 N ATOM 0 H ASN A 15 -2.455 -2.097 8.441 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.739 0.637 8.608 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.739 0.160 11.085 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.225 -0.242 10.248 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -3.152 -3.267 12.056 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.909 -1.687 11.834 1.00 0.00 H new ATOM 221 N LYS A 16 0.691 -1.502 9.021 1.00 0.00 N ATOM 222 CA LYS A 16 2.133 -1.594 9.227 1.00 0.00 C ATOM 223 C LYS A 16 2.885 -0.905 8.096 1.00 0.00 C ATOM 224 O LYS A 16 3.777 -0.083 8.333 1.00 0.00 O ATOM 225 CB LYS A 16 2.586 -3.057 9.331 1.00 0.00 C ATOM 226 CG LYS A 16 2.020 -3.799 10.535 1.00 0.00 C ATOM 227 CD LYS A 16 2.685 -5.157 10.739 1.00 0.00 C ATOM 228 CE LYS A 16 2.443 -6.090 9.564 1.00 0.00 C ATOM 229 NZ LYS A 16 3.095 -7.412 9.763 1.00 0.00 N ATOM 0 H LYS A 16 0.240 -2.376 8.753 1.00 0.00 H new ATOM 0 HA LYS A 16 2.362 -1.090 10.166 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.292 -3.583 8.423 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.675 -3.087 9.378 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.155 -3.192 11.430 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.947 -3.938 10.403 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.757 -5.019 10.878 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.302 -5.615 11.651 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.371 -6.231 9.427 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.823 -5.631 8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.720 -8.092 9.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.122 -7.316 9.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.899 -7.754 10.725 1.00 0.00 H new ATOM 243 N ILE A 17 2.496 -1.208 6.865 1.00 0.00 N ATOM 244 CA ILE A 17 3.180 -0.654 5.709 1.00 0.00 C ATOM 245 C ILE A 17 2.829 0.810 5.489 1.00 0.00 C ATOM 246 O ILE A 17 3.687 1.613 5.127 1.00 0.00 O ATOM 247 CB ILE A 17 2.920 -1.465 4.426 1.00 0.00 C ATOM 248 CG1 ILE A 17 1.473 -1.949 4.325 1.00 0.00 C ATOM 249 CG2 ILE A 17 3.870 -2.639 4.365 1.00 0.00 C ATOM 250 CD1 ILE A 17 1.174 -2.638 3.013 1.00 0.00 C ATOM 0 H ILE A 17 1.717 -1.829 6.644 1.00 0.00 H new ATOM 0 HA ILE A 17 4.245 -0.720 5.932 1.00 0.00 H new ATOM 0 HB ILE A 17 3.094 -0.803 3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.267 -2.636 5.146 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.801 -1.099 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.684 -3.211 3.456 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.898 -2.276 4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.715 -3.278 5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.132 -2.959 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.351 -1.946 2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 17 1.823 -3.507 2.902 1.00 0.00 H new ATOM 262 N ALA A 18 1.573 1.158 5.722 1.00 0.00 N ATOM 263 CA ALA A 18 1.127 2.544 5.608 1.00 0.00 C ATOM 264 C ALA A 18 1.936 3.450 6.522 1.00 0.00 C ATOM 265 O ALA A 18 2.438 4.495 6.101 1.00 0.00 O ATOM 266 CB ALA A 18 -0.341 2.654 5.963 1.00 0.00 C ATOM 0 H ALA A 18 0.841 0.501 5.992 1.00 0.00 H new ATOM 0 HA ALA A 18 1.276 2.861 4.576 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.660 3.692 5.874 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.927 2.035 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.494 2.314 6.987 1.00 0.00 H new ATOM 272 N ALA A 19 2.072 3.032 7.773 1.00 0.00 N ATOM 273 CA ALA A 19 2.823 3.796 8.756 1.00 0.00 C ATOM 274 C ALA A 19 4.312 3.777 8.432 1.00 0.00 C ATOM 275 O ALA A 19 5.048 4.683 8.817 1.00 0.00 O ATOM 276 CB ALA A 19 2.575 3.254 10.154 1.00 0.00 C ATOM 0 H ALA A 19 1.670 2.165 8.131 1.00 0.00 H new ATOM 0 HA ALA A 19 2.479 4.830 8.720 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.145 3.838 10.877 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.513 3.324 10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.889 2.211 10.201 1.00 0.00 H new ATOM 282 N GLN A 20 4.746 2.747 7.708 1.00 0.00 N ATOM 283 CA GLN A 20 6.160 2.610 7.350 1.00 0.00 C ATOM 284 C GLN A 20 6.646 3.799 6.520 1.00 0.00 C ATOM 285 O GLN A 20 7.699 4.371 6.806 1.00 0.00 O ATOM 286 CB GLN A 20 6.411 1.319 6.572 1.00 0.00 C ATOM 287 CG GLN A 20 7.871 1.135 6.185 1.00 0.00 C ATOM 288 CD GLN A 20 8.096 -0.028 5.242 1.00 0.00 C ATOM 289 OE1 GLN A 20 7.368 -1.019 5.267 1.00 0.00 O ATOM 290 NE2 GLN A 20 9.110 0.086 4.400 1.00 0.00 N ATOM 0 H GLN A 20 4.146 2.000 7.359 1.00 0.00 H new ATOM 0 HA GLN A 20 6.719 2.580 8.285 1.00 0.00 H new ATOM 0 HB2 GLN A 20 6.090 0.469 7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 20 5.799 1.319 5.670 1.00 0.00 H new ATOM 0 HG2 GLN A 20 8.234 2.050 5.716 1.00 0.00 H new ATOM 0 HG3 GLN A 20 8.463 0.982 7.087 1.00 0.00 H new ATOM 0 HE21 GLN A 20 9.690 0.925 4.411 1.00 0.00 H new ATOM 0 HE22 GLN A 20 9.311 -0.665 3.740 1.00 0.00 H new ATOM 299 N TYR A 21 5.883 4.177 5.500 1.00 0.00 N ATOM 300 CA TYR A 21 6.273 5.299 4.648 1.00 0.00 C ATOM 301 C TYR A 21 5.449 6.550 4.941 1.00 0.00 C ATOM 302 O TYR A 21 5.473 7.516 4.175 1.00 0.00 O ATOM 303 CB TYR A 21 6.213 4.937 3.155 1.00 0.00 C ATOM 304 CG TYR A 21 5.181 3.896 2.775 1.00 0.00 C ATOM 305 CD1 TYR A 21 3.821 4.139 2.906 1.00 0.00 C ATOM 306 CD2 TYR A 21 5.581 2.668 2.259 1.00 0.00 C ATOM 307 CE1 TYR A 21 2.888 3.187 2.536 1.00 0.00 C ATOM 308 CE2 TYR A 21 4.656 1.711 1.889 1.00 0.00 C ATOM 309 CZ TYR A 21 3.312 1.976 2.028 1.00 0.00 C ATOM 310 OH TYR A 21 2.388 1.026 1.658 1.00 0.00 O ATOM 0 H TYR A 21 5.002 3.731 5.244 1.00 0.00 H new ATOM 0 HA TYR A 21 7.312 5.524 4.889 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.013 5.845 2.587 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.195 4.578 2.847 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.486 5.086 3.303 1.00 0.00 H new ATOM 0 HD2 TYR A 21 6.634 2.459 2.145 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.833 3.391 2.644 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.985 0.761 1.493 1.00 0.00 H new ATOM 0 HH TYR A 21 2.853 0.232 1.320 1.00 0.00 H new ATOM 320 N GLY A 22 4.731 6.524 6.053 1.00 0.00 N ATOM 321 CA GLY A 22 4.070 7.718 6.541 1.00 0.00 C ATOM 322 C GLY A 22 2.900 8.158 5.687 1.00 0.00 C ATOM 323 O GLY A 22 2.803 9.326 5.312 1.00 0.00 O ATOM 0 H GLY A 22 4.593 5.694 6.629 1.00 0.00 H new ATOM 0 HA2 GLY A 22 3.719 7.539 7.557 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.796 8.529 6.593 1.00 0.00 H new ATOM 327 N VAL A 23 2.019 7.229 5.362 1.00 0.00 N ATOM 328 CA VAL A 23 0.801 7.567 4.646 1.00 0.00 C ATOM 329 C VAL A 23 -0.388 6.913 5.352 1.00 0.00 C ATOM 330 O VAL A 23 -0.203 6.110 6.272 1.00 0.00 O ATOM 331 CB VAL A 23 0.867 7.140 3.155 1.00 0.00 C ATOM 332 CG1 VAL A 23 0.441 5.689 2.963 1.00 0.00 C ATOM 333 CG2 VAL A 23 0.060 8.089 2.280 1.00 0.00 C ATOM 0 H VAL A 23 2.123 6.238 5.581 1.00 0.00 H new ATOM 0 HA VAL A 23 0.681 8.650 4.653 1.00 0.00 H new ATOM 0 HB VAL A 23 1.908 7.205 2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.501 5.429 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.101 5.037 3.535 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -0.584 5.562 3.310 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.123 7.768 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.982 8.081 2.600 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.461 9.098 2.372 1.00 0.00 H new ATOM 343 N SER A 24 -1.596 7.255 4.945 1.00 0.00 N ATOM 344 CA SER A 24 -2.775 6.733 5.602 1.00 0.00 C ATOM 345 C SER A 24 -3.218 5.403 4.993 1.00 0.00 C ATOM 346 O SER A 24 -3.119 5.159 3.770 1.00 0.00 O ATOM 347 CB SER A 24 -3.918 7.752 5.537 1.00 0.00 C ATOM 348 OG SER A 24 -5.086 7.257 6.171 1.00 0.00 O ATOM 0 H SER A 24 -1.784 7.888 4.168 1.00 0.00 H new ATOM 0 HA SER A 24 -2.517 6.552 6.646 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.608 8.681 6.016 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.139 7.988 4.496 1.00 0.00 H new ATOM 0 HG SER A 24 -5.798 7.928 6.116 1.00 0.00 H new ATOM 354 N VAL A 25 -3.732 4.554 5.865 1.00 0.00 N ATOM 355 CA VAL A 25 -4.287 3.280 5.472 1.00 0.00 C ATOM 356 C VAL A 25 -5.466 3.502 4.529 1.00 0.00 C ATOM 357 O VAL A 25 -5.706 2.716 3.614 1.00 0.00 O ATOM 358 CB VAL A 25 -4.751 2.482 6.711 1.00 0.00 C ATOM 359 CG1 VAL A 25 -5.141 1.067 6.332 1.00 0.00 C ATOM 360 CG2 VAL A 25 -3.666 2.466 7.779 1.00 0.00 C ATOM 0 H VAL A 25 -3.774 4.733 6.868 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.514 2.706 4.960 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.631 2.980 7.119 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.464 0.528 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.957 1.096 5.610 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.283 0.559 5.891 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.014 1.899 8.642 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.767 2.000 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.440 3.488 8.083 1.00 0.00 H new ATOM 370 N ALA A 26 -6.174 4.605 4.743 1.00 0.00 N ATOM 371 CA ALA A 26 -7.335 4.943 3.937 1.00 0.00 C ATOM 372 C ALA A 26 -6.959 5.191 2.480 1.00 0.00 C ATOM 373 O ALA A 26 -7.602 4.659 1.577 1.00 0.00 O ATOM 374 CB ALA A 26 -8.042 6.160 4.511 1.00 0.00 C ATOM 0 H ALA A 26 -5.960 5.283 5.474 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.013 4.090 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.909 6.401 3.896 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -8.367 5.945 5.529 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.357 7.008 4.520 1.00 0.00 H new ATOM 380 N ASN A 27 -5.908 5.976 2.243 1.00 0.00 N ATOM 381 CA ASN A 27 -5.526 6.305 0.872 1.00 0.00 C ATOM 382 C ASN A 27 -5.025 5.082 0.126 1.00 0.00 C ATOM 383 O ASN A 27 -5.449 4.846 -1.006 1.00 0.00 O ATOM 384 CB ASN A 27 -4.494 7.446 0.781 1.00 0.00 C ATOM 385 CG ASN A 27 -3.242 7.211 1.583 1.00 0.00 C ATOM 386 OD1 ASN A 27 -3.105 7.718 2.687 1.00 0.00 O ATOM 387 ND2 ASN A 27 -2.317 6.445 1.031 1.00 0.00 N ATOM 0 H ASN A 27 -5.318 6.388 2.966 1.00 0.00 H new ATOM 0 HA ASN A 27 -6.437 6.664 0.393 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -4.221 7.591 -0.264 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -4.961 8.371 1.120 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -1.447 6.257 1.529 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -2.473 6.042 0.107 1.00 0.00 H new ATOM 394 N LEU A 28 -4.147 4.279 0.731 1.00 0.00 N ATOM 395 CA LEU A 28 -3.620 3.138 -0.011 1.00 0.00 C ATOM 396 C LEU A 28 -4.672 2.054 -0.225 1.00 0.00 C ATOM 397 O LEU A 28 -4.644 1.358 -1.236 1.00 0.00 O ATOM 398 CB LEU A 28 -2.300 2.581 0.544 1.00 0.00 C ATOM 399 CG LEU A 28 -2.170 2.396 2.052 1.00 0.00 C ATOM 400 CD1 LEU A 28 -2.898 1.145 2.523 1.00 0.00 C ATOM 401 CD2 LEU A 28 -0.695 2.326 2.411 1.00 0.00 C ATOM 0 H LEU A 28 -3.801 4.389 1.684 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.362 3.531 -0.994 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.124 1.613 0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.497 3.244 0.220 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.633 3.245 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.785 1.043 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.956 1.225 2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.474 0.270 2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.588 2.194 3.488 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.234 1.484 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.203 3.250 2.109 1.00 0.00 H new ATOM 413 N ARG A 29 -5.604 1.910 0.703 1.00 0.00 N ATOM 414 CA ARG A 29 -6.728 1.000 0.500 1.00 0.00 C ATOM 415 C ARG A 29 -7.611 1.464 -0.659 1.00 0.00 C ATOM 416 O ARG A 29 -8.117 0.646 -1.430 1.00 0.00 O ATOM 417 CB ARG A 29 -7.568 0.888 1.771 1.00 0.00 C ATOM 418 CG ARG A 29 -6.998 -0.068 2.805 1.00 0.00 C ATOM 419 CD ARG A 29 -7.650 0.134 4.163 1.00 0.00 C ATOM 420 NE ARG A 29 -9.102 -0.011 4.118 1.00 0.00 N ATOM 421 CZ ARG A 29 -9.952 0.993 4.335 1.00 0.00 C ATOM 422 NH1 ARG A 29 -9.495 2.228 4.517 1.00 0.00 N ATOM 423 NH2 ARG A 29 -11.257 0.766 4.351 1.00 0.00 N ATOM 0 H ARG A 29 -5.609 2.404 1.596 1.00 0.00 H new ATOM 0 HA ARG A 29 -6.317 0.020 0.255 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.664 1.877 2.219 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.572 0.561 1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.150 -1.096 2.476 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.922 0.084 2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.239 -0.587 4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.400 1.126 4.538 1.00 0.00 H new ATOM 0 HE ARG A 29 -9.488 -0.932 3.909 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.492 2.410 4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.148 2.994 4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -11.612 -0.178 4.197 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -11.906 1.535 4.517 1.00 0.00 H new ATOM 437 N SER A 30 -7.766 2.777 -0.795 1.00 0.00 N ATOM 438 CA SER A 30 -8.717 3.334 -1.748 1.00 0.00 C ATOM 439 C SER A 30 -8.240 3.194 -3.195 1.00 0.00 C ATOM 440 O SER A 30 -8.998 2.734 -4.050 1.00 0.00 O ATOM 441 CB SER A 30 -8.975 4.809 -1.422 1.00 0.00 C ATOM 442 OG SER A 30 -9.989 5.350 -2.250 1.00 0.00 O ATOM 0 H SER A 30 -7.247 3.472 -0.259 1.00 0.00 H new ATOM 0 HA SER A 30 -9.643 2.766 -1.656 1.00 0.00 H new ATOM 0 HB2 SER A 30 -9.266 4.907 -0.376 1.00 0.00 H new ATOM 0 HB3 SER A 30 -8.055 5.379 -1.551 1.00 0.00 H new ATOM 0 HG SER A 30 -10.133 6.291 -2.018 1.00 0.00 H new ATOM 448 N TRP A 31 -6.980 3.531 -3.472 1.00 0.00 N ATOM 449 CA TRP A 31 -6.496 3.496 -4.854 1.00 0.00 C ATOM 450 C TRP A 31 -6.056 2.093 -5.263 1.00 0.00 C ATOM 451 O TRP A 31 -5.717 1.853 -6.420 1.00 0.00 O ATOM 452 CB TRP A 31 -5.373 4.518 -5.107 1.00 0.00 C ATOM 453 CG TRP A 31 -4.255 4.495 -4.115 1.00 0.00 C ATOM 454 CD1 TRP A 31 -3.663 3.397 -3.577 1.00 0.00 C ATOM 455 CD2 TRP A 31 -3.569 5.629 -3.566 1.00 0.00 C ATOM 456 NE1 TRP A 31 -2.666 3.773 -2.720 1.00 0.00 N ATOM 457 CE2 TRP A 31 -2.585 5.133 -2.697 1.00 0.00 C ATOM 458 CE3 TRP A 31 -3.692 7.011 -3.718 1.00 0.00 C ATOM 459 CZ2 TRP A 31 -1.730 5.964 -1.985 1.00 0.00 C ATOM 460 CZ3 TRP A 31 -2.839 7.836 -3.010 1.00 0.00 C ATOM 461 CH2 TRP A 31 -1.869 7.308 -2.156 1.00 0.00 C ATOM 0 H TRP A 31 -6.291 3.824 -2.779 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.340 3.780 -5.482 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -4.960 4.341 -6.100 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.808 5.517 -5.116 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -3.940 2.376 -3.794 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.077 3.137 -2.183 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.440 7.428 -4.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.982 5.559 -1.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.924 8.907 -3.119 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.215 7.980 -1.620 1.00 0.00 H new ATOM 472 N ASN A 32 -6.063 1.166 -4.315 1.00 0.00 N ATOM 473 CA ASN A 32 -5.810 -0.234 -4.634 1.00 0.00 C ATOM 474 C ASN A 32 -7.123 -0.990 -4.757 1.00 0.00 C ATOM 475 O ASN A 32 -7.170 -2.090 -5.308 1.00 0.00 O ATOM 476 CB ASN A 32 -4.916 -0.904 -3.586 1.00 0.00 C ATOM 477 CG ASN A 32 -3.448 -0.603 -3.795 1.00 0.00 C ATOM 478 OD1 ASN A 32 -2.785 -1.247 -4.603 1.00 0.00 O ATOM 479 ND2 ASN A 32 -2.919 0.350 -3.044 1.00 0.00 N ATOM 0 H ASN A 32 -6.239 1.354 -3.328 1.00 0.00 H new ATOM 0 HA ASN A 32 -5.284 -0.264 -5.588 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.214 -0.569 -2.592 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.070 -1.983 -3.618 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -1.927 0.572 -3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -3.504 0.863 -2.384 1.00 0.00 H new ATOM 486 N GLY A 33 -8.193 -0.382 -4.257 1.00 0.00 N ATOM 487 CA GLY A 33 -9.496 -1.012 -4.298 1.00 0.00 C ATOM 488 C GLY A 33 -9.571 -2.219 -3.389 1.00 0.00 C ATOM 489 O GLY A 33 -10.178 -3.234 -3.739 1.00 0.00 O ATOM 0 H GLY A 33 -8.179 0.541 -3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.257 -0.289 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.721 -1.314 -5.321 1.00 0.00 H new ATOM 493 N ILE A 34 -8.954 -2.110 -2.223 1.00 0.00 N ATOM 494 CA ILE A 34 -8.907 -3.217 -1.287 1.00 0.00 C ATOM 495 C ILE A 34 -10.044 -3.127 -0.288 1.00 0.00 C ATOM 496 O ILE A 34 -10.253 -2.090 0.346 1.00 0.00 O ATOM 497 CB ILE A 34 -7.576 -3.265 -0.509 1.00 0.00 C ATOM 498 CG1 ILE A 34 -6.398 -3.458 -1.465 1.00 0.00 C ATOM 499 CG2 ILE A 34 -7.614 -4.380 0.532 1.00 0.00 C ATOM 500 CD1 ILE A 34 -5.056 -3.507 -0.764 1.00 0.00 C ATOM 0 H ILE A 34 -8.479 -1.265 -1.904 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.000 -4.126 -1.882 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.441 -2.314 0.006 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -6.541 -4.382 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -6.391 -2.644 -2.190 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.669 -4.404 1.074 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.430 -4.197 1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.771 -5.337 0.034 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.265 -3.646 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.892 -2.573 -0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.044 -4.338 -0.059 1.00 0.00 H new ATOM 512 N SER A 35 -10.785 -4.209 -0.165 1.00 0.00 N ATOM 513 CA SER A 35 -11.798 -4.311 0.857 1.00 0.00 C ATOM 514 C SER A 35 -11.323 -5.271 1.939 1.00 0.00 C ATOM 515 O SER A 35 -11.244 -6.479 1.722 1.00 0.00 O ATOM 516 CB SER A 35 -13.108 -4.798 0.244 1.00 0.00 C ATOM 517 OG SER A 35 -14.143 -4.870 1.209 1.00 0.00 O ATOM 0 H SER A 35 -10.702 -5.031 -0.764 1.00 0.00 H new ATOM 0 HA SER A 35 -11.972 -3.331 1.302 1.00 0.00 H new ATOM 0 HB2 SER A 35 -13.406 -4.125 -0.560 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.958 -5.781 -0.203 1.00 0.00 H new ATOM 0 HG SER A 35 -14.967 -5.184 0.782 1.00 0.00 H new ATOM 523 N GLY A 36 -10.995 -4.726 3.096 1.00 0.00 N ATOM 524 CA GLY A 36 -10.522 -5.543 4.188 1.00 0.00 C ATOM 525 C GLY A 36 -9.060 -5.303 4.493 1.00 0.00 C ATOM 526 O GLY A 36 -8.543 -4.207 4.264 1.00 0.00 O ATOM 0 H GLY A 36 -11.048 -3.728 3.299 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.116 -5.335 5.078 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.672 -6.595 3.944 1.00 0.00 H new ATOM 530 N ASP A 37 -8.396 -6.323 5.012 1.00 0.00 N ATOM 531 CA ASP A 37 -6.987 -6.222 5.375 1.00 0.00 C ATOM 532 C ASP A 37 -6.153 -7.190 4.531 1.00 0.00 C ATOM 533 O ASP A 37 -5.038 -7.556 4.893 1.00 0.00 O ATOM 534 CB ASP A 37 -6.822 -6.514 6.875 1.00 0.00 C ATOM 535 CG ASP A 37 -5.422 -6.232 7.395 1.00 0.00 C ATOM 536 OD1 ASP A 37 -5.052 -5.044 7.510 1.00 0.00 O ATOM 537 OD2 ASP A 37 -4.695 -7.199 7.708 1.00 0.00 O ATOM 0 H ASP A 37 -8.811 -7.237 5.193 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.631 -5.211 5.176 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.538 -5.912 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.068 -7.559 7.063 1.00 0.00 H new ATOM 542 N LEU A 38 -6.695 -7.588 3.383 1.00 0.00 N ATOM 543 CA LEU A 38 -6.026 -8.564 2.529 1.00 0.00 C ATOM 544 C LEU A 38 -4.824 -7.956 1.803 1.00 0.00 C ATOM 545 O LEU A 38 -4.961 -7.210 0.836 1.00 0.00 O ATOM 546 CB LEU A 38 -7.019 -9.211 1.546 1.00 0.00 C ATOM 547 CG LEU A 38 -7.913 -8.260 0.738 1.00 0.00 C ATOM 548 CD1 LEU A 38 -7.367 -8.052 -0.668 1.00 0.00 C ATOM 549 CD2 LEU A 38 -9.330 -8.804 0.675 1.00 0.00 C ATOM 0 H LEU A 38 -7.589 -7.252 3.025 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.638 -9.353 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.452 -9.823 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.663 -9.886 2.109 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.922 -7.294 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.021 -7.374 -1.216 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.367 -7.623 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.322 -9.010 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.956 -8.122 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.323 -9.783 0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.729 -8.898 1.685 1.00 0.00 H new ATOM 561 N ILE A 39 -3.644 -8.253 2.319 1.00 0.00 N ATOM 562 CA ILE A 39 -2.395 -7.829 1.708 1.00 0.00 C ATOM 563 C ILE A 39 -1.374 -8.966 1.795 1.00 0.00 C ATOM 564 O ILE A 39 -1.095 -9.484 2.878 1.00 0.00 O ATOM 565 CB ILE A 39 -1.870 -6.517 2.361 1.00 0.00 C ATOM 566 CG1 ILE A 39 -2.401 -5.304 1.587 1.00 0.00 C ATOM 567 CG2 ILE A 39 -0.350 -6.469 2.455 1.00 0.00 C ATOM 568 CD1 ILE A 39 -1.785 -3.988 2.011 1.00 0.00 C ATOM 0 H ILE A 39 -3.524 -8.796 3.174 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.565 -7.604 0.655 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.243 -6.493 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.216 -5.455 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.482 -5.247 1.717 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.044 -5.531 2.918 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.004 -7.305 3.059 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.079 -6.537 1.455 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.211 -3.179 1.418 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -1.992 -3.813 3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.707 -4.024 1.854 1.00 0.00 H new ATOM 580 N PHE A 40 -0.853 -9.379 0.646 1.00 0.00 N ATOM 581 CA PHE A 40 0.027 -10.540 0.582 1.00 0.00 C ATOM 582 C PHE A 40 1.336 -10.207 -0.127 1.00 0.00 C ATOM 583 O PHE A 40 1.373 -9.339 -1.000 1.00 0.00 O ATOM 584 CB PHE A 40 -0.683 -11.709 -0.115 1.00 0.00 C ATOM 585 CG PHE A 40 -1.257 -11.373 -1.467 1.00 0.00 C ATOM 586 CD1 PHE A 40 -0.486 -11.485 -2.614 1.00 0.00 C ATOM 587 CD2 PHE A 40 -2.572 -10.952 -1.590 1.00 0.00 C ATOM 588 CE1 PHE A 40 -1.014 -11.186 -3.855 1.00 0.00 C ATOM 589 CE2 PHE A 40 -3.107 -10.652 -2.828 1.00 0.00 C ATOM 590 CZ PHE A 40 -2.327 -10.769 -3.962 1.00 0.00 C ATOM 0 H PHE A 40 -1.024 -8.928 -0.253 1.00 0.00 H new ATOM 0 HA PHE A 40 0.270 -10.835 1.603 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.023 -12.531 -0.228 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -1.487 -12.066 0.529 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.541 -11.810 -2.536 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -3.186 -10.857 -0.707 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.402 -11.278 -4.740 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.134 -10.326 -2.909 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.743 -10.535 -4.931 1.00 0.00 H new ATOM 600 N VAL A 41 2.396 -10.921 0.251 1.00 0.00 N ATOM 601 CA VAL A 41 3.745 -10.671 -0.259 1.00 0.00 C ATOM 602 C VAL A 41 3.809 -10.828 -1.777 1.00 0.00 C ATOM 603 O VAL A 41 3.182 -11.726 -2.344 1.00 0.00 O ATOM 604 CB VAL A 41 4.772 -11.629 0.395 1.00 0.00 C ATOM 605 CG1 VAL A 41 6.186 -11.344 -0.097 1.00 0.00 C ATOM 606 CG2 VAL A 41 4.710 -11.528 1.910 1.00 0.00 C ATOM 0 H VAL A 41 2.344 -11.689 0.920 1.00 0.00 H new ATOM 0 HA VAL A 41 3.995 -9.642 -0.001 1.00 0.00 H new ATOM 0 HB VAL A 41 4.511 -12.646 0.101 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.883 -12.033 0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.229 -11.476 -1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 41 6.459 -10.319 0.154 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.439 -12.209 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.936 -10.507 2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.710 -11.796 2.252 1.00 0.00 H new ATOM 616 N GLY A 42 4.550 -9.936 -2.428 1.00 0.00 N ATOM 617 CA GLY A 42 4.719 -10.016 -3.867 1.00 0.00 C ATOM 618 C GLY A 42 3.781 -9.090 -4.611 1.00 0.00 C ATOM 619 O GLY A 42 4.035 -8.724 -5.758 1.00 0.00 O ATOM 0 H GLY A 42 5.037 -9.158 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.749 -9.768 -4.123 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.547 -11.042 -4.194 1.00 0.00 H new ATOM 623 N GLN A 43 2.699 -8.710 -3.950 1.00 0.00 N ATOM 624 CA GLN A 43 1.721 -7.808 -4.534 1.00 0.00 C ATOM 625 C GLN A 43 2.266 -6.389 -4.595 1.00 0.00 C ATOM 626 O GLN A 43 2.736 -5.856 -3.593 1.00 0.00 O ATOM 627 CB GLN A 43 0.429 -7.833 -3.709 1.00 0.00 C ATOM 628 CG GLN A 43 -0.543 -6.706 -4.034 1.00 0.00 C ATOM 629 CD GLN A 43 -1.775 -6.732 -3.153 1.00 0.00 C ATOM 630 OE1 GLN A 43 -2.778 -7.362 -3.481 1.00 0.00 O ATOM 631 NE2 GLN A 43 -1.706 -6.045 -2.023 1.00 0.00 N ATOM 0 H GLN A 43 2.476 -9.015 -3.003 1.00 0.00 H new ATOM 0 HA GLN A 43 1.508 -8.142 -5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.073 -8.787 -3.869 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.686 -7.782 -2.651 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.036 -5.748 -3.917 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.845 -6.781 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -0.855 -5.535 -1.787 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.504 -6.026 -1.388 1.00 0.00 H new ATOM 640 N LYS A 44 2.217 -5.784 -5.771 1.00 0.00 N ATOM 641 CA LYS A 44 2.537 -4.375 -5.897 1.00 0.00 C ATOM 642 C LYS A 44 1.299 -3.555 -5.612 1.00 0.00 C ATOM 643 O LYS A 44 0.374 -3.511 -6.423 1.00 0.00 O ATOM 644 CB LYS A 44 3.063 -4.037 -7.292 1.00 0.00 C ATOM 645 CG LYS A 44 4.453 -4.573 -7.568 1.00 0.00 C ATOM 646 CD LYS A 44 4.911 -4.229 -8.972 1.00 0.00 C ATOM 647 CE LYS A 44 6.213 -4.926 -9.320 1.00 0.00 C ATOM 648 NZ LYS A 44 6.690 -4.560 -10.679 1.00 0.00 N ATOM 0 H LYS A 44 1.961 -6.244 -6.645 1.00 0.00 H new ATOM 0 HA LYS A 44 3.322 -4.140 -5.178 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.375 -4.438 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.070 -2.954 -7.415 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.154 -4.159 -6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.460 -5.655 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.141 -4.517 -9.688 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.040 -3.150 -9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.974 -4.663 -8.585 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.074 -6.006 -9.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.582 -5.056 -10.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.975 -4.834 -11.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.847 -3.533 -10.727 1.00 0.00 H new ATOM 662 N LEU A 45 1.275 -2.925 -4.459 1.00 0.00 N ATOM 663 CA LEU A 45 0.150 -2.098 -4.092 1.00 0.00 C ATOM 664 C LEU A 45 0.503 -0.637 -4.310 1.00 0.00 C ATOM 665 O LEU A 45 1.635 -0.222 -4.064 1.00 0.00 O ATOM 666 CB LEU A 45 -0.285 -2.385 -2.641 1.00 0.00 C ATOM 667 CG LEU A 45 0.729 -2.081 -1.535 1.00 0.00 C ATOM 668 CD1 LEU A 45 0.728 -0.603 -1.161 1.00 0.00 C ATOM 669 CD2 LEU A 45 0.414 -2.925 -0.323 1.00 0.00 C ATOM 0 H LEU A 45 2.019 -2.970 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.703 -2.335 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.188 -1.810 -2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.556 -3.439 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 45 1.725 -2.323 -1.907 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.460 -0.427 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.985 -0.006 -2.036 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.262 -0.318 -0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.134 -2.711 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.591 -2.694 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.471 -3.980 -0.590 1.00 0.00 H new ATOM 681 N ILE A 46 -0.451 0.131 -4.810 1.00 0.00 N ATOM 682 CA ILE A 46 -0.223 1.539 -5.086 1.00 0.00 C ATOM 683 C ILE A 46 0.072 2.301 -3.802 1.00 0.00 C ATOM 684 O ILE A 46 -0.582 2.105 -2.772 1.00 0.00 O ATOM 685 CB ILE A 46 -1.427 2.202 -5.795 1.00 0.00 C ATOM 686 CG1 ILE A 46 -1.766 1.469 -7.096 1.00 0.00 C ATOM 687 CG2 ILE A 46 -1.146 3.676 -6.077 1.00 0.00 C ATOM 688 CD1 ILE A 46 -0.627 1.432 -8.094 1.00 0.00 C ATOM 0 H ILE A 46 -1.391 -0.197 -5.033 1.00 0.00 H new ATOM 0 HA ILE A 46 0.638 1.585 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.286 2.135 -5.127 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -2.062 0.447 -6.859 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.627 1.951 -7.559 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.007 4.121 -6.576 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.961 4.197 -5.138 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.269 3.763 -6.719 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -0.944 0.896 -8.989 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.345 2.450 -8.362 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.229 0.923 -7.651 1.00 0.00 H new ATOM 700 N VAL A 47 1.078 3.142 -3.875 1.00 0.00 N ATOM 701 CA VAL A 47 1.396 4.076 -2.825 1.00 0.00 C ATOM 702 C VAL A 47 2.022 5.318 -3.459 1.00 0.00 C ATOM 703 O VAL A 47 2.996 5.241 -4.206 1.00 0.00 O ATOM 704 CB VAL A 47 2.333 3.465 -1.752 1.00 0.00 C ATOM 705 CG1 VAL A 47 3.625 2.943 -2.364 1.00 0.00 C ATOM 706 CG2 VAL A 47 2.621 4.481 -0.658 1.00 0.00 C ATOM 0 H VAL A 47 1.706 3.196 -4.677 1.00 0.00 H new ATOM 0 HA VAL A 47 0.477 4.342 -2.302 1.00 0.00 H new ATOM 0 HB VAL A 47 1.819 2.613 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.255 2.523 -1.580 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.394 2.170 -3.097 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.153 3.762 -2.853 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.280 4.036 0.087 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.103 5.357 -1.092 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.686 4.780 -0.184 1.00 0.00 H new ATOM 716 N LYS A 48 1.402 6.450 -3.247 1.00 0.00 N ATOM 717 CA LYS A 48 1.925 7.696 -3.780 1.00 0.00 C ATOM 718 C LYS A 48 1.612 8.871 -2.867 1.00 0.00 C ATOM 719 O LYS A 48 0.486 9.034 -2.407 1.00 0.00 O ATOM 720 CB LYS A 48 1.373 7.949 -5.185 1.00 0.00 C ATOM 721 CG LYS A 48 -0.145 7.888 -5.265 1.00 0.00 C ATOM 722 CD LYS A 48 -0.659 8.357 -6.614 1.00 0.00 C ATOM 723 CE LYS A 48 -2.175 8.316 -6.672 1.00 0.00 C ATOM 724 NZ LYS A 48 -2.703 8.916 -7.923 1.00 0.00 N ATOM 0 H LYS A 48 0.538 6.542 -2.713 1.00 0.00 H new ATOM 0 HA LYS A 48 3.009 7.602 -3.838 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.707 8.929 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.794 7.213 -5.869 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.477 6.866 -5.085 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.575 8.506 -4.477 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.313 9.373 -6.804 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.246 7.727 -7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.512 7.282 -6.596 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.585 8.849 -5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.742 8.867 -7.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.404 9.910 -7.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -2.334 8.392 -8.742 1.00 0.00 H new ATOM 738 N LYS A 49 2.624 9.674 -2.598 1.00 0.00 N ATOM 739 CA LYS A 49 2.456 10.870 -1.796 1.00 0.00 C ATOM 740 C LYS A 49 3.004 12.067 -2.566 1.00 0.00 C ATOM 741 O LYS A 49 4.208 12.155 -2.814 1.00 0.00 O ATOM 742 CB LYS A 49 3.166 10.701 -0.445 1.00 0.00 C ATOM 743 CG LYS A 49 2.738 11.700 0.621 1.00 0.00 C ATOM 744 CD LYS A 49 3.454 13.036 0.485 1.00 0.00 C ATOM 745 CE LYS A 49 4.936 12.904 0.784 1.00 0.00 C ATOM 746 NZ LYS A 49 5.637 14.211 0.725 1.00 0.00 N ATOM 0 H LYS A 49 3.577 9.518 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 49 1.398 11.039 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 49 2.981 9.692 -0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.241 10.792 -0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.662 11.859 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.938 11.282 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.318 13.422 -0.525 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.007 13.761 1.166 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.068 12.467 1.774 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.390 12.217 0.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.646 14.074 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.534 14.617 -0.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.223 14.859 1.425 1.00 0.00 H new ATOM 760 N GLY A 50 2.120 12.970 -2.962 1.00 0.00 N ATOM 761 CA GLY A 50 2.529 14.097 -3.775 1.00 0.00 C ATOM 762 C GLY A 50 2.512 15.402 -3.011 1.00 0.00 C ATOM 763 O GLY A 50 3.028 16.415 -3.487 1.00 0.00 O ATOM 0 H GLY A 50 1.126 12.943 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.533 13.918 -4.159 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.868 14.177 -4.638 1.00 0.00 H new ATOM 767 N SER A 51 1.919 15.384 -1.829 1.00 0.00 N ATOM 768 CA SER A 51 1.830 16.577 -1.009 1.00 0.00 C ATOM 769 C SER A 51 3.047 16.685 -0.093 1.00 0.00 C ATOM 770 O SER A 51 4.051 17.300 -0.509 1.00 0.00 O ATOM 771 CB SER A 51 0.541 16.541 -0.190 1.00 0.00 C ATOM 772 OG SER A 51 -0.578 16.273 -1.025 1.00 0.00 O ATOM 0 H SER A 51 1.492 14.554 -1.417 1.00 0.00 H new ATOM 0 HA SER A 51 1.814 17.455 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.616 15.775 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.401 17.495 0.319 1.00 0.00 H new ATOM 0 HG SER A 51 -1.394 16.252 -0.482 1.00 0.00 H new TER 778 SER A 51