USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 395 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 40 CYS SG : rot 87:sc= -1.6 USER MOD Set 1.2: A 50 MET CE :methyl -107:sc= -1.02 (180deg=-1.03) USER MOD Single : A 1 GLY N :NH3+ -125:sc= 0.119 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 22:sc= 0.852 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0288 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.03) USER MOD Single : A 23 THR OG1 : rot -96:sc= 0.431 USER MOD Single : A 24 THR OG1 : rot 95:sc= 0.524 USER MOD Single : A 26 THR OG1 : rot -87:sc= 0.631! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00516 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.0799 X(o=-0.08,f=0) USER MOD Single : A 36 MET CE :methyl 165:sc= -1.62 (180deg=-2.55!) USER MOD Single : A 41 ASN : amide:sc= -0.0077 X(o=-0.0077,f=-0.18) USER MOD Single : A 42 ASN : amide:sc= -0.0599 K(o=-0.06,f=-0.83) USER MOD Single : A 43 ASN : amide:sc= -4.95! C(o=-4.9!,f=-18!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 92:sc= 0.861 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 12:sc= 0.224 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.059 -3.243 26.828 1.00 0.00 N ATOM 2 CA GLY A 1 -6.310 -3.243 25.582 1.00 0.00 C ATOM 3 C GLY A 1 -7.209 -3.617 24.402 1.00 0.00 C ATOM 4 O GLY A 1 -8.397 -3.885 24.582 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.953 -2.321 27.297 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.065 -3.416 26.628 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.696 -3.992 27.451 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.876 -2.257 25.415 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.482 -3.949 25.651 1.00 0.00 H new ATOM 8 N SER A 2 -6.609 -3.625 23.221 1.00 0.00 N ATOM 9 CA SER A 2 -7.341 -3.962 22.012 1.00 0.00 C ATOM 10 C SER A 2 -8.668 -3.202 21.974 1.00 0.00 C ATOM 11 O SER A 2 -9.681 -3.690 22.473 1.00 0.00 O ATOM 12 CB SER A 2 -7.589 -5.469 21.921 1.00 0.00 C ATOM 13 OG SER A 2 -6.768 -6.087 20.935 1.00 0.00 O ATOM 0 H SER A 2 -5.624 -3.403 23.075 1.00 0.00 H new ATOM 0 HA SER A 2 -6.737 -3.668 21.153 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.397 -5.927 22.891 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.638 -5.650 21.685 1.00 0.00 H new ATOM 0 HG SER A 2 -6.955 -7.049 20.909 1.00 0.00 H new ATOM 19 N SER A 3 -8.620 -2.020 21.377 1.00 0.00 N ATOM 20 CA SER A 3 -9.806 -1.188 21.268 1.00 0.00 C ATOM 21 C SER A 3 -9.624 -0.163 20.147 1.00 0.00 C ATOM 22 O SER A 3 -8.731 0.681 20.213 1.00 0.00 O ATOM 23 CB SER A 3 -10.107 -0.481 22.591 1.00 0.00 C ATOM 24 OG SER A 3 -9.178 0.566 22.860 1.00 0.00 O ATOM 0 H SER A 3 -7.778 -1.619 20.964 1.00 0.00 H new ATOM 0 HA SER A 3 -10.654 -1.830 21.030 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.117 -0.071 22.562 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.081 -1.207 23.404 1.00 0.00 H new ATOM 0 HG SER A 3 -8.759 0.854 22.023 1.00 0.00 H new ATOM 30 N GLY A 4 -10.484 -0.269 19.145 1.00 0.00 N ATOM 31 CA GLY A 4 -10.429 0.639 18.012 1.00 0.00 C ATOM 32 C GLY A 4 -10.794 2.064 18.433 1.00 0.00 C ATOM 33 O GLY A 4 -11.475 2.263 19.439 1.00 0.00 O ATOM 0 H GLY A 4 -11.223 -0.970 19.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.428 0.628 17.581 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.114 0.299 17.235 1.00 0.00 H new ATOM 37 N SER A 5 -10.326 3.018 17.643 1.00 0.00 N ATOM 38 CA SER A 5 -10.595 4.419 17.921 1.00 0.00 C ATOM 39 C SER A 5 -10.893 5.163 16.618 1.00 0.00 C ATOM 40 O SER A 5 -11.957 5.763 16.471 1.00 0.00 O ATOM 41 CB SER A 5 -9.417 5.072 18.647 1.00 0.00 C ATOM 42 OG SER A 5 -8.180 4.831 17.983 1.00 0.00 O ATOM 0 H SER A 5 -9.762 2.849 16.810 1.00 0.00 H new ATOM 0 HA SER A 5 -11.467 4.477 18.573 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.586 6.146 18.719 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.362 4.689 19.666 1.00 0.00 H new ATOM 0 HG SER A 5 -7.454 5.266 18.477 1.00 0.00 H new ATOM 48 N SER A 6 -9.935 5.101 15.705 1.00 0.00 N ATOM 49 CA SER A 6 -10.082 5.761 14.419 1.00 0.00 C ATOM 50 C SER A 6 -10.220 7.272 14.620 1.00 0.00 C ATOM 51 O SER A 6 -11.007 7.722 15.452 1.00 0.00 O ATOM 52 CB SER A 6 -11.288 5.215 13.654 1.00 0.00 C ATOM 53 OG SER A 6 -10.912 4.223 12.703 1.00 0.00 O ATOM 0 H SER A 6 -9.053 4.603 15.830 1.00 0.00 H new ATOM 0 HA SER A 6 -9.189 5.559 13.827 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.002 4.789 14.359 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.794 6.034 13.143 1.00 0.00 H new ATOM 0 HG SER A 6 -11.710 3.898 12.236 1.00 0.00 H new ATOM 59 N GLY A 7 -9.444 8.013 13.844 1.00 0.00 N ATOM 60 CA GLY A 7 -9.470 9.464 13.926 1.00 0.00 C ATOM 61 C GLY A 7 -10.369 10.058 12.840 1.00 0.00 C ATOM 62 O GLY A 7 -11.585 10.133 13.008 1.00 0.00 O ATOM 0 H GLY A 7 -8.793 7.636 13.155 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.830 9.770 14.908 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.458 9.856 13.820 1.00 0.00 H new ATOM 66 N GLY A 8 -9.736 10.466 11.750 1.00 0.00 N ATOM 67 CA GLY A 8 -10.463 11.051 10.637 1.00 0.00 C ATOM 68 C GLY A 8 -11.151 9.969 9.802 1.00 0.00 C ATOM 69 O GLY A 8 -10.606 8.882 9.617 1.00 0.00 O ATOM 0 H GLY A 8 -8.727 10.403 11.614 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -11.207 11.753 11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -9.777 11.619 10.009 1.00 0.00 H new ATOM 73 N SER A 9 -12.339 10.305 9.319 1.00 0.00 N ATOM 74 CA SER A 9 -13.107 9.376 8.508 1.00 0.00 C ATOM 75 C SER A 9 -13.268 9.928 7.090 1.00 0.00 C ATOM 76 O SER A 9 -14.234 10.632 6.800 1.00 0.00 O ATOM 77 CB SER A 9 -14.478 9.105 9.131 1.00 0.00 C ATOM 78 OG SER A 9 -14.370 8.586 10.453 1.00 0.00 O ATOM 0 H SER A 9 -12.788 11.208 9.474 1.00 0.00 H new ATOM 0 HA SER A 9 -12.565 8.432 8.464 1.00 0.00 H new ATOM 0 HB2 SER A 9 -15.056 10.029 9.150 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.026 8.398 8.508 1.00 0.00 H new ATOM 0 HG SER A 9 -15.266 8.428 10.817 1.00 0.00 H new ATOM 84 N ALA A 10 -12.306 9.588 6.244 1.00 0.00 N ATOM 85 CA ALA A 10 -12.329 10.041 4.864 1.00 0.00 C ATOM 86 C ALA A 10 -11.441 9.127 4.017 1.00 0.00 C ATOM 87 O ALA A 10 -10.223 9.295 3.987 1.00 0.00 O ATOM 88 CB ALA A 10 -11.890 11.505 4.799 1.00 0.00 C ATOM 0 H ALA A 10 -11.506 9.004 6.488 1.00 0.00 H new ATOM 0 HA ALA A 10 -13.339 9.986 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -11.907 11.844 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -12.570 12.116 5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.879 11.600 5.195 1.00 0.00 H new ATOM 94 N ALA A 11 -12.085 8.181 3.350 1.00 0.00 N ATOM 95 CA ALA A 11 -11.369 7.241 2.505 1.00 0.00 C ATOM 96 C ALA A 11 -10.396 6.430 3.363 1.00 0.00 C ATOM 97 O ALA A 11 -9.256 6.842 3.573 1.00 0.00 O ATOM 98 CB ALA A 11 -10.661 8.001 1.381 1.00 0.00 C ATOM 0 H ALA A 11 -13.096 8.045 3.378 1.00 0.00 H new ATOM 0 HA ALA A 11 -12.061 6.540 2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -10.124 7.296 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -11.398 8.537 0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.956 8.712 1.811 1.00 0.00 H new ATOM 104 N SER A 12 -10.881 5.291 3.835 1.00 0.00 N ATOM 105 CA SER A 12 -10.068 4.419 4.666 1.00 0.00 C ATOM 106 C SER A 12 -10.248 2.964 4.229 1.00 0.00 C ATOM 107 O SER A 12 -9.279 2.292 3.881 1.00 0.00 O ATOM 108 CB SER A 12 -10.425 4.577 6.145 1.00 0.00 C ATOM 109 OG SER A 12 -9.486 5.396 6.836 1.00 0.00 O ATOM 0 H SER A 12 -11.826 4.952 3.658 1.00 0.00 H new ATOM 0 HA SER A 12 -9.023 4.703 4.540 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.420 5.013 6.233 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.464 3.595 6.615 1.00 0.00 H new ATOM 0 HG SER A 12 -9.750 5.474 7.777 1.00 0.00 H new ATOM 115 N SER A 13 -11.497 2.520 4.261 1.00 0.00 N ATOM 116 CA SER A 13 -11.816 1.157 3.873 1.00 0.00 C ATOM 117 C SER A 13 -11.214 0.848 2.501 1.00 0.00 C ATOM 118 O SER A 13 -10.416 -0.078 2.363 1.00 0.00 O ATOM 119 CB SER A 13 -13.329 0.931 3.851 1.00 0.00 C ATOM 120 OG SER A 13 -13.891 0.947 5.160 1.00 0.00 O ATOM 0 H SER A 13 -12.299 3.080 4.550 1.00 0.00 H new ATOM 0 HA SER A 13 -11.385 0.482 4.612 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.802 1.703 3.244 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.546 -0.025 3.375 1.00 0.00 H new ATOM 0 HG SER A 13 -14.858 0.801 5.102 1.00 0.00 H new ATOM 126 N ALA A 14 -11.618 1.642 1.520 1.00 0.00 N ATOM 127 CA ALA A 14 -11.128 1.466 0.164 1.00 0.00 C ATOM 128 C ALA A 14 -9.598 1.444 0.178 1.00 0.00 C ATOM 129 O ALA A 14 -8.983 0.499 -0.313 1.00 0.00 O ATOM 130 CB ALA A 14 -11.687 2.575 -0.730 1.00 0.00 C ATOM 0 H ALA A 14 -12.280 2.409 1.638 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.468 0.515 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.319 2.442 -1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.776 2.529 -0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.365 3.545 -0.351 1.00 0.00 H new ATOM 136 N LEU A 15 -9.028 2.496 0.746 1.00 0.00 N ATOM 137 CA LEU A 15 -7.582 2.610 0.831 1.00 0.00 C ATOM 138 C LEU A 15 -6.995 1.268 1.273 1.00 0.00 C ATOM 139 O LEU A 15 -6.130 0.711 0.598 1.00 0.00 O ATOM 140 CB LEU A 15 -7.188 3.781 1.732 1.00 0.00 C ATOM 141 CG LEU A 15 -5.717 4.199 1.685 1.00 0.00 C ATOM 142 CD1 LEU A 15 -5.090 3.845 0.335 1.00 0.00 C ATOM 143 CD2 LEU A 15 -5.558 5.684 2.019 1.00 0.00 C ATOM 0 H LEU A 15 -9.542 3.278 1.152 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.159 2.837 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.799 4.643 1.462 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.439 3.522 2.761 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.178 3.638 2.448 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.044 4.153 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -5.153 2.769 0.176 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.626 4.361 -0.462 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.503 5.955 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.114 6.281 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -5.944 5.875 3.020 1.00 0.00 H new ATOM 155 N LYS A 16 -7.487 0.788 2.406 1.00 0.00 N ATOM 156 CA LYS A 16 -7.022 -0.478 2.947 1.00 0.00 C ATOM 157 C LYS A 16 -6.974 -1.520 1.827 1.00 0.00 C ATOM 158 O LYS A 16 -5.938 -2.142 1.596 1.00 0.00 O ATOM 159 CB LYS A 16 -7.880 -0.898 4.141 1.00 0.00 C ATOM 160 CG LYS A 16 -7.611 -2.355 4.525 1.00 0.00 C ATOM 161 CD LYS A 16 -8.151 -2.662 5.923 1.00 0.00 C ATOM 162 CE LYS A 16 -9.486 -3.406 5.844 1.00 0.00 C ATOM 163 NZ LYS A 16 -10.613 -2.447 5.841 1.00 0.00 N ATOM 0 H LYS A 16 -8.203 1.253 2.964 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.008 -0.377 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.669 -0.249 4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.935 -0.771 3.898 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.078 -3.019 3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.539 -2.551 4.494 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.427 -3.264 6.472 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.280 -1.733 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.517 -4.016 4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.581 -4.086 6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.512 -2.968 5.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.591 -1.883 6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.529 -1.815 5.019 1.00 0.00 H new ATOM 177 N GLY A 17 -8.109 -1.678 1.161 1.00 0.00 N ATOM 178 CA GLY A 17 -8.210 -2.634 0.071 1.00 0.00 C ATOM 179 C GLY A 17 -6.921 -2.663 -0.753 1.00 0.00 C ATOM 180 O GLY A 17 -6.262 -3.697 -0.845 1.00 0.00 O ATOM 0 H GLY A 17 -8.966 -1.160 1.355 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.413 -3.627 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.051 -2.372 -0.571 1.00 0.00 H new ATOM 184 N LEU A 18 -6.601 -1.515 -1.332 1.00 0.00 N ATOM 185 CA LEU A 18 -5.404 -1.396 -2.146 1.00 0.00 C ATOM 186 C LEU A 18 -4.179 -1.744 -1.298 1.00 0.00 C ATOM 187 O LEU A 18 -3.357 -2.567 -1.696 1.00 0.00 O ATOM 188 CB LEU A 18 -5.331 -0.011 -2.793 1.00 0.00 C ATOM 189 CG LEU A 18 -6.325 0.254 -3.925 1.00 0.00 C ATOM 190 CD1 LEU A 18 -6.560 1.754 -4.109 1.00 0.00 C ATOM 191 CD2 LEU A 18 -5.870 -0.419 -5.222 1.00 0.00 C ATOM 0 H LEU A 18 -7.150 -0.659 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.433 -2.107 -2.972 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.486 0.739 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.323 0.134 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.282 -0.190 -3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.271 1.914 -4.920 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -6.961 2.175 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.617 2.243 -4.351 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.594 -0.215 -6.011 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.896 -0.026 -5.513 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.796 -1.495 -5.067 1.00 0.00 H new ATOM 203 N ILE A 19 -4.096 -1.099 -0.144 1.00 0.00 N ATOM 204 CA ILE A 19 -2.985 -1.330 0.764 1.00 0.00 C ATOM 205 C ILE A 19 -2.737 -2.834 0.887 1.00 0.00 C ATOM 206 O ILE A 19 -1.599 -3.290 0.782 1.00 0.00 O ATOM 207 CB ILE A 19 -3.236 -0.636 2.105 1.00 0.00 C ATOM 208 CG1 ILE A 19 -3.250 0.885 1.942 1.00 0.00 C ATOM 209 CG2 ILE A 19 -2.221 -1.091 3.156 1.00 0.00 C ATOM 210 CD1 ILE A 19 -3.404 1.580 3.296 1.00 0.00 C ATOM 0 H ILE A 19 -4.780 -0.417 0.183 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.071 -0.887 0.368 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.223 -0.930 2.462 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.326 1.212 1.465 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.069 1.176 1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.422 -0.583 4.099 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.304 -2.168 3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.214 -0.846 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.411 2.660 3.152 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.340 1.270 3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.571 1.306 3.943 1.00 0.00 H new ATOM 222 N GLN A 20 -3.820 -3.564 1.109 1.00 0.00 N ATOM 223 CA GLN A 20 -3.734 -5.008 1.247 1.00 0.00 C ATOM 224 C GLN A 20 -3.082 -5.622 0.006 1.00 0.00 C ATOM 225 O GLN A 20 -2.196 -6.467 0.120 1.00 0.00 O ATOM 226 CB GLN A 20 -5.114 -5.618 1.500 1.00 0.00 C ATOM 227 CG GLN A 20 -5.485 -5.538 2.982 1.00 0.00 C ATOM 228 CD GLN A 20 -5.614 -6.936 3.591 1.00 0.00 C ATOM 229 OE1 GLN A 20 -6.569 -7.658 3.357 1.00 0.00 O ATOM 230 NE2 GLN A 20 -4.602 -7.276 4.385 1.00 0.00 N ATOM 0 H GLN A 20 -4.762 -3.183 1.197 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.109 -5.234 2.111 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.862 -5.094 0.905 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.121 -6.658 1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.725 -4.971 3.521 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.426 -4.999 3.097 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.833 -6.624 4.539 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.595 -8.189 4.840 1.00 0.00 H new ATOM 239 N GLN A 21 -3.547 -5.174 -1.151 1.00 0.00 N ATOM 240 CA GLN A 21 -3.021 -5.669 -2.411 1.00 0.00 C ATOM 241 C GLN A 21 -1.524 -5.370 -2.515 1.00 0.00 C ATOM 242 O GLN A 21 -0.765 -6.166 -3.067 1.00 0.00 O ATOM 243 CB GLN A 21 -3.783 -5.071 -3.596 1.00 0.00 C ATOM 244 CG GLN A 21 -5.294 -5.135 -3.364 1.00 0.00 C ATOM 245 CD GLN A 21 -5.968 -6.046 -4.392 1.00 0.00 C ATOM 246 OE1 GLN A 21 -5.564 -7.174 -4.621 1.00 0.00 O ATOM 247 NE2 GLN A 21 -7.016 -5.495 -4.998 1.00 0.00 N ATOM 0 H GLN A 21 -4.283 -4.473 -1.242 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.159 -6.750 -2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.478 -4.035 -3.744 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.528 -5.612 -4.507 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.496 -5.504 -2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.718 -4.133 -3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.302 -4.545 -4.759 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.534 -6.022 -5.701 1.00 0.00 H new ATOM 256 N PHE A 22 -1.144 -4.220 -1.977 1.00 0.00 N ATOM 257 CA PHE A 22 0.249 -3.806 -2.003 1.00 0.00 C ATOM 258 C PHE A 22 1.076 -4.603 -0.991 1.00 0.00 C ATOM 259 O PHE A 22 2.100 -5.187 -1.344 1.00 0.00 O ATOM 260 CB PHE A 22 0.283 -2.326 -1.619 1.00 0.00 C ATOM 261 CG PHE A 22 1.664 -1.680 -1.749 1.00 0.00 C ATOM 262 CD1 PHE A 22 2.075 -1.191 -2.950 1.00 0.00 C ATOM 263 CD2 PHE A 22 2.480 -1.596 -0.665 1.00 0.00 C ATOM 264 CE1 PHE A 22 3.357 -0.592 -3.071 1.00 0.00 C ATOM 265 CE2 PHE A 22 3.762 -0.997 -0.786 1.00 0.00 C ATOM 266 CZ PHE A 22 4.173 -0.508 -1.987 1.00 0.00 C ATOM 0 H PHE A 22 -1.776 -3.562 -1.521 1.00 0.00 H new ATOM 0 HA PHE A 22 0.671 -3.979 -2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.422 -1.782 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.061 -2.220 -0.590 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.427 -1.258 -3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.153 -1.985 0.288 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.684 -0.203 -4.024 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.410 -0.930 0.075 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.148 -0.053 -2.079 1.00 0.00 H new ATOM 276 N THR A 23 0.601 -4.600 0.246 1.00 0.00 N ATOM 277 CA THR A 23 1.284 -5.315 1.311 1.00 0.00 C ATOM 278 C THR A 23 1.363 -6.808 0.986 1.00 0.00 C ATOM 279 O THR A 23 2.183 -7.528 1.554 1.00 0.00 O ATOM 280 CB THR A 23 0.557 -5.016 2.623 1.00 0.00 C ATOM 281 OG1 THR A 23 -0.817 -5.240 2.317 1.00 0.00 O ATOM 282 CG2 THR A 23 0.618 -3.535 3.002 1.00 0.00 C ATOM 0 H THR A 23 -0.248 -4.114 0.534 1.00 0.00 H new ATOM 0 HA THR A 23 2.317 -4.982 1.412 1.00 0.00 H new ATOM 0 HB THR A 23 0.993 -5.613 3.424 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.244 -4.389 2.086 1.00 0.00 H new ATOM 0 HG21 THR A 23 0.087 -3.377 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.658 -3.232 3.118 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.152 -2.939 2.217 1.00 0.00 H new ATOM 290 N THR A 24 0.499 -7.229 0.074 1.00 0.00 N ATOM 291 CA THR A 24 0.460 -8.623 -0.333 1.00 0.00 C ATOM 292 C THR A 24 1.358 -8.848 -1.552 1.00 0.00 C ATOM 293 O THR A 24 2.216 -9.729 -1.540 1.00 0.00 O ATOM 294 CB THR A 24 -1.002 -9.004 -0.577 1.00 0.00 C ATOM 295 OG1 THR A 24 -1.555 -9.112 0.732 1.00 0.00 O ATOM 296 CG2 THR A 24 -1.151 -10.410 -1.162 1.00 0.00 C ATOM 0 H THR A 24 -0.180 -6.629 -0.395 1.00 0.00 H new ATOM 0 HA THR A 24 0.855 -9.274 0.447 1.00 0.00 H new ATOM 0 HB THR A 24 -1.458 -8.280 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.978 -8.263 0.980 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.207 -10.630 -1.316 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.626 -10.465 -2.116 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.725 -11.138 -0.472 1.00 0.00 H new ATOM 304 N ILE A 25 1.128 -8.036 -2.574 1.00 0.00 N ATOM 305 CA ILE A 25 1.906 -8.136 -3.797 1.00 0.00 C ATOM 306 C ILE A 25 3.383 -7.898 -3.479 1.00 0.00 C ATOM 307 O ILE A 25 4.210 -8.794 -3.643 1.00 0.00 O ATOM 308 CB ILE A 25 1.347 -7.193 -4.865 1.00 0.00 C ATOM 309 CG1 ILE A 25 -0.027 -7.664 -5.347 1.00 0.00 C ATOM 310 CG2 ILE A 25 2.335 -7.028 -6.021 1.00 0.00 C ATOM 311 CD1 ILE A 25 -0.934 -6.473 -5.664 1.00 0.00 C ATOM 0 H ILE A 25 0.415 -7.307 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 25 1.828 -9.139 -4.217 1.00 0.00 H new ATOM 0 HB ILE A 25 1.210 -6.209 -4.416 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.088 -8.285 -6.236 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.491 -8.286 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.914 -6.353 -6.766 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.270 -6.614 -5.644 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.526 -7.999 -6.478 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.904 -6.835 -6.004 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.067 -5.868 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.478 -5.867 -6.447 1.00 0.00 H new ATOM 323 N THR A 26 3.670 -6.685 -3.028 1.00 0.00 N ATOM 324 CA THR A 26 5.034 -6.318 -2.685 1.00 0.00 C ATOM 325 C THR A 26 5.500 -7.093 -1.451 1.00 0.00 C ATOM 326 O THR A 26 6.484 -7.829 -1.512 1.00 0.00 O ATOM 327 CB THR A 26 5.083 -4.799 -2.503 1.00 0.00 C ATOM 328 OG1 THR A 26 4.421 -4.577 -1.261 1.00 0.00 O ATOM 329 CG2 THR A 26 4.217 -4.059 -3.525 1.00 0.00 C ATOM 0 H THR A 26 2.982 -5.944 -2.892 1.00 0.00 H new ATOM 0 HA THR A 26 5.728 -6.587 -3.481 1.00 0.00 H new ATOM 0 HB THR A 26 6.114 -4.456 -2.585 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.457 -4.494 -1.415 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.287 -2.985 -3.352 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.567 -4.288 -4.532 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.179 -4.376 -3.420 1.00 0.00 H new ATOM 337 N GLY A 27 4.773 -6.901 -0.361 1.00 0.00 N ATOM 338 CA GLY A 27 5.100 -7.572 0.885 1.00 0.00 C ATOM 339 C GLY A 27 5.454 -6.561 1.977 1.00 0.00 C ATOM 340 O GLY A 27 5.960 -6.934 3.034 1.00 0.00 O ATOM 0 H GLY A 27 3.958 -6.290 -0.315 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.254 -8.180 1.208 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.938 -8.251 0.727 1.00 0.00 H new ATOM 344 N ALA A 28 5.174 -5.299 1.684 1.00 0.00 N ATOM 345 CA ALA A 28 5.456 -4.231 2.627 1.00 0.00 C ATOM 346 C ALA A 28 4.315 -4.138 3.642 1.00 0.00 C ATOM 347 O ALA A 28 3.317 -4.846 3.526 1.00 0.00 O ATOM 348 CB ALA A 28 5.668 -2.921 1.866 1.00 0.00 C ATOM 0 H ALA A 28 4.755 -4.993 0.806 1.00 0.00 H new ATOM 0 HA ALA A 28 6.372 -4.439 3.180 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.880 -2.119 2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.508 -3.031 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.768 -2.678 1.301 1.00 0.00 H new ATOM 354 N SER A 29 4.502 -3.259 4.616 1.00 0.00 N ATOM 355 CA SER A 29 3.501 -3.064 5.651 1.00 0.00 C ATOM 356 C SER A 29 2.419 -2.102 5.157 1.00 0.00 C ATOM 357 O SER A 29 2.582 -1.455 4.124 1.00 0.00 O ATOM 358 CB SER A 29 4.136 -2.534 6.938 1.00 0.00 C ATOM 359 OG SER A 29 5.090 -3.445 7.477 1.00 0.00 O ATOM 0 H SER A 29 5.332 -2.674 4.710 1.00 0.00 H new ATOM 0 HA SER A 29 3.046 -4.029 5.874 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.621 -1.579 6.736 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.356 -2.346 7.676 1.00 0.00 H new ATOM 0 HG SER A 29 5.474 -3.070 8.297 1.00 0.00 H new ATOM 365 N GLU A 30 1.336 -2.039 5.919 1.00 0.00 N ATOM 366 CA GLU A 30 0.227 -1.167 5.572 1.00 0.00 C ATOM 367 C GLU A 30 0.693 0.289 5.520 1.00 0.00 C ATOM 368 O GLU A 30 0.547 0.955 4.495 1.00 0.00 O ATOM 369 CB GLU A 30 -0.932 -1.337 6.556 1.00 0.00 C ATOM 370 CG GLU A 30 -1.813 -2.525 6.166 1.00 0.00 C ATOM 371 CD GLU A 30 -1.602 -3.701 7.122 1.00 0.00 C ATOM 372 OE1 GLU A 30 -0.426 -4.088 7.295 1.00 0.00 O ATOM 373 OE2 GLU A 30 -2.621 -4.187 7.659 1.00 0.00 O ATOM 0 H GLU A 30 1.204 -2.578 6.775 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.135 -1.448 4.583 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.540 -1.485 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.531 -0.427 6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.861 -2.225 6.179 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.582 -2.834 5.147 1.00 0.00 H new ATOM 380 N SER A 31 1.244 0.742 6.636 1.00 0.00 N ATOM 381 CA SER A 31 1.732 2.107 6.730 1.00 0.00 C ATOM 382 C SER A 31 2.491 2.480 5.455 1.00 0.00 C ATOM 383 O SER A 31 2.341 3.588 4.941 1.00 0.00 O ATOM 384 CB SER A 31 2.631 2.287 7.955 1.00 0.00 C ATOM 385 OG SER A 31 2.055 1.720 9.129 1.00 0.00 O ATOM 0 H SER A 31 1.363 0.187 7.484 1.00 0.00 H new ATOM 0 HA SER A 31 0.874 2.770 6.842 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.599 1.823 7.766 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.814 3.349 8.118 1.00 0.00 H new ATOM 0 HG SER A 31 2.660 1.854 9.888 1.00 0.00 H new ATOM 391 N VAL A 32 3.290 1.535 4.982 1.00 0.00 N ATOM 392 CA VAL A 32 4.073 1.751 3.777 1.00 0.00 C ATOM 393 C VAL A 32 3.132 1.851 2.575 1.00 0.00 C ATOM 394 O VAL A 32 3.193 2.815 1.813 1.00 0.00 O ATOM 395 CB VAL A 32 5.119 0.645 3.628 1.00 0.00 C ATOM 396 CG1 VAL A 32 5.803 0.718 2.261 1.00 0.00 C ATOM 397 CG2 VAL A 32 6.147 0.705 4.759 1.00 0.00 C ATOM 0 H VAL A 32 3.412 0.618 5.411 1.00 0.00 H new ATOM 0 HA VAL A 32 4.621 2.691 3.840 1.00 0.00 H new ATOM 0 HB VAL A 32 4.604 -0.313 3.695 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.542 -0.079 2.181 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.057 0.602 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.297 1.683 2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.879 -0.092 4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.654 1.670 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.642 0.581 5.717 1.00 0.00 H new ATOM 407 N GLY A 33 2.285 0.842 2.441 1.00 0.00 N ATOM 408 CA GLY A 33 1.333 0.804 1.344 1.00 0.00 C ATOM 409 C GLY A 33 0.452 2.055 1.339 1.00 0.00 C ATOM 410 O GLY A 33 -0.078 2.441 0.298 1.00 0.00 O ATOM 0 H GLY A 33 2.238 0.044 3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.867 0.727 0.397 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.708 -0.085 1.431 1.00 0.00 H new ATOM 414 N LYS A 34 0.323 2.653 2.514 1.00 0.00 N ATOM 415 CA LYS A 34 -0.485 3.852 2.658 1.00 0.00 C ATOM 416 C LYS A 34 0.304 5.058 2.144 1.00 0.00 C ATOM 417 O LYS A 34 -0.274 5.992 1.591 1.00 0.00 O ATOM 418 CB LYS A 34 -0.967 4.003 4.102 1.00 0.00 C ATOM 419 CG LYS A 34 -2.239 4.851 4.170 1.00 0.00 C ATOM 420 CD LYS A 34 -2.363 5.546 5.528 1.00 0.00 C ATOM 421 CE LYS A 34 -3.791 6.040 5.762 1.00 0.00 C ATOM 422 NZ LYS A 34 -3.838 6.961 6.920 1.00 0.00 N ATOM 0 H LYS A 34 0.764 2.330 3.375 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.387 3.778 2.051 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.158 3.019 4.530 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.185 4.466 4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.226 5.597 3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.111 4.219 4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.079 4.855 6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.671 6.387 5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.157 6.549 4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.452 5.191 5.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -4.815 7.287 7.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.509 6.464 7.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.223 7.780 6.737 1.00 0.00 H new ATOM 436 N HIS A 35 1.612 4.998 2.344 1.00 0.00 N ATOM 437 CA HIS A 35 2.486 6.073 1.907 1.00 0.00 C ATOM 438 C HIS A 35 2.715 5.967 0.398 1.00 0.00 C ATOM 439 O HIS A 35 2.814 6.982 -0.291 1.00 0.00 O ATOM 440 CB HIS A 35 3.791 6.072 2.706 1.00 0.00 C ATOM 441 CG HIS A 35 4.815 7.065 2.212 1.00 0.00 C ATOM 442 ND1 HIS A 35 4.978 8.318 2.776 1.00 0.00 N ATOM 443 CD2 HIS A 35 5.727 6.976 1.201 1.00 0.00 C ATOM 444 CE1 HIS A 35 5.947 8.947 2.126 1.00 0.00 C ATOM 445 NE2 HIS A 35 6.409 8.113 1.150 1.00 0.00 N ATOM 0 H HIS A 35 2.088 4.221 2.803 1.00 0.00 H new ATOM 0 HA HIS A 35 2.010 7.034 2.101 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.566 6.288 3.750 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.224 5.072 2.673 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.870 6.124 0.552 1.00 0.00 H new ATOM 0 HE1 HIS A 35 6.307 9.944 2.333 1.00 0.00 H new ATOM 0 HE2 HIS A 35 7.156 8.328 0.490 1.00 0.00 H new ATOM 453 N MET A 36 2.794 4.731 -0.071 1.00 0.00 N ATOM 454 CA MET A 36 3.010 4.479 -1.486 1.00 0.00 C ATOM 455 C MET A 36 1.752 4.795 -2.297 1.00 0.00 C ATOM 456 O MET A 36 1.836 5.370 -3.381 1.00 0.00 O ATOM 457 CB MET A 36 3.395 3.013 -1.691 1.00 0.00 C ATOM 458 CG MET A 36 4.489 2.591 -0.708 1.00 0.00 C ATOM 459 SD MET A 36 6.071 2.556 -1.533 1.00 0.00 S ATOM 460 CE MET A 36 6.123 4.221 -2.174 1.00 0.00 C ATOM 0 H MET A 36 2.712 3.892 0.504 1.00 0.00 H new ATOM 0 HA MET A 36 3.815 5.127 -1.832 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.517 2.381 -1.557 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.742 2.864 -2.713 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.523 3.286 0.131 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.261 1.607 -0.298 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.140 4.460 -2.484 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.454 4.302 -3.031 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.807 4.919 -1.399 1.00 0.00 H new ATOM 470 N LEU A 37 0.614 4.405 -1.741 1.00 0.00 N ATOM 471 CA LEU A 37 -0.660 4.639 -2.399 1.00 0.00 C ATOM 472 C LEU A 37 -1.051 6.110 -2.236 1.00 0.00 C ATOM 473 O LEU A 37 -1.875 6.624 -2.990 1.00 0.00 O ATOM 474 CB LEU A 37 -1.717 3.661 -1.883 1.00 0.00 C ATOM 475 CG LEU A 37 -1.642 2.238 -2.439 1.00 0.00 C ATOM 476 CD1 LEU A 37 -2.272 1.236 -1.469 1.00 0.00 C ATOM 477 CD2 LEU A 37 -2.269 2.159 -3.832 1.00 0.00 C ATOM 0 H LEU A 37 0.548 3.928 -0.842 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.577 4.447 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.637 3.610 -0.797 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.702 4.068 -2.112 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.591 1.968 -2.544 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.205 0.232 -1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.741 1.268 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.319 1.494 -1.309 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.202 1.136 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.316 2.457 -3.777 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.736 2.827 -4.509 1.00 0.00 H new ATOM 489 N GLU A 38 -0.440 6.745 -1.246 1.00 0.00 N ATOM 490 CA GLU A 38 -0.714 8.145 -0.974 1.00 0.00 C ATOM 491 C GLU A 38 -0.025 9.032 -2.013 1.00 0.00 C ATOM 492 O GLU A 38 -0.424 10.177 -2.220 1.00 0.00 O ATOM 493 CB GLU A 38 -0.280 8.524 0.443 1.00 0.00 C ATOM 494 CG GLU A 38 -1.443 8.387 1.428 1.00 0.00 C ATOM 495 CD GLU A 38 -0.960 8.535 2.872 1.00 0.00 C ATOM 496 OE1 GLU A 38 0.197 8.136 3.126 1.00 0.00 O ATOM 497 OE2 GLU A 38 -1.758 9.043 3.689 1.00 0.00 O ATOM 0 H GLU A 38 0.244 6.315 -0.623 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.790 8.304 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 38 0.545 7.885 0.758 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.090 9.549 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.197 9.145 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.921 7.416 1.299 1.00 0.00 H new ATOM 504 N ALA A 39 0.997 8.469 -2.640 1.00 0.00 N ATOM 505 CA ALA A 39 1.745 9.195 -3.653 1.00 0.00 C ATOM 506 C ALA A 39 1.362 8.669 -5.038 1.00 0.00 C ATOM 507 O ALA A 39 2.003 9.006 -6.033 1.00 0.00 O ATOM 508 CB ALA A 39 3.244 9.063 -3.374 1.00 0.00 C ATOM 0 H ALA A 39 1.325 7.519 -2.467 1.00 0.00 H new ATOM 0 HA ALA A 39 1.500 10.257 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.805 9.607 -4.134 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.469 9.477 -2.391 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.527 8.011 -3.398 1.00 0.00 H new ATOM 514 N CYS A 40 0.319 7.853 -5.058 1.00 0.00 N ATOM 515 CA CYS A 40 -0.158 7.278 -6.305 1.00 0.00 C ATOM 516 C CYS A 40 -1.671 7.488 -6.383 1.00 0.00 C ATOM 517 O CYS A 40 -2.380 6.697 -7.004 1.00 0.00 O ATOM 518 CB CYS A 40 0.220 5.800 -6.427 1.00 0.00 C ATOM 519 SG CYS A 40 2.039 5.612 -6.360 1.00 0.00 S ATOM 0 H CYS A 40 -0.210 7.576 -4.231 1.00 0.00 H new ATOM 0 HA CYS A 40 0.321 7.779 -7.146 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -0.243 5.230 -5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.162 5.395 -7.364 1.00 0.00 H new ATOM 0 HG CYS A 40 2.419 5.510 -5.121 1.00 0.00 H new ATOM 525 N ASN A 41 -2.121 8.559 -5.745 1.00 0.00 N ATOM 526 CA ASN A 41 -3.538 8.883 -5.736 1.00 0.00 C ATOM 527 C ASN A 41 -4.345 7.616 -5.446 1.00 0.00 C ATOM 528 O ASN A 41 -5.423 7.421 -6.004 1.00 0.00 O ATOM 529 CB ASN A 41 -3.987 9.430 -7.092 1.00 0.00 C ATOM 530 CG ASN A 41 -3.676 10.923 -7.212 1.00 0.00 C ATOM 531 OD1 ASN A 41 -4.040 11.728 -6.371 1.00 0.00 O ATOM 532 ND2 ASN A 41 -2.985 11.246 -8.301 1.00 0.00 N ATOM 0 H ASN A 41 -1.530 9.213 -5.231 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.706 9.639 -4.969 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -3.486 8.885 -7.892 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -5.057 9.267 -7.217 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.728 12.218 -8.472 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.712 10.522 -8.965 1.00 0.00 H new ATOM 539 N ASN A 42 -3.791 6.787 -4.573 1.00 0.00 N ATOM 540 CA ASN A 42 -4.446 5.544 -4.202 1.00 0.00 C ATOM 541 C ASN A 42 -4.498 4.618 -5.418 1.00 0.00 C ATOM 542 O ASN A 42 -5.564 4.122 -5.780 1.00 0.00 O ATOM 543 CB ASN A 42 -5.882 5.796 -3.737 1.00 0.00 C ATOM 544 CG ASN A 42 -5.923 6.850 -2.629 1.00 0.00 C ATOM 545 OD1 ASN A 42 -4.935 7.140 -1.976 1.00 0.00 O ATOM 546 ND2 ASN A 42 -7.120 7.404 -2.454 1.00 0.00 N ATOM 0 H ASN A 42 -2.896 6.952 -4.112 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.878 5.092 -3.389 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.488 6.126 -4.580 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.319 4.866 -3.375 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -7.252 8.118 -1.738 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.906 7.115 -3.036 1.00 0.00 H new ATOM 553 N ASN A 43 -3.334 4.411 -6.015 1.00 0.00 N ATOM 554 CA ASN A 43 -3.233 3.553 -7.183 1.00 0.00 C ATOM 555 C ASN A 43 -2.170 2.481 -6.933 1.00 0.00 C ATOM 556 O ASN A 43 -0.974 2.764 -6.986 1.00 0.00 O ATOM 557 CB ASN A 43 -2.817 4.352 -8.420 1.00 0.00 C ATOM 558 CG ASN A 43 -2.580 3.428 -9.616 1.00 0.00 C ATOM 559 OD1 ASN A 43 -2.518 2.215 -9.493 1.00 0.00 O ATOM 560 ND2 ASN A 43 -2.452 4.066 -10.775 1.00 0.00 N ATOM 0 H ASN A 43 -2.452 4.823 -5.711 1.00 0.00 H new ATOM 0 HA ASN A 43 -4.211 3.104 -7.356 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.592 5.079 -8.665 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.909 4.915 -8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -2.291 3.538 -11.633 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.515 5.084 -10.807 1.00 0.00 H new ATOM 567 N LEU A 44 -2.644 1.273 -6.665 1.00 0.00 N ATOM 568 CA LEU A 44 -1.750 0.158 -6.407 1.00 0.00 C ATOM 569 C LEU A 44 -0.783 0.002 -7.582 1.00 0.00 C ATOM 570 O LEU A 44 0.432 0.060 -7.403 1.00 0.00 O ATOM 571 CB LEU A 44 -2.549 -1.109 -6.095 1.00 0.00 C ATOM 572 CG LEU A 44 -1.729 -2.380 -5.866 1.00 0.00 C ATOM 573 CD1 LEU A 44 -1.108 -2.386 -4.467 1.00 0.00 C ATOM 574 CD2 LEU A 44 -2.571 -3.630 -6.124 1.00 0.00 C ATOM 0 H LEU A 44 -3.637 1.042 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.146 0.352 -5.521 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.152 -0.925 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.241 -1.290 -6.918 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.909 -2.391 -6.584 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.530 -3.300 -4.329 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.453 -1.522 -4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.898 -2.340 -3.718 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.964 -4.519 -5.954 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.425 -3.639 -5.447 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.925 -3.624 -7.155 1.00 0.00 H new ATOM 586 N GLU A 45 -1.360 -0.192 -8.759 1.00 0.00 N ATOM 587 CA GLU A 45 -0.565 -0.357 -9.964 1.00 0.00 C ATOM 588 C GLU A 45 0.631 0.598 -9.946 1.00 0.00 C ATOM 589 O GLU A 45 1.763 0.186 -10.196 1.00 0.00 O ATOM 590 CB GLU A 45 -1.417 -0.144 -11.217 1.00 0.00 C ATOM 591 CG GLU A 45 -2.247 -1.389 -11.534 1.00 0.00 C ATOM 592 CD GLU A 45 -1.950 -1.902 -12.944 1.00 0.00 C ATOM 593 OE1 GLU A 45 -0.927 -2.606 -13.089 1.00 0.00 O ATOM 594 OE2 GLU A 45 -2.753 -1.579 -13.846 1.00 0.00 O ATOM 0 H GLU A 45 -2.369 -0.239 -8.904 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.189 -1.380 -9.990 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.078 0.710 -11.071 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.772 0.093 -12.063 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.030 -2.170 -10.806 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.308 -1.156 -11.444 1.00 0.00 H new ATOM 601 N MET A 46 0.339 1.855 -9.647 1.00 0.00 N ATOM 602 CA MET A 46 1.376 2.872 -9.593 1.00 0.00 C ATOM 603 C MET A 46 2.288 2.661 -8.382 1.00 0.00 C ATOM 604 O MET A 46 3.508 2.599 -8.523 1.00 0.00 O ATOM 605 CB MET A 46 0.730 4.256 -9.510 1.00 0.00 C ATOM 606 CG MET A 46 0.466 4.822 -10.907 1.00 0.00 C ATOM 607 SD MET A 46 1.847 5.826 -11.430 1.00 0.00 S ATOM 608 CE MET A 46 1.264 7.438 -10.931 1.00 0.00 C ATOM 0 H MET A 46 -0.601 2.193 -9.440 1.00 0.00 H new ATOM 0 HA MET A 46 1.980 2.797 -10.497 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.207 4.191 -8.957 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.381 4.933 -8.957 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.309 4.008 -11.615 1.00 0.00 H new ATOM 0 HG3 MET A 46 -0.446 5.419 -10.900 1.00 0.00 H new ATOM 0 HE1 MET A 46 2.011 8.190 -11.185 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.331 7.664 -11.448 1.00 0.00 H new ATOM 0 HE3 MET A 46 1.093 7.446 -9.854 1.00 0.00 H new ATOM 618 N ALA A 47 1.660 2.555 -7.220 1.00 0.00 N ATOM 619 CA ALA A 47 2.399 2.352 -5.986 1.00 0.00 C ATOM 620 C ALA A 47 3.362 1.176 -6.161 1.00 0.00 C ATOM 621 O ALA A 47 4.542 1.281 -5.831 1.00 0.00 O ATOM 622 CB ALA A 47 1.418 2.136 -4.832 1.00 0.00 C ATOM 0 H ALA A 47 0.648 2.606 -7.107 1.00 0.00 H new ATOM 0 HA ALA A 47 2.994 3.233 -5.746 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.973 1.984 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.777 3.012 -4.731 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.804 1.259 -5.036 1.00 0.00 H new ATOM 628 N VAL A 48 2.822 0.083 -6.679 1.00 0.00 N ATOM 629 CA VAL A 48 3.619 -1.112 -6.902 1.00 0.00 C ATOM 630 C VAL A 48 4.761 -0.786 -7.867 1.00 0.00 C ATOM 631 O VAL A 48 5.931 -0.968 -7.534 1.00 0.00 O ATOM 632 CB VAL A 48 2.726 -2.251 -7.396 1.00 0.00 C ATOM 633 CG1 VAL A 48 3.558 -3.486 -7.751 1.00 0.00 C ATOM 634 CG2 VAL A 48 1.651 -2.593 -6.363 1.00 0.00 C ATOM 0 H VAL A 48 1.842 -0.001 -6.951 1.00 0.00 H new ATOM 0 HA VAL A 48 4.069 -1.451 -5.969 1.00 0.00 H new ATOM 0 HB VAL A 48 2.224 -1.913 -8.303 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.899 -4.281 -8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.268 -3.232 -8.538 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.100 -3.825 -6.869 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.030 -3.406 -6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.126 -2.901 -5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.030 -1.716 -6.181 1.00 0.00 H new ATOM 644 N THR A 49 4.381 -0.308 -9.043 1.00 0.00 N ATOM 645 CA THR A 49 5.359 0.045 -10.058 1.00 0.00 C ATOM 646 C THR A 49 6.379 1.036 -9.494 1.00 0.00 C ATOM 647 O THR A 49 7.547 1.016 -9.878 1.00 0.00 O ATOM 648 CB THR A 49 4.603 0.577 -11.277 1.00 0.00 C ATOM 649 OG1 THR A 49 3.904 -0.559 -11.776 1.00 0.00 O ATOM 650 CG2 THR A 49 5.540 0.971 -12.421 1.00 0.00 C ATOM 0 H THR A 49 3.410 -0.157 -9.315 1.00 0.00 H new ATOM 0 HA THR A 49 5.937 -0.825 -10.370 1.00 0.00 H new ATOM 0 HB THR A 49 4.005 1.440 -10.984 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.012 -0.598 -11.372 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.953 1.342 -13.261 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.221 1.752 -12.081 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.115 0.100 -12.737 1.00 0.00 H new ATOM 658 N MET A 50 5.899 1.881 -8.593 1.00 0.00 N ATOM 659 CA MET A 50 6.755 2.878 -7.972 1.00 0.00 C ATOM 660 C MET A 50 7.688 2.237 -6.943 1.00 0.00 C ATOM 661 O MET A 50 8.906 2.379 -7.031 1.00 0.00 O ATOM 662 CB MET A 50 5.889 3.937 -7.287 1.00 0.00 C ATOM 663 CG MET A 50 5.115 4.763 -8.316 1.00 0.00 C ATOM 664 SD MET A 50 5.634 6.469 -8.245 1.00 0.00 S ATOM 665 CE MET A 50 5.161 6.868 -6.571 1.00 0.00 C ATOM 0 H MET A 50 4.929 1.896 -8.278 1.00 0.00 H new ATOM 0 HA MET A 50 7.365 3.340 -8.748 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.191 3.454 -6.604 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.519 4.594 -6.687 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.284 4.364 -9.316 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.045 4.691 -8.121 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.282 7.512 -6.585 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.931 5.951 -6.030 1.00 0.00 H new ATOM 0 HE3 MET A 50 5.982 7.386 -6.075 1.00 0.00 H new ATOM 675 N PHE A 51 7.080 1.544 -5.992 1.00 0.00 N ATOM 676 CA PHE A 51 7.841 0.880 -4.947 1.00 0.00 C ATOM 677 C PHE A 51 8.781 -0.173 -5.538 1.00 0.00 C ATOM 678 O PHE A 51 9.942 -0.265 -5.143 1.00 0.00 O ATOM 679 CB PHE A 51 6.832 0.187 -4.030 1.00 0.00 C ATOM 680 CG PHE A 51 7.468 -0.734 -2.986 1.00 0.00 C ATOM 681 CD1 PHE A 51 8.037 -0.205 -1.870 1.00 0.00 C ATOM 682 CD2 PHE A 51 7.465 -2.080 -3.176 1.00 0.00 C ATOM 683 CE1 PHE A 51 8.628 -1.059 -0.902 1.00 0.00 C ATOM 684 CE2 PHE A 51 8.056 -2.935 -2.207 1.00 0.00 C ATOM 685 CZ PHE A 51 8.625 -2.406 -1.091 1.00 0.00 C ATOM 0 H PHE A 51 6.069 1.428 -5.923 1.00 0.00 H new ATOM 0 HA PHE A 51 8.447 1.609 -4.409 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.241 0.946 -3.518 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.142 -0.395 -4.641 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.039 0.865 -1.720 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.014 -2.499 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.080 -0.639 -0.016 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.053 -4.005 -2.357 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.075 -3.056 -0.355 1.00 0.00 H new ATOM 695 N LEU A 52 8.244 -0.940 -6.475 1.00 0.00 N ATOM 696 CA LEU A 52 9.021 -1.982 -7.125 1.00 0.00 C ATOM 697 C LEU A 52 10.286 -1.369 -7.727 1.00 0.00 C ATOM 698 O LEU A 52 11.397 -1.699 -7.314 1.00 0.00 O ATOM 699 CB LEU A 52 8.160 -2.738 -8.140 1.00 0.00 C ATOM 700 CG LEU A 52 7.291 -3.864 -7.576 1.00 0.00 C ATOM 701 CD1 LEU A 52 6.365 -4.432 -8.653 1.00 0.00 C ATOM 702 CD2 LEU A 52 8.153 -4.950 -6.929 1.00 0.00 C ATOM 0 H LEU A 52 7.280 -0.861 -6.800 1.00 0.00 H new ATOM 0 HA LEU A 52 9.343 -2.727 -6.397 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.510 -2.021 -8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.817 -3.159 -8.901 1.00 0.00 H new ATOM 0 HG LEU A 52 6.657 -3.448 -6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.758 -5.231 -8.227 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.714 -3.642 -9.027 1.00 0.00 H new ATOM 0 HD13 LEU A 52 6.962 -4.829 -9.474 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.511 -5.738 -6.536 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.829 -5.370 -7.674 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.734 -4.516 -6.115 1.00 0.00 H new ATOM 714 N ASP A 53 10.076 -0.488 -8.694 1.00 0.00 N ATOM 715 CA ASP A 53 11.186 0.175 -9.357 1.00 0.00 C ATOM 716 C ASP A 53 12.127 0.763 -8.303 1.00 0.00 C ATOM 717 O ASP A 53 13.339 0.562 -8.366 1.00 0.00 O ATOM 718 CB ASP A 53 10.694 1.320 -10.243 1.00 0.00 C ATOM 719 CG ASP A 53 11.799 2.154 -10.896 1.00 0.00 C ATOM 720 OD1 ASP A 53 12.959 2.005 -10.453 1.00 0.00 O ATOM 721 OD2 ASP A 53 11.459 2.920 -11.823 1.00 0.00 O ATOM 0 H ASP A 53 9.153 -0.218 -9.034 1.00 0.00 H new ATOM 0 HA ASP A 53 11.699 -0.563 -9.974 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.061 0.906 -11.027 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.068 1.980 -9.643 1.00 0.00 H new ATOM 726 N GLY A 54 11.533 1.478 -7.359 1.00 0.00 N ATOM 727 CA GLY A 54 12.302 2.097 -6.293 1.00 0.00 C ATOM 728 C GLY A 54 12.559 1.106 -5.156 1.00 0.00 C ATOM 729 O GLY A 54 11.962 1.216 -4.086 1.00 0.00 O ATOM 0 H GLY A 54 10.528 1.642 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.252 2.458 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.766 2.965 -5.909 1.00 0.00 H new ATOM 733 N GLY A 55 13.447 0.161 -5.426 1.00 0.00 N ATOM 734 CA GLY A 55 13.789 -0.848 -4.439 1.00 0.00 C ATOM 735 C GLY A 55 13.302 -2.231 -4.876 1.00 0.00 C ATOM 736 O GLY A 55 12.206 -2.652 -4.510 1.00 0.00 O ATOM 0 H GLY A 55 13.940 0.073 -6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.869 -0.868 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 55 13.343 -0.588 -3.479 1.00 0.00 H new ATOM 740 N GLY A 56 14.141 -2.900 -5.654 1.00 0.00 N ATOM 741 CA GLY A 56 13.809 -4.226 -6.146 1.00 0.00 C ATOM 742 C GLY A 56 14.804 -5.267 -5.628 1.00 0.00 C ATOM 743 O GLY A 56 15.803 -5.557 -6.285 1.00 0.00 O ATOM 0 H GLY A 56 15.050 -2.548 -5.955 1.00 0.00 H new ATOM 0 HA2 GLY A 56 12.800 -4.493 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 56 13.812 -4.225 -7.236 1.00 0.00 H new ATOM 747 N SER A 57 14.496 -5.801 -4.455 1.00 0.00 N ATOM 748 CA SER A 57 15.351 -6.803 -3.842 1.00 0.00 C ATOM 749 C SER A 57 14.603 -7.505 -2.706 1.00 0.00 C ATOM 750 O SER A 57 14.360 -6.909 -1.658 1.00 0.00 O ATOM 751 CB SER A 57 16.645 -6.178 -3.318 1.00 0.00 C ATOM 752 OG SER A 57 17.685 -7.142 -3.176 1.00 0.00 O ATOM 0 H SER A 57 13.666 -5.559 -3.913 1.00 0.00 H new ATOM 0 HA SER A 57 15.616 -7.537 -4.603 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.970 -5.392 -4.000 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.455 -5.705 -2.354 1.00 0.00 H new ATOM 0 HG SER A 57 18.495 -6.703 -2.841 1.00 0.00 H new ATOM 758 N GLY A 58 14.259 -8.760 -2.954 1.00 0.00 N ATOM 759 CA GLY A 58 13.544 -9.549 -1.965 1.00 0.00 C ATOM 760 C GLY A 58 14.501 -10.095 -0.903 1.00 0.00 C ATOM 761 O GLY A 58 15.640 -9.643 -0.797 1.00 0.00 O ATOM 0 H GLY A 58 14.462 -9.250 -3.825 1.00 0.00 H new ATOM 0 HA2 GLY A 58 12.779 -8.936 -1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 58 13.030 -10.375 -2.456 1.00 0.00 H new ATOM 765 N PRO A 59 13.989 -11.085 -0.124 1.00 0.00 N ATOM 766 CA PRO A 59 14.785 -11.698 0.926 1.00 0.00 C ATOM 767 C PRO A 59 15.827 -12.652 0.339 1.00 0.00 C ATOM 768 O PRO A 59 16.971 -12.683 0.791 1.00 0.00 O ATOM 769 CB PRO A 59 13.779 -12.398 1.825 1.00 0.00 C ATOM 770 CG PRO A 59 12.512 -12.545 0.998 1.00 0.00 C ATOM 771 CD PRO A 59 12.644 -11.645 -0.221 1.00 0.00 C ATOM 0 HA PRO A 59 15.366 -10.970 1.492 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.152 -13.371 2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 59 13.591 -11.817 2.728 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.373 -13.582 0.693 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.638 -12.266 1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.515 -12.209 -1.145 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.887 -10.861 -0.218 1.00 0.00 H new ATOM 779 N SER A 60 15.394 -13.407 -0.660 1.00 0.00 N ATOM 780 CA SER A 60 16.276 -14.359 -1.315 1.00 0.00 C ATOM 781 C SER A 60 15.662 -14.815 -2.640 1.00 0.00 C ATOM 782 O SER A 60 14.879 -15.764 -2.672 1.00 0.00 O ATOM 783 CB SER A 60 16.550 -15.565 -0.414 1.00 0.00 C ATOM 784 OG SER A 60 17.930 -15.679 -0.080 1.00 0.00 O ATOM 0 H SER A 60 14.445 -13.379 -1.032 1.00 0.00 H new ATOM 0 HA SER A 60 17.227 -13.864 -1.514 1.00 0.00 H new ATOM 0 HB2 SER A 60 15.962 -15.476 0.500 1.00 0.00 H new ATOM 0 HB3 SER A 60 16.222 -16.475 -0.917 1.00 0.00 H new ATOM 0 HG SER A 60 18.063 -16.460 0.497 1.00 0.00 H new ATOM 790 N SER A 61 16.039 -14.118 -3.701 1.00 0.00 N ATOM 791 CA SER A 61 15.535 -14.440 -5.026 1.00 0.00 C ATOM 792 C SER A 61 16.589 -14.101 -6.083 1.00 0.00 C ATOM 793 O SER A 61 17.336 -13.136 -5.932 1.00 0.00 O ATOM 794 CB SER A 61 14.233 -13.692 -5.316 1.00 0.00 C ATOM 795 OG SER A 61 13.116 -14.290 -4.663 1.00 0.00 O ATOM 0 H SER A 61 16.688 -13.331 -3.671 1.00 0.00 H new ATOM 0 HA SER A 61 15.324 -15.509 -5.062 1.00 0.00 H new ATOM 0 HB2 SER A 61 14.330 -12.656 -4.992 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.057 -13.674 -6.392 1.00 0.00 H new ATOM 0 HG SER A 61 13.433 -14.942 -4.004 1.00 0.00 H new ATOM 801 N GLY A 62 16.614 -14.915 -7.128 1.00 0.00 N ATOM 802 CA GLY A 62 17.564 -14.714 -8.210 1.00 0.00 C ATOM 803 C GLY A 62 17.928 -16.043 -8.873 1.00 0.00 C ATOM 804 O GLY A 62 17.699 -16.228 -10.067 1.00 0.00 O ATOM 0 H GLY A 62 15.992 -15.715 -7.249 1.00 0.00 H new ATOM 0 HA2 GLY A 62 17.138 -14.038 -8.952 1.00 0.00 H new ATOM 0 HA3 GLY A 62 18.465 -14.237 -7.824 1.00 0.00 H new TER 808 GLY A 62