USER MOD reduce.3.24.130724 H: found=0, std=0, add=460, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 458 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 5 TYR OH : rot 150:sc= -1.33 USER MOD Set 2.2: A 37 GLN : amide:sc= 0 X(o=-1.3,f=-1.5) USER MOD Single : A 1 VAL N :NH3+ 147:sc= -0.284 (180deg=-0.484) USER MOD Single : A 11 ASN : amide:sc= -2.03 K(o=-2,f=-9.5!) USER MOD Single : A 19 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.41 X(o=-1.4,f=-1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -34:sc= 0.847 USER MOD Single : A 29 ASN : amide:sc= -3.36! C(o=-3.4!,f=-7.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -62:sc= -0.317 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.804 X(o=-0.8,f=-0.82) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 2.064 -0.342 0.193 1.00 64.52 N ATOM 2 CA VAL A 1 2.563 -0.204 -1.170 1.00 55.45 C ATOM 3 C VAL A 1 3.415 1.052 -1.319 1.00 74.20 C ATOM 4 O VAL A 1 3.151 2.072 -0.683 1.00 55.41 O ATOM 5 CB VAL A 1 1.407 -0.150 -2.187 1.00 41.15 C ATOM 6 CG1 VAL A 1 0.766 -1.521 -2.341 1.00 3.11 C ATOM 7 CG2 VAL A 1 0.375 0.886 -1.767 1.00 24.21 C ATOM 0 H1 VAL A 1 1.126 -0.791 0.176 1.00 64.52 H new ATOM 0 H2 VAL A 1 2.720 -0.931 0.745 1.00 64.52 H new ATOM 0 H3 VAL A 1 1.990 0.598 0.632 1.00 64.52 H new ATOM 0 HA VAL A 1 3.176 -1.082 -1.373 1.00 55.45 H new ATOM 0 HB VAL A 1 1.812 0.146 -3.155 1.00 41.15 H new ATOM 0 HG11 VAL A 1 -0.048 -1.463 -3.063 1.00 3.11 H new ATOM 0 HG12 VAL A 1 1.512 -2.234 -2.692 1.00 3.11 H new ATOM 0 HG13 VAL A 1 0.374 -1.850 -1.378 1.00 3.11 H new ATOM 0 HG21 VAL A 1 -0.434 0.910 -2.497 1.00 24.21 H new ATOM 0 HG22 VAL A 1 -0.027 0.623 -0.788 1.00 24.21 H new ATOM 0 HG23 VAL A 1 0.846 1.868 -1.714 1.00 24.21 H new ATOM 17 N ARG A 2 4.438 0.969 -2.163 1.00 54.53 N ATOM 18 CA ARG A 2 5.330 2.099 -2.395 1.00 54.13 C ATOM 19 C ARG A 2 5.651 2.242 -3.880 1.00 51.21 C ATOM 20 O ARG A 2 5.697 1.254 -4.613 1.00 51.45 O ATOM 21 CB ARG A 2 6.623 1.927 -1.597 1.00 1.21 C ATOM 22 CG ARG A 2 6.477 1.017 -0.389 1.00 33.42 C ATOM 23 CD ARG A 2 6.629 -0.447 -0.773 1.00 0.14 C ATOM 24 NE ARG A 2 7.982 -0.939 -0.527 1.00 70.24 N ATOM 25 CZ ARG A 2 8.384 -1.433 0.638 1.00 5.44 C ATOM 26 NH1 ARG A 2 7.542 -1.499 1.660 1.00 22.41 N ATOM 27 NH2 ARG A 2 9.632 -1.861 0.784 1.00 51.13 N ATOM 0 H ARG A 2 4.670 0.132 -2.697 1.00 54.53 H new ATOM 0 HA ARG A 2 4.823 3.005 -2.062 1.00 54.13 H new ATOM 0 HB2 ARG A 2 7.394 1.524 -2.254 1.00 1.21 H new ATOM 0 HB3 ARG A 2 6.967 2.906 -1.264 1.00 1.21 H new ATOM 0 HG2 ARG A 2 7.227 1.278 0.358 1.00 33.42 H new ATOM 0 HG3 ARG A 2 5.501 1.174 0.071 1.00 33.42 H new ATOM 0 HD2 ARG A 2 5.917 -1.046 -0.206 1.00 0.14 H new ATOM 0 HD3 ARG A 2 6.384 -0.573 -1.828 1.00 0.14 H new ATOM 0 HE ARG A 2 8.655 -0.901 -1.292 1.00 70.24 H new ATOM 0 HH11 ARG A 2 6.583 -1.170 1.552 1.00 22.41 H new ATOM 0 HH12 ARG A 2 7.854 -1.879 2.554 1.00 22.41 H new ATOM 0 HH21 ARG A 2 10.283 -1.811 0.001 1.00 51.13 H new ATOM 0 HH22 ARG A 2 9.940 -2.240 1.680 1.00 51.13 H new ATOM 41 N ASP A 3 5.872 3.478 -4.316 1.00 34.52 N ATOM 42 CA ASP A 3 6.189 3.750 -5.713 1.00 1.32 C ATOM 43 C ASP A 3 7.695 3.900 -5.909 1.00 34.23 C ATOM 44 O ASP A 3 8.381 4.504 -5.085 1.00 14.11 O ATOM 45 CB ASP A 3 5.473 5.017 -6.183 1.00 13.21 C ATOM 46 CG ASP A 3 4.277 5.362 -5.316 1.00 64.33 C ATOM 47 OD1 ASP A 3 3.432 4.471 -5.090 1.00 31.34 O ATOM 48 OD2 ASP A 3 4.188 6.522 -4.864 1.00 51.10 O ATOM 0 H ASP A 3 5.837 4.307 -3.722 1.00 34.52 H new ATOM 0 HA ASP A 3 5.845 2.905 -6.309 1.00 1.32 H new ATOM 0 HB2 ASP A 3 6.175 5.851 -6.177 1.00 13.21 H new ATOM 0 HB3 ASP A 3 5.145 4.884 -7.214 1.00 13.21 H new ATOM 53 N ALA A 4 8.202 3.344 -7.004 1.00 54.44 N ATOM 54 CA ALA A 4 9.625 3.417 -7.309 1.00 22.21 C ATOM 55 C ALA A 4 9.949 2.675 -8.601 1.00 54.04 C ATOM 56 O ALA A 4 9.051 2.195 -9.294 1.00 42.24 O ATOM 57 CB ALA A 4 10.441 2.852 -6.156 1.00 20.25 C ATOM 0 H ALA A 4 7.648 2.838 -7.695 1.00 54.44 H new ATOM 0 HA ALA A 4 9.888 4.466 -7.447 1.00 22.21 H new ATOM 0 HB1 ALA A 4 11.502 2.913 -6.397 1.00 20.25 H new ATOM 0 HB2 ALA A 4 10.241 3.428 -5.252 1.00 20.25 H new ATOM 0 HB3 ALA A 4 10.165 1.810 -5.991 1.00 20.25 H new ATOM 63 N TYR A 5 11.235 2.585 -8.920 1.00 51.44 N ATOM 64 CA TYR A 5 11.676 1.905 -10.132 1.00 23.41 C ATOM 65 C TYR A 5 11.679 0.392 -9.936 1.00 63.42 C ATOM 66 O TYR A 5 12.549 -0.156 -9.258 1.00 43.11 O ATOM 67 CB TYR A 5 13.074 2.381 -10.529 1.00 42.45 C ATOM 68 CG TYR A 5 13.067 3.463 -11.586 1.00 4.44 C ATOM 69 CD1 TYR A 5 12.613 3.203 -12.872 1.00 62.05 C ATOM 70 CD2 TYR A 5 13.514 4.747 -11.296 1.00 23.11 C ATOM 71 CE1 TYR A 5 12.606 4.188 -13.841 1.00 10.45 C ATOM 72 CE2 TYR A 5 13.509 5.739 -12.257 1.00 63.03 C ATOM 73 CZ TYR A 5 13.055 5.455 -13.528 1.00 73.31 C ATOM 74 OH TYR A 5 13.048 6.439 -14.489 1.00 53.52 O ATOM 0 H TYR A 5 11.991 2.974 -8.356 1.00 51.44 H new ATOM 0 HA TYR A 5 10.976 2.149 -10.931 1.00 23.41 H new ATOM 0 HB2 TYR A 5 13.587 2.754 -9.643 1.00 42.45 H new ATOM 0 HB3 TYR A 5 13.648 1.530 -10.896 1.00 42.45 H new ATOM 0 HD1 TYR A 5 12.259 2.213 -13.119 1.00 62.05 H new ATOM 0 HD2 TYR A 5 13.871 4.973 -10.302 1.00 23.11 H new ATOM 0 HE1 TYR A 5 12.251 3.968 -14.837 1.00 10.45 H new ATOM 0 HE2 TYR A 5 13.859 6.732 -12.015 1.00 63.03 H new ATOM 0 HH TYR A 5 12.920 7.312 -14.062 1.00 53.52 H new ATOM 84 N ILE A 6 10.700 -0.278 -10.536 1.00 4.25 N ATOM 85 CA ILE A 6 10.590 -1.727 -10.429 1.00 63.34 C ATOM 86 C ILE A 6 11.777 -2.419 -11.092 1.00 52.23 C ATOM 87 O ILE A 6 12.285 -1.958 -12.114 1.00 71.31 O ATOM 88 CB ILE A 6 9.288 -2.241 -11.070 1.00 35.41 C ATOM 89 CG1 ILE A 6 9.268 -3.771 -11.082 1.00 25.32 C ATOM 90 CG2 ILE A 6 9.139 -1.693 -12.481 1.00 62.54 C ATOM 91 CD1 ILE A 6 7.892 -4.357 -11.305 1.00 14.32 C ATOM 0 H ILE A 6 9.972 0.160 -11.101 1.00 4.25 H new ATOM 0 HA ILE A 6 10.581 -1.965 -9.365 1.00 63.34 H new ATOM 0 HB ILE A 6 8.445 -1.890 -10.474 1.00 35.41 H new ATOM 0 HG12 ILE A 6 9.937 -4.129 -11.865 1.00 25.32 H new ATOM 0 HG13 ILE A 6 9.661 -4.139 -10.134 1.00 25.32 H new ATOM 0 HG21 ILE A 6 8.214 -2.066 -12.920 1.00 62.54 H new ATOM 0 HG22 ILE A 6 9.112 -0.604 -12.447 1.00 62.54 H new ATOM 0 HG23 ILE A 6 9.985 -2.016 -13.088 1.00 62.54 H new ATOM 0 HD11 ILE A 6 7.955 -5.445 -11.301 1.00 14.32 H new ATOM 0 HD12 ILE A 6 7.224 -4.029 -10.509 1.00 14.32 H new ATOM 0 HD13 ILE A 6 7.504 -4.019 -12.266 1.00 14.32 H new ATOM 103 N ALA A 7 12.212 -3.528 -10.504 1.00 64.12 N ATOM 104 CA ALA A 7 13.337 -4.286 -11.040 1.00 15.23 C ATOM 105 C ALA A 7 13.173 -5.777 -10.767 1.00 22.23 C ATOM 106 O ALA A 7 12.244 -6.194 -10.075 1.00 22.41 O ATOM 107 CB ALA A 7 14.644 -3.779 -10.449 1.00 31.12 C ATOM 0 H ALA A 7 11.803 -3.922 -9.657 1.00 64.12 H new ATOM 0 HA ALA A 7 13.360 -4.142 -12.120 1.00 15.23 H new ATOM 0 HB1 ALA A 7 15.475 -4.354 -10.858 1.00 31.12 H new ATOM 0 HB2 ALA A 7 14.773 -2.726 -10.700 1.00 31.12 H new ATOM 0 HB3 ALA A 7 14.622 -3.894 -9.365 1.00 31.12 H new ATOM 113 N LYS A 8 14.081 -6.577 -11.315 1.00 25.21 N ATOM 114 CA LYS A 8 14.039 -8.023 -11.131 1.00 3.14 C ATOM 115 C LYS A 8 15.259 -8.508 -10.354 1.00 63.21 C ATOM 116 O LYS A 8 16.386 -8.069 -10.583 1.00 42.44 O ATOM 117 CB LYS A 8 13.971 -8.729 -12.487 1.00 13.14 C ATOM 118 CG LYS A 8 14.027 -10.243 -12.387 1.00 71.55 C ATOM 119 CD LYS A 8 14.807 -10.849 -13.542 1.00 73.43 C ATOM 120 CE LYS A 8 14.299 -10.343 -14.884 1.00 24.22 C ATOM 121 NZ LYS A 8 14.279 -11.421 -15.912 1.00 1.35 N ATOM 0 H LYS A 8 14.856 -6.248 -11.891 1.00 25.21 H new ATOM 0 HA LYS A 8 13.144 -8.265 -10.557 1.00 3.14 H new ATOM 0 HB2 LYS A 8 13.049 -8.440 -12.992 1.00 13.14 H new ATOM 0 HB3 LYS A 8 14.797 -8.383 -13.109 1.00 13.14 H new ATOM 0 HG2 LYS A 8 14.491 -10.529 -11.443 1.00 71.55 H new ATOM 0 HG3 LYS A 8 13.014 -10.646 -12.379 1.00 71.55 H new ATOM 0 HD2 LYS A 8 15.864 -10.605 -13.436 1.00 73.43 H new ATOM 0 HD3 LYS A 8 14.726 -11.935 -13.507 1.00 73.43 H new ATOM 0 HE2 LYS A 8 13.294 -9.938 -14.763 1.00 24.22 H new ATOM 0 HE3 LYS A 8 14.933 -9.525 -15.227 1.00 24.22 H new ATOM 0 HZ1 LYS A 8 13.927 -11.036 -16.812 1.00 1.35 H new ATOM 0 HZ2 LYS A 8 15.242 -11.790 -16.047 1.00 1.35 H new ATOM 0 HZ3 LYS A 8 13.654 -12.190 -15.596 1.00 1.35 H new ATOM 135 N PRO A 9 15.032 -9.437 -9.414 1.00 22.41 N ATOM 136 CA PRO A 9 16.101 -10.004 -8.586 1.00 44.13 C ATOM 137 C PRO A 9 17.040 -10.901 -9.386 1.00 34.41 C ATOM 138 O PRO A 9 16.673 -11.411 -10.444 1.00 40.54 O ATOM 139 CB PRO A 9 15.343 -10.822 -7.538 1.00 71.12 C ATOM 140 CG PRO A 9 14.049 -11.168 -8.191 1.00 1.51 C ATOM 141 CD PRO A 9 13.714 -10.007 -9.087 1.00 23.13 C ATOM 0 HA PRO A 9 16.741 -9.231 -8.161 1.00 44.13 H new ATOM 0 HB2 PRO A 9 15.897 -11.718 -7.258 1.00 71.12 H new ATOM 0 HB3 PRO A 9 15.185 -10.247 -6.626 1.00 71.12 H new ATOM 0 HG2 PRO A 9 14.136 -12.091 -8.764 1.00 1.51 H new ATOM 0 HG3 PRO A 9 13.267 -11.326 -7.448 1.00 1.51 H new ATOM 0 HD2 PRO A 9 13.183 -10.330 -9.982 1.00 23.13 H new ATOM 0 HD3 PRO A 9 13.076 -9.281 -8.583 1.00 23.13 H new ATOM 149 N GLU A 10 18.251 -11.091 -8.872 1.00 11.11 N ATOM 150 CA GLU A 10 18.652 -10.472 -7.614 1.00 15.02 C ATOM 151 C GLU A 10 19.155 -9.050 -7.843 1.00 43.12 C ATOM 152 O GLU A 10 20.190 -8.841 -8.474 1.00 64.22 O ATOM 153 CB GLU A 10 19.738 -11.306 -6.933 1.00 25.22 C ATOM 154 CG GLU A 10 19.460 -11.589 -5.466 1.00 54.51 C ATOM 155 CD GLU A 10 18.415 -12.670 -5.268 1.00 64.24 C ATOM 156 OE1 GLU A 10 17.718 -13.007 -6.249 1.00 24.15 O ATOM 157 OE2 GLU A 10 18.295 -13.179 -4.135 1.00 31.33 O ATOM 0 H GLU A 10 18.971 -11.668 -9.307 1.00 11.11 H new ATOM 0 HA GLU A 10 17.777 -10.429 -6.965 1.00 15.02 H new ATOM 0 HB2 GLU A 10 19.843 -12.253 -7.463 1.00 25.22 H new ATOM 0 HB3 GLU A 10 20.692 -10.785 -7.019 1.00 25.22 H new ATOM 0 HG2 GLU A 10 20.386 -11.890 -4.976 1.00 54.51 H new ATOM 0 HG3 GLU A 10 19.126 -10.672 -4.980 1.00 54.51 H new ATOM 164 N ASN A 11 18.414 -8.075 -7.326 1.00 22.30 N ATOM 165 CA ASN A 11 18.784 -6.673 -7.475 1.00 4.50 C ATOM 166 C ASN A 11 19.295 -6.391 -8.885 1.00 32.40 C ATOM 167 O ASN A 11 20.490 -6.179 -9.094 1.00 14.32 O ATOM 168 CB ASN A 11 19.854 -6.294 -6.448 1.00 51.14 C ATOM 169 CG ASN A 11 19.760 -4.841 -6.025 1.00 44.43 C ATOM 170 OD1 ASN A 11 18.689 -4.236 -6.073 1.00 70.33 O ATOM 171 ND2 ASN A 11 20.886 -4.273 -5.608 1.00 51.52 N ATOM 0 H ASN A 11 17.554 -8.231 -6.800 1.00 22.30 H new ATOM 0 HA ASN A 11 17.893 -6.069 -7.303 1.00 4.50 H new ATOM 0 HB2 ASN A 11 19.754 -6.932 -5.570 1.00 51.14 H new ATOM 0 HB3 ASN A 11 20.841 -6.484 -6.869 1.00 51.14 H new ATOM 0 HD21 ASN A 11 20.885 -3.297 -5.311 1.00 51.52 H new ATOM 0 HD22 ASN A 11 21.751 -4.813 -5.585 1.00 51.52 H new ATOM 178 N CYS A 12 18.381 -6.391 -9.850 1.00 22.31 N ATOM 179 CA CYS A 12 18.737 -6.136 -11.240 1.00 70.35 C ATOM 180 C CYS A 12 17.709 -5.227 -11.907 1.00 52.20 C ATOM 181 O CYS A 12 16.502 -5.434 -11.775 1.00 64.14 O ATOM 182 CB CYS A 12 18.844 -7.454 -12.011 1.00 44.41 C ATOM 183 SG CYS A 12 20.551 -7.932 -12.432 1.00 1.13 S ATOM 0 H CYS A 12 17.388 -6.565 -9.694 1.00 22.31 H new ATOM 0 HA CYS A 12 19.704 -5.634 -11.255 1.00 70.35 H new ATOM 0 HB2 CYS A 12 18.392 -8.248 -11.417 1.00 44.41 H new ATOM 0 HB3 CYS A 12 18.263 -7.373 -12.930 1.00 44.41 H new ATOM 188 N VAL A 13 18.195 -4.218 -12.624 1.00 22.35 N ATOM 189 CA VAL A 13 17.320 -3.278 -13.312 1.00 53.51 C ATOM 190 C VAL A 13 16.546 -3.965 -14.431 1.00 60.14 C ATOM 191 O VAL A 13 16.909 -5.056 -14.872 1.00 42.01 O ATOM 192 CB VAL A 13 18.116 -2.099 -13.902 1.00 50.44 C ATOM 193 CG1 VAL A 13 18.923 -1.403 -12.817 1.00 45.13 C ATOM 194 CG2 VAL A 13 19.021 -2.578 -15.027 1.00 51.35 C ATOM 0 H VAL A 13 19.191 -4.031 -12.743 1.00 22.35 H new ATOM 0 HA VAL A 13 16.618 -2.898 -12.570 1.00 53.51 H new ATOM 0 HB VAL A 13 17.411 -1.378 -14.315 1.00 50.44 H new ATOM 0 HG11 VAL A 13 19.479 -0.573 -13.253 1.00 45.13 H new ATOM 0 HG12 VAL A 13 18.249 -1.025 -12.048 1.00 45.13 H new ATOM 0 HG13 VAL A 13 19.620 -2.112 -12.371 1.00 45.13 H new ATOM 0 HG21 VAL A 13 19.576 -1.732 -15.433 1.00 51.35 H new ATOM 0 HG22 VAL A 13 19.720 -3.319 -14.641 1.00 51.35 H new ATOM 0 HG23 VAL A 13 18.416 -3.026 -15.815 1.00 51.35 H new ATOM 204 N TYR A 14 15.478 -3.320 -14.888 1.00 22.14 N ATOM 205 CA TYR A 14 14.651 -3.870 -15.955 1.00 62.30 C ATOM 206 C TYR A 14 14.511 -2.875 -17.103 1.00 72.52 C ATOM 207 O TYR A 14 13.710 -1.944 -17.036 1.00 42.52 O ATOM 208 CB TYR A 14 13.269 -4.243 -15.417 1.00 32.41 C ATOM 209 CG TYR A 14 12.843 -5.651 -15.767 1.00 33.44 C ATOM 210 CD1 TYR A 14 13.077 -6.175 -17.032 1.00 45.01 C ATOM 211 CD2 TYR A 14 12.205 -6.458 -14.832 1.00 54.42 C ATOM 212 CE1 TYR A 14 12.689 -7.461 -17.356 1.00 44.45 C ATOM 213 CE2 TYR A 14 11.814 -7.745 -15.147 1.00 44.33 C ATOM 214 CZ TYR A 14 12.059 -8.242 -16.411 1.00 13.44 C ATOM 215 OH TYR A 14 11.670 -9.523 -16.729 1.00 2.22 O ATOM 0 H TYR A 14 15.165 -2.415 -14.536 1.00 22.14 H new ATOM 0 HA TYR A 14 15.140 -4.768 -16.334 1.00 62.30 H new ATOM 0 HB2 TYR A 14 13.268 -4.131 -14.333 1.00 32.41 H new ATOM 0 HB3 TYR A 14 12.534 -3.541 -15.811 1.00 32.41 H new ATOM 0 HD1 TYR A 14 13.571 -5.567 -17.775 1.00 45.01 H new ATOM 0 HD2 TYR A 14 12.012 -6.072 -13.842 1.00 54.42 H new ATOM 0 HE1 TYR A 14 12.878 -7.852 -18.345 1.00 44.45 H new ATOM 0 HE2 TYR A 14 11.320 -8.359 -14.408 1.00 44.33 H new ATOM 0 HH TYR A 14 11.242 -9.937 -15.951 1.00 2.22 H new ATOM 225 N GLU A 15 15.296 -3.082 -18.156 1.00 74.41 N ATOM 226 CA GLU A 15 15.259 -2.204 -19.319 1.00 42.14 C ATOM 227 C GLU A 15 13.862 -2.170 -19.933 1.00 22.55 C ATOM 228 O GLU A 15 13.126 -3.156 -19.882 1.00 14.05 O ATOM 229 CB GLU A 15 16.276 -2.664 -20.366 1.00 25.13 C ATOM 230 CG GLU A 15 16.059 -4.091 -20.840 1.00 33.10 C ATOM 231 CD GLU A 15 17.160 -4.573 -21.765 1.00 14.03 C ATOM 232 OE1 GLU A 15 17.962 -3.732 -22.221 1.00 71.35 O ATOM 233 OE2 GLU A 15 17.219 -5.792 -22.031 1.00 54.20 O ATOM 0 H GLU A 15 15.964 -3.849 -18.227 1.00 74.41 H new ATOM 0 HA GLU A 15 15.517 -1.198 -18.989 1.00 42.14 H new ATOM 0 HB2 GLU A 15 16.229 -1.994 -21.224 1.00 25.13 H new ATOM 0 HB3 GLU A 15 17.279 -2.577 -19.948 1.00 25.13 H new ATOM 0 HG2 GLU A 15 16.001 -4.752 -19.975 1.00 33.10 H new ATOM 0 HG3 GLU A 15 15.101 -4.157 -21.356 1.00 33.10 H new ATOM 240 N CYS A 16 13.504 -1.029 -20.512 1.00 31.53 N ATOM 241 CA CYS A 16 12.196 -0.865 -21.134 1.00 71.01 C ATOM 242 C CYS A 16 12.313 -0.106 -22.453 1.00 15.23 C ATOM 243 O CYS A 16 13.307 0.574 -22.704 1.00 14.01 O ATOM 244 CB CYS A 16 11.247 -0.125 -20.189 1.00 5.11 C ATOM 245 SG CYS A 16 9.705 -1.024 -19.829 1.00 31.53 S ATOM 0 H CYS A 16 14.102 -0.204 -20.563 1.00 31.53 H new ATOM 0 HA CYS A 16 11.792 -1.856 -21.340 1.00 71.01 H new ATOM 0 HB2 CYS A 16 11.767 0.073 -19.252 1.00 5.11 H new ATOM 0 HB3 CYS A 16 10.998 0.842 -20.626 1.00 5.11 H new ATOM 250 N GLY A 17 11.288 -0.227 -23.292 1.00 22.22 N ATOM 251 CA GLY A 17 11.295 0.453 -24.574 1.00 21.30 C ATOM 252 C GLY A 17 11.526 -0.497 -25.733 1.00 22.05 C ATOM 253 O GLY A 17 11.096 -0.233 -26.856 1.00 11.44 O ATOM 0 H GLY A 17 10.454 -0.784 -23.107 1.00 22.22 H new ATOM 0 HA2 GLY A 17 10.344 0.968 -24.714 1.00 21.30 H new ATOM 0 HA3 GLY A 17 12.073 1.216 -24.573 1.00 21.30 H new ATOM 257 N ILE A 18 12.208 -1.604 -25.461 1.00 23.43 N ATOM 258 CA ILE A 18 12.496 -2.596 -26.490 1.00 0.22 C ATOM 259 C ILE A 18 11.344 -3.584 -26.639 1.00 51.51 C ATOM 260 O ILE A 18 11.056 -4.058 -27.739 1.00 15.45 O ATOM 261 CB ILE A 18 13.787 -3.374 -26.176 1.00 64.23 C ATOM 262 CG1 ILE A 18 14.105 -4.354 -27.307 1.00 63.43 C ATOM 263 CG2 ILE A 18 13.654 -4.111 -24.852 1.00 15.32 C ATOM 264 CD1 ILE A 18 15.560 -4.346 -27.724 1.00 14.44 C ATOM 0 H ILE A 18 12.572 -1.837 -24.537 1.00 23.43 H new ATOM 0 HA ILE A 18 12.628 -2.052 -27.425 1.00 0.22 H new ATOM 0 HB ILE A 18 14.610 -2.664 -26.093 1.00 64.23 H new ATOM 0 HG12 ILE A 18 13.832 -5.361 -26.992 1.00 63.43 H new ATOM 0 HG13 ILE A 18 13.487 -4.112 -28.171 1.00 63.43 H new ATOM 0 HG21 ILE A 18 14.575 -4.656 -24.645 1.00 15.32 H new ATOM 0 HG22 ILE A 18 13.470 -3.393 -24.053 1.00 15.32 H new ATOM 0 HG23 ILE A 18 12.822 -4.813 -24.908 1.00 15.32 H new ATOM 0 HD11 ILE A 18 15.712 -5.065 -28.529 1.00 14.44 H new ATOM 0 HD12 ILE A 18 15.834 -3.349 -28.071 1.00 14.44 H new ATOM 0 HD13 ILE A 18 16.184 -4.618 -26.873 1.00 14.44 H new ATOM 276 N THR A 19 10.686 -3.889 -25.525 1.00 73.52 N ATOM 277 CA THR A 19 9.564 -4.820 -25.531 1.00 61.13 C ATOM 278 C THR A 19 8.323 -4.190 -24.910 1.00 2.33 C ATOM 279 O THR A 19 7.203 -4.433 -25.357 1.00 12.00 O ATOM 280 CB THR A 19 9.904 -6.115 -24.770 1.00 25.03 C ATOM 281 OG1 THR A 19 11.142 -5.959 -24.066 1.00 51.22 O ATOM 282 CG2 THR A 19 10.004 -7.295 -25.725 1.00 51.42 C ATOM 0 H THR A 19 10.911 -3.505 -24.607 1.00 73.52 H new ATOM 0 HA THR A 19 9.361 -5.063 -26.574 1.00 61.13 H new ATOM 0 HB THR A 19 9.103 -6.312 -24.058 1.00 25.03 H new ATOM 0 HG1 THR A 19 11.350 -6.786 -23.583 1.00 51.22 H new ATOM 0 HG21 THR A 19 10.245 -8.198 -25.164 1.00 51.42 H new ATOM 0 HG22 THR A 19 9.052 -7.430 -26.238 1.00 51.42 H new ATOM 0 HG23 THR A 19 10.787 -7.104 -26.459 1.00 51.42 H new ATOM 290 N GLN A 20 8.531 -3.379 -23.877 1.00 50.23 N ATOM 291 CA GLN A 20 7.427 -2.714 -23.195 1.00 4.41 C ATOM 292 C GLN A 20 6.478 -3.733 -22.574 1.00 53.20 C ATOM 293 O GLN A 20 5.660 -4.337 -23.268 1.00 63.42 O ATOM 294 CB GLN A 20 6.664 -1.816 -24.170 1.00 2.51 C ATOM 295 CG GLN A 20 5.883 -0.703 -23.489 1.00 24.23 C ATOM 296 CD GLN A 20 4.685 -0.250 -24.299 1.00 62.14 C ATOM 297 OE1 GLN A 20 4.827 0.219 -25.429 1.00 0.51 O ATOM 298 NE2 GLN A 20 3.495 -0.389 -23.726 1.00 45.03 N ATOM 0 H GLN A 20 9.453 -3.167 -23.495 1.00 50.23 H new ATOM 0 HA GLN A 20 7.843 -2.100 -22.397 1.00 4.41 H new ATOM 0 HB2 GLN A 20 7.370 -1.375 -24.873 1.00 2.51 H new ATOM 0 HB3 GLN A 20 5.975 -2.428 -24.752 1.00 2.51 H new ATOM 0 HG2 GLN A 20 5.546 -1.047 -22.511 1.00 24.23 H new ATOM 0 HG3 GLN A 20 6.544 0.147 -23.318 1.00 24.23 H new ATOM 0 HE21 GLN A 20 3.424 -0.783 -22.788 1.00 45.03 H new ATOM 0 HE22 GLN A 20 2.652 -0.102 -24.224 1.00 45.03 H new ATOM 307 N ASP A 21 6.592 -3.918 -21.264 1.00 33.34 N ATOM 308 CA ASP A 21 5.743 -4.864 -20.549 1.00 35.13 C ATOM 309 C ASP A 21 5.761 -4.585 -19.049 1.00 61.10 C ATOM 310 O ASP A 21 5.539 -5.484 -18.237 1.00 3.53 O ATOM 311 CB ASP A 21 6.200 -6.298 -20.819 1.00 21.32 C ATOM 312 CG ASP A 21 5.039 -7.268 -20.917 1.00 53.24 C ATOM 313 OD1 ASP A 21 4.065 -6.955 -21.634 1.00 20.41 O ATOM 314 OD2 ASP A 21 5.103 -8.338 -20.277 1.00 61.44 O ATOM 0 H ASP A 21 7.264 -3.426 -20.675 1.00 33.34 H new ATOM 0 HA ASP A 21 4.722 -4.742 -20.911 1.00 35.13 H new ATOM 0 HB2 ASP A 21 6.771 -6.325 -21.747 1.00 21.32 H new ATOM 0 HB3 ASP A 21 6.871 -6.618 -20.022 1.00 21.32 H new ATOM 319 N CYS A 22 6.028 -3.334 -18.688 1.00 62.34 N ATOM 320 CA CYS A 22 6.078 -2.936 -17.287 1.00 33.01 C ATOM 321 C CYS A 22 4.699 -3.043 -16.642 1.00 53.41 C ATOM 322 O CYS A 22 4.540 -3.664 -15.592 1.00 54.04 O ATOM 323 CB CYS A 22 6.603 -1.505 -17.160 1.00 51.40 C ATOM 324 SG CYS A 22 8.127 -1.185 -18.105 1.00 61.42 S ATOM 0 H CYS A 22 6.213 -2.578 -19.348 1.00 62.34 H new ATOM 0 HA CYS A 22 6.757 -3.612 -16.767 1.00 33.01 H new ATOM 0 HB2 CYS A 22 5.829 -0.814 -17.495 1.00 51.40 H new ATOM 0 HB3 CYS A 22 6.789 -1.290 -16.108 1.00 51.40 H new ATOM 329 N ASN A 23 3.705 -2.432 -17.279 1.00 50.21 N ATOM 330 CA ASN A 23 2.339 -2.457 -16.768 1.00 23.51 C ATOM 331 C ASN A 23 1.878 -3.891 -16.522 1.00 14.55 C ATOM 332 O ASN A 23 1.234 -4.183 -15.513 1.00 41.14 O ATOM 333 CB ASN A 23 1.392 -1.766 -17.750 1.00 72.35 C ATOM 334 CG ASN A 23 0.266 -1.032 -17.048 1.00 51.04 C ATOM 335 OD1 ASN A 23 -0.057 0.106 -17.391 1.00 23.30 O ATOM 336 ND2 ASN A 23 -0.338 -1.681 -16.060 1.00 21.31 N ATOM 0 H ASN A 23 3.820 -1.914 -18.150 1.00 50.21 H new ATOM 0 HA ASN A 23 2.322 -1.920 -15.820 1.00 23.51 H new ATOM 0 HB2 ASN A 23 1.957 -1.061 -18.360 1.00 72.35 H new ATOM 0 HB3 ASN A 23 0.971 -2.508 -18.428 1.00 72.35 H new ATOM 0 HD21 ASN A 23 -1.103 -1.238 -15.551 1.00 21.31 H new ATOM 0 HD22 ASN A 23 -0.037 -2.623 -15.810 1.00 21.31 H new ATOM 343 N LYS A 24 2.211 -4.781 -17.449 1.00 61.51 N ATOM 344 CA LYS A 24 1.833 -6.185 -17.334 1.00 24.05 C ATOM 345 C LYS A 24 2.541 -6.843 -16.153 1.00 71.44 C ATOM 346 O LYS A 24 1.900 -7.440 -15.287 1.00 4.03 O ATOM 347 CB LYS A 24 2.170 -6.933 -18.625 1.00 72.15 C ATOM 348 CG LYS A 24 1.317 -8.169 -18.852 1.00 72.14 C ATOM 349 CD LYS A 24 2.173 -9.403 -19.083 1.00 21.12 C ATOM 350 CE LYS A 24 2.892 -9.828 -17.812 1.00 5.53 C ATOM 351 NZ LYS A 24 3.382 -11.232 -17.894 1.00 12.42 N ATOM 0 H LYS A 24 2.743 -4.555 -18.290 1.00 61.51 H new ATOM 0 HA LYS A 24 0.757 -6.233 -17.164 1.00 24.05 H new ATOM 0 HB2 LYS A 24 2.046 -6.256 -19.470 1.00 72.15 H new ATOM 0 HB3 LYS A 24 3.220 -7.225 -18.602 1.00 72.15 H new ATOM 0 HG2 LYS A 24 0.671 -8.330 -17.989 1.00 72.14 H new ATOM 0 HG3 LYS A 24 0.666 -8.010 -19.712 1.00 72.14 H new ATOM 0 HD2 LYS A 24 1.546 -10.221 -19.438 1.00 21.12 H new ATOM 0 HD3 LYS A 24 2.904 -9.199 -19.865 1.00 21.12 H new ATOM 0 HE2 LYS A 24 3.734 -9.160 -17.630 1.00 5.53 H new ATOM 0 HE3 LYS A 24 2.217 -9.728 -16.962 1.00 5.53 H new ATOM 0 HZ1 LYS A 24 3.866 -11.483 -17.008 1.00 12.42 H new ATOM 0 HZ2 LYS A 24 2.576 -11.873 -18.042 1.00 12.42 H new ATOM 0 HZ3 LYS A 24 4.046 -11.322 -18.689 1.00 12.42 H new ATOM 365 N LEU A 25 3.864 -6.730 -16.125 1.00 21.40 N ATOM 366 CA LEU A 25 4.659 -7.314 -15.050 1.00 11.54 C ATOM 367 C LEU A 25 4.203 -6.792 -13.691 1.00 14.02 C ATOM 368 O LEU A 25 4.085 -7.553 -12.730 1.00 14.54 O ATOM 369 CB LEU A 25 6.142 -7.000 -15.257 1.00 73.22 C ATOM 370 CG LEU A 25 7.127 -7.868 -14.473 1.00 42.33 C ATOM 371 CD1 LEU A 25 7.178 -9.273 -15.051 1.00 72.53 C ATOM 372 CD2 LEU A 25 8.512 -7.237 -14.477 1.00 22.53 C ATOM 0 H LEU A 25 4.409 -6.240 -16.834 1.00 21.40 H new ATOM 0 HA LEU A 25 4.516 -8.394 -15.071 1.00 11.54 H new ATOM 0 HB2 LEU A 25 6.369 -7.097 -16.319 1.00 73.22 H new ATOM 0 HB3 LEU A 25 6.313 -5.958 -14.988 1.00 73.22 H new ATOM 0 HG LEU A 25 6.782 -7.935 -13.441 1.00 42.33 H new ATOM 0 HD11 LEU A 25 7.884 -9.876 -14.480 1.00 72.53 H new ATOM 0 HD12 LEU A 25 6.188 -9.725 -14.996 1.00 72.53 H new ATOM 0 HD13 LEU A 25 7.499 -9.227 -16.092 1.00 72.53 H new ATOM 0 HD21 LEU A 25 9.201 -7.868 -13.915 1.00 22.53 H new ATOM 0 HD22 LEU A 25 8.865 -7.140 -15.504 1.00 22.53 H new ATOM 0 HD23 LEU A 25 8.464 -6.251 -14.015 1.00 22.53 H new ATOM 384 N CYS A 26 3.945 -5.490 -13.618 1.00 62.45 N ATOM 385 CA CYS A 26 3.500 -4.866 -12.379 1.00 32.24 C ATOM 386 C CYS A 26 2.174 -5.463 -11.915 1.00 51.30 C ATOM 387 O CYS A 26 2.056 -5.944 -10.787 1.00 44.44 O ATOM 388 CB CYS A 26 3.353 -3.355 -12.568 1.00 24.02 C ATOM 389 SG CYS A 26 4.081 -2.363 -11.224 1.00 62.50 S ATOM 0 H CYS A 26 4.037 -4.847 -14.404 1.00 62.45 H new ATOM 0 HA CYS A 26 4.253 -5.058 -11.614 1.00 32.24 H new ATOM 0 HB2 CYS A 26 3.821 -3.070 -13.510 1.00 24.02 H new ATOM 0 HB3 CYS A 26 2.294 -3.111 -12.652 1.00 24.02 H new ATOM 394 N THR A 27 1.176 -5.428 -12.793 1.00 65.24 N ATOM 395 CA THR A 27 -0.141 -5.964 -12.475 1.00 50.11 C ATOM 396 C THR A 27 -0.047 -7.410 -12.003 1.00 31.24 C ATOM 397 O THR A 27 -0.555 -7.758 -10.938 1.00 34.45 O ATOM 398 CB THR A 27 -1.085 -5.893 -13.690 1.00 62.14 C ATOM 399 OG1 THR A 27 -0.507 -6.590 -14.800 1.00 55.23 O ATOM 400 CG2 THR A 27 -1.359 -4.448 -14.079 1.00 60.22 C ATOM 0 H THR A 27 1.256 -5.034 -13.730 1.00 65.24 H new ATOM 0 HA THR A 27 -0.547 -5.348 -11.672 1.00 50.11 H new ATOM 0 HB THR A 27 -2.029 -6.364 -13.417 1.00 62.14 H new ATOM 0 HG1 THR A 27 0.467 -6.482 -14.783 1.00 55.23 H new ATOM 0 HG21 THR A 27 -2.028 -4.423 -14.939 1.00 60.22 H new ATOM 0 HG22 THR A 27 -1.825 -3.928 -13.242 1.00 60.22 H new ATOM 0 HG23 THR A 27 -0.421 -3.956 -14.335 1.00 60.22 H new ATOM 408 N GLU A 28 0.607 -8.248 -12.802 1.00 12.35 N ATOM 409 CA GLU A 28 0.766 -9.657 -12.463 1.00 65.13 C ATOM 410 C GLU A 28 1.397 -9.817 -11.083 1.00 63.20 C ATOM 411 O GLU A 28 0.972 -10.654 -10.288 1.00 60.21 O ATOM 412 CB GLU A 28 1.626 -10.362 -13.514 1.00 64.41 C ATOM 413 CG GLU A 28 0.877 -11.426 -14.300 1.00 4.34 C ATOM 414 CD GLU A 28 0.630 -12.684 -13.490 1.00 3.43 C ATOM 415 OE1 GLU A 28 -0.191 -12.632 -12.550 1.00 51.23 O ATOM 416 OE2 GLU A 28 1.258 -13.719 -13.795 1.00 32.24 O ATOM 0 H GLU A 28 1.035 -7.976 -13.687 1.00 12.35 H new ATOM 0 HA GLU A 28 -0.223 -10.115 -12.446 1.00 65.13 H new ATOM 0 HB2 GLU A 28 2.019 -9.619 -14.208 1.00 64.41 H new ATOM 0 HB3 GLU A 28 2.483 -10.822 -13.021 1.00 64.41 H new ATOM 0 HG2 GLU A 28 -0.078 -11.020 -14.635 1.00 4.34 H new ATOM 0 HG3 GLU A 28 1.446 -11.680 -15.194 1.00 4.34 H new ATOM 423 N ASN A 29 2.415 -9.008 -10.807 1.00 22.43 N ATOM 424 CA ASN A 29 3.106 -9.061 -9.523 1.00 42.55 C ATOM 425 C ASN A 29 2.156 -8.718 -8.380 1.00 22.12 C ATOM 426 O ASN A 29 2.376 -9.115 -7.236 1.00 60.13 O ATOM 427 CB ASN A 29 4.294 -8.096 -9.521 1.00 20.12 C ATOM 428 CG ASN A 29 5.615 -8.806 -9.744 1.00 5.13 C ATOM 429 OD1 ASN A 29 6.312 -9.159 -8.792 1.00 15.04 O ATOM 430 ND2 ASN A 29 5.967 -9.018 -11.006 1.00 44.15 N ATOM 0 H ASN A 29 2.779 -8.309 -11.454 1.00 22.43 H new ATOM 0 HA ASN A 29 3.471 -10.077 -9.376 1.00 42.55 H new ATOM 0 HB2 ASN A 29 4.151 -7.347 -10.300 1.00 20.12 H new ATOM 0 HB3 ASN A 29 4.326 -7.565 -8.570 1.00 20.12 H new ATOM 0 HD21 ASN A 29 6.846 -9.490 -11.218 1.00 44.15 H new ATOM 0 HD22 ASN A 29 5.359 -8.709 -11.764 1.00 44.15 H new ATOM 437 N GLY A 30 1.098 -7.978 -8.698 1.00 21.23 N ATOM 438 CA GLY A 30 0.130 -7.595 -7.687 1.00 21.13 C ATOM 439 C GLY A 30 0.273 -6.146 -7.266 1.00 44.24 C ATOM 440 O GLY A 30 -0.105 -5.774 -6.156 1.00 24.42 O ATOM 0 H GLY A 30 0.894 -7.637 -9.637 1.00 21.23 H new ATOM 0 HA2 GLY A 30 -0.877 -7.761 -8.071 1.00 21.13 H new ATOM 0 HA3 GLY A 30 0.248 -8.237 -6.814 1.00 21.13 H new ATOM 444 N ALA A 31 0.823 -5.325 -8.156 1.00 15.03 N ATOM 445 CA ALA A 31 1.015 -3.908 -7.871 1.00 73.42 C ATOM 446 C ALA A 31 -0.184 -3.088 -8.334 1.00 53.14 C ATOM 447 O ALA A 31 -1.149 -3.631 -8.871 1.00 71.20 O ATOM 448 CB ALA A 31 2.289 -3.405 -8.533 1.00 73.14 C ATOM 0 H ALA A 31 1.143 -5.617 -9.079 1.00 15.03 H new ATOM 0 HA ALA A 31 1.108 -3.789 -6.792 1.00 73.42 H new ATOM 0 HB1 ALA A 31 2.420 -2.346 -8.312 1.00 73.14 H new ATOM 0 HB2 ALA A 31 3.143 -3.964 -8.150 1.00 73.14 H new ATOM 0 HB3 ALA A 31 2.218 -3.545 -9.612 1.00 73.14 H new ATOM 454 N GLU A 32 -0.116 -1.777 -8.122 1.00 72.24 N ATOM 455 CA GLU A 32 -1.198 -0.883 -8.518 1.00 10.05 C ATOM 456 C GLU A 32 -1.066 -0.484 -9.984 1.00 44.34 C ATOM 457 O GLU A 32 -1.906 -0.834 -10.813 1.00 32.25 O ATOM 458 CB GLU A 32 -1.204 0.368 -7.636 1.00 23.53 C ATOM 459 CG GLU A 32 -2.497 1.161 -7.713 1.00 32.11 C ATOM 460 CD GLU A 32 -2.260 2.652 -7.851 1.00 4.23 C ATOM 461 OE1 GLU A 32 -1.323 3.039 -8.580 1.00 10.50 O ATOM 462 OE2 GLU A 32 -3.011 3.432 -7.229 1.00 33.03 O ATOM 0 H GLU A 32 0.676 -1.311 -7.679 1.00 72.24 H new ATOM 0 HA GLU A 32 -2.140 -1.415 -8.388 1.00 10.05 H new ATOM 0 HB2 GLU A 32 -1.030 0.073 -6.601 1.00 23.53 H new ATOM 0 HB3 GLU A 32 -0.375 1.012 -7.928 1.00 23.53 H new ATOM 0 HG2 GLU A 32 -3.084 0.810 -8.562 1.00 32.11 H new ATOM 0 HG3 GLU A 32 -3.088 0.972 -6.817 1.00 32.11 H new ATOM 469 N SER A 33 -0.004 0.252 -10.298 1.00 11.43 N ATOM 470 CA SER A 33 0.237 0.704 -11.663 1.00 60.22 C ATOM 471 C SER A 33 1.684 0.448 -12.072 1.00 63.44 C ATOM 472 O SER A 33 2.569 0.329 -11.226 1.00 0.53 O ATOM 473 CB SER A 33 -0.086 2.193 -11.795 1.00 52.31 C ATOM 474 OG SER A 33 -1.238 2.396 -12.595 1.00 51.41 O ATOM 0 H SER A 33 0.703 0.548 -9.625 1.00 11.43 H new ATOM 0 HA SER A 33 -0.416 0.138 -12.327 1.00 60.22 H new ATOM 0 HB2 SER A 33 -0.246 2.623 -10.806 1.00 52.31 H new ATOM 0 HB3 SER A 33 0.763 2.715 -12.236 1.00 52.31 H new ATOM 0 HG SER A 33 -1.424 3.356 -12.663 1.00 51.41 H new ATOM 480 N GLY A 34 1.917 0.363 -13.379 1.00 24.23 N ATOM 481 CA GLY A 34 3.258 0.121 -13.879 1.00 0.01 C ATOM 482 C GLY A 34 3.420 0.536 -15.328 1.00 31.22 C ATOM 483 O GLY A 34 2.507 0.364 -16.136 1.00 33.13 O ATOM 0 H GLY A 34 1.201 0.457 -14.100 1.00 24.23 H new ATOM 0 HA2 GLY A 34 3.975 0.667 -13.266 1.00 0.01 H new ATOM 0 HA3 GLY A 34 3.494 -0.938 -13.779 1.00 0.01 H new ATOM 487 N TYR A 35 4.584 1.085 -15.658 1.00 35.22 N ATOM 488 CA TYR A 35 4.860 1.529 -17.019 1.00 3.44 C ATOM 489 C TYR A 35 6.361 1.679 -17.248 1.00 62.32 C ATOM 490 O TYR A 35 7.163 1.493 -16.332 1.00 61.24 O ATOM 491 CB TYR A 35 4.156 2.858 -17.296 1.00 50.55 C ATOM 492 CG TYR A 35 4.315 3.872 -16.186 1.00 45.10 C ATOM 493 CD1 TYR A 35 5.549 4.454 -15.922 1.00 65.01 C ATOM 494 CD2 TYR A 35 3.233 4.247 -15.400 1.00 50.31 C ATOM 495 CE1 TYR A 35 5.700 5.380 -14.908 1.00 43.11 C ATOM 496 CE2 TYR A 35 3.374 5.174 -14.385 1.00 62.41 C ATOM 497 CZ TYR A 35 4.610 5.737 -14.143 1.00 33.02 C ATOM 498 OH TYR A 35 4.755 6.659 -13.132 1.00 12.03 O ATOM 0 H TYR A 35 5.351 1.233 -15.002 1.00 35.22 H new ATOM 0 HA TYR A 35 4.479 0.773 -17.706 1.00 3.44 H new ATOM 0 HB2 TYR A 35 4.548 3.281 -18.221 1.00 50.55 H new ATOM 0 HB3 TYR A 35 3.094 2.670 -17.456 1.00 50.55 H new ATOM 0 HD1 TYR A 35 6.405 4.178 -16.520 1.00 65.01 H new ATOM 0 HD2 TYR A 35 2.265 3.806 -15.585 1.00 50.31 H new ATOM 0 HE1 TYR A 35 6.667 5.822 -14.716 1.00 43.11 H new ATOM 0 HE2 TYR A 35 2.522 5.456 -13.785 1.00 62.41 H new ATOM 0 HH TYR A 35 5.382 6.314 -12.462 1.00 12.03 H new ATOM 508 N CYS A 36 6.734 2.016 -18.478 1.00 41.31 N ATOM 509 CA CYS A 36 8.138 2.192 -18.831 1.00 73.41 C ATOM 510 C CYS A 36 8.569 3.643 -18.644 1.00 14.44 C ATOM 511 O CYS A 36 8.064 4.542 -19.316 1.00 42.12 O ATOM 512 CB CYS A 36 8.379 1.759 -20.279 1.00 11.51 C ATOM 513 SG CYS A 36 8.158 -0.025 -20.569 1.00 21.43 S ATOM 0 H CYS A 36 6.083 2.173 -19.248 1.00 41.31 H new ATOM 0 HA CYS A 36 8.735 1.567 -18.167 1.00 73.41 H new ATOM 0 HB2 CYS A 36 7.699 2.309 -20.929 1.00 11.51 H new ATOM 0 HB3 CYS A 36 9.392 2.040 -20.567 1.00 11.51 H new ATOM 518 N GLN A 37 9.504 3.863 -17.725 1.00 41.24 N ATOM 519 CA GLN A 37 10.002 5.205 -17.449 1.00 43.53 C ATOM 520 C GLN A 37 11.215 5.525 -18.317 1.00 4.02 C ATOM 521 O GLN A 37 12.352 5.241 -17.940 1.00 22.52 O ATOM 522 CB GLN A 37 10.368 5.342 -15.970 1.00 52.53 C ATOM 523 CG GLN A 37 9.481 6.317 -15.212 1.00 60.02 C ATOM 524 CD GLN A 37 9.869 7.763 -15.447 1.00 4.40 C ATOM 525 OE1 GLN A 37 9.608 8.323 -16.512 1.00 1.50 O ATOM 526 NE2 GLN A 37 10.497 8.377 -14.451 1.00 2.33 N ATOM 0 H GLN A 37 9.931 3.130 -17.160 1.00 41.24 H new ATOM 0 HA GLN A 37 9.210 5.915 -17.687 1.00 43.53 H new ATOM 0 HB2 GLN A 37 10.305 4.362 -15.496 1.00 52.53 H new ATOM 0 HB3 GLN A 37 11.405 5.669 -15.889 1.00 52.53 H new ATOM 0 HG2 GLN A 37 8.444 6.169 -15.514 1.00 60.02 H new ATOM 0 HG3 GLN A 37 9.536 6.099 -14.146 1.00 60.02 H new ATOM 0 HE21 GLN A 37 10.693 7.875 -13.585 1.00 2.33 H new ATOM 0 HE22 GLN A 37 10.783 9.351 -14.552 1.00 2.33 H new ATOM 535 N TRP A 38 10.966 6.117 -19.479 1.00 75.21 N ATOM 536 CA TRP A 38 12.038 6.475 -20.401 1.00 21.45 C ATOM 537 C TRP A 38 12.631 7.834 -20.045 1.00 33.53 C ATOM 538 O TRP A 38 12.235 8.858 -20.599 1.00 12.24 O ATOM 539 CB TRP A 38 11.518 6.492 -21.839 1.00 20.12 C ATOM 540 CG TRP A 38 11.918 5.283 -22.630 1.00 10.23 C ATOM 541 CD1 TRP A 38 12.186 4.036 -22.142 1.00 1.25 C ATOM 542 CD2 TRP A 38 12.097 5.208 -24.048 1.00 73.12 C ATOM 543 NE1 TRP A 38 12.521 3.190 -23.171 1.00 52.22 N ATOM 544 CE2 TRP A 38 12.472 3.884 -24.351 1.00 45.50 C ATOM 545 CE3 TRP A 38 11.974 6.129 -25.092 1.00 71.31 C ATOM 546 CZ2 TRP A 38 12.727 3.463 -25.653 1.00 71.23 C ATOM 547 CZ3 TRP A 38 12.227 5.709 -26.384 1.00 61.40 C ATOM 548 CH2 TRP A 38 12.599 4.385 -26.656 1.00 2.41 C ATOM 0 H TRP A 38 10.031 6.360 -19.806 1.00 75.21 H new ATOM 0 HA TRP A 38 12.823 5.724 -20.315 1.00 21.45 H new ATOM 0 HB2 TRP A 38 10.430 6.564 -21.824 1.00 20.12 H new ATOM 0 HB3 TRP A 38 11.889 7.385 -22.341 1.00 20.12 H new ATOM 0 HD1 TRP A 38 12.141 3.756 -21.100 1.00 1.25 H new ATOM 0 HE1 TRP A 38 12.766 2.205 -23.072 1.00 52.22 H new ATOM 0 HE3 TRP A 38 11.686 7.151 -24.893 1.00 71.31 H new ATOM 0 HZ2 TRP A 38 13.016 2.444 -25.864 1.00 71.23 H new ATOM 0 HZ3 TRP A 38 12.137 6.413 -27.198 1.00 61.40 H new ATOM 0 HH2 TRP A 38 12.788 4.087 -27.677 1.00 2.41 H new ATOM 559 N GLY A 39 13.583 7.835 -19.116 1.00 72.24 N ATOM 560 CA GLY A 39 14.214 9.074 -18.703 1.00 44.33 C ATOM 561 C GLY A 39 14.364 9.175 -17.198 1.00 44.03 C ATOM 562 O GLY A 39 13.641 9.925 -16.544 1.00 61.21 O ATOM 0 H GLY A 39 13.928 7.000 -18.643 1.00 72.24 H new ATOM 0 HA2 GLY A 39 15.196 9.151 -19.169 1.00 44.33 H new ATOM 0 HA3 GLY A 39 13.624 9.916 -19.064 1.00 44.33 H new ATOM 566 N GLY A 40 15.306 8.416 -16.647 1.00 23.43 N ATOM 567 CA GLY A 40 15.530 8.436 -15.213 1.00 44.10 C ATOM 568 C GLY A 40 17.003 8.383 -14.856 1.00 35.05 C ATOM 569 O GLY A 40 17.864 8.621 -15.702 1.00 41.31 O ATOM 0 H GLY A 40 15.918 7.788 -17.168 1.00 23.43 H new ATOM 0 HA2 GLY A 40 15.089 9.340 -14.792 1.00 44.10 H new ATOM 0 HA3 GLY A 40 15.018 7.589 -14.756 1.00 44.10 H new ATOM 573 N LYS A 41 17.293 8.071 -13.597 1.00 42.11 N ATOM 574 CA LYS A 41 18.671 7.988 -13.128 1.00 21.43 C ATOM 575 C LYS A 41 19.501 7.084 -14.034 1.00 32.31 C ATOM 576 O LYS A 41 20.559 7.481 -14.523 1.00 55.20 O ATOM 577 CB LYS A 41 18.711 7.462 -11.691 1.00 2.31 C ATOM 578 CG LYS A 41 19.661 8.231 -10.788 1.00 55.24 C ATOM 579 CD LYS A 41 18.922 9.263 -9.952 1.00 41.03 C ATOM 580 CE LYS A 41 19.720 10.552 -9.826 1.00 33.14 C ATOM 581 NZ LYS A 41 19.602 11.145 -8.465 1.00 2.41 N ATOM 0 H LYS A 41 16.592 7.872 -12.883 1.00 42.11 H new ATOM 0 HA LYS A 41 19.098 8.990 -13.154 1.00 21.43 H new ATOM 0 HB2 LYS A 41 17.707 7.505 -11.269 1.00 2.31 H new ATOM 0 HB3 LYS A 41 19.006 6.413 -11.705 1.00 2.31 H new ATOM 0 HG2 LYS A 41 20.183 7.535 -10.131 1.00 55.24 H new ATOM 0 HG3 LYS A 41 20.419 8.727 -11.394 1.00 55.24 H new ATOM 0 HD2 LYS A 41 17.954 9.476 -10.406 1.00 41.03 H new ATOM 0 HD3 LYS A 41 18.726 8.857 -8.960 1.00 41.03 H new ATOM 0 HE2 LYS A 41 20.769 10.353 -10.046 1.00 33.14 H new ATOM 0 HE3 LYS A 41 19.369 11.270 -10.567 1.00 33.14 H new ATOM 0 HZ1 LYS A 41 20.159 12.022 -8.419 1.00 2.41 H new ATOM 0 HZ2 LYS A 41 18.604 11.358 -8.265 1.00 2.41 H new ATOM 0 HZ3 LYS A 41 19.960 10.470 -7.760 1.00 2.41 H new ATOM 595 N TYR A 42 19.014 5.868 -14.255 1.00 31.33 N ATOM 596 CA TYR A 42 19.711 4.907 -15.102 1.00 3.43 C ATOM 597 C TYR A 42 19.165 4.939 -16.526 1.00 12.33 C ATOM 598 O TYR A 42 19.248 3.954 -17.257 1.00 63.32 O ATOM 599 CB TYR A 42 19.580 3.497 -14.525 1.00 31.14 C ATOM 600 CG TYR A 42 20.479 3.243 -13.336 1.00 31.22 C ATOM 601 CD1 TYR A 42 21.841 3.509 -13.401 1.00 63.31 C ATOM 602 CD2 TYR A 42 19.967 2.736 -12.148 1.00 13.11 C ATOM 603 CE1 TYR A 42 22.667 3.278 -12.318 1.00 32.42 C ATOM 604 CE2 TYR A 42 20.784 2.503 -11.059 1.00 45.32 C ATOM 605 CZ TYR A 42 22.134 2.775 -11.149 1.00 53.31 C ATOM 606 OH TYR A 42 22.952 2.543 -10.067 1.00 51.42 O ATOM 0 H TYR A 42 18.139 5.524 -13.859 1.00 31.33 H new ATOM 0 HA TYR A 42 20.765 5.184 -15.130 1.00 3.43 H new ATOM 0 HB2 TYR A 42 18.544 3.329 -14.229 1.00 31.14 H new ATOM 0 HB3 TYR A 42 19.810 2.771 -15.305 1.00 31.14 H new ATOM 0 HD1 TYR A 42 22.261 3.903 -14.314 1.00 63.31 H new ATOM 0 HD2 TYR A 42 18.911 2.520 -12.075 1.00 13.11 H new ATOM 0 HE1 TYR A 42 23.724 3.490 -12.386 1.00 32.42 H new ATOM 0 HE2 TYR A 42 20.369 2.110 -10.143 1.00 45.32 H new ATOM 0 HH TYR A 42 22.419 2.190 -9.324 1.00 51.42 H new ATOM 616 N GLY A 43 18.605 6.082 -16.912 1.00 71.24 N ATOM 617 CA GLY A 43 18.053 6.223 -18.247 1.00 71.11 C ATOM 618 C GLY A 43 16.686 5.582 -18.380 1.00 32.21 C ATOM 619 O GLY A 43 15.777 5.876 -17.605 1.00 1.32 O ATOM 0 H GLY A 43 18.524 6.912 -16.325 1.00 71.24 H new ATOM 0 HA2 GLY A 43 17.980 7.282 -18.497 1.00 71.11 H new ATOM 0 HA3 GLY A 43 18.734 5.771 -18.968 1.00 71.11 H new ATOM 623 N ASN A 44 16.539 4.704 -19.367 1.00 21.54 N ATOM 624 CA ASN A 44 15.272 4.021 -19.600 1.00 33.31 C ATOM 625 C ASN A 44 15.133 2.806 -18.688 1.00 34.41 C ATOM 626 O ASN A 44 15.869 1.829 -18.822 1.00 74.51 O ATOM 627 CB ASN A 44 15.163 3.589 -21.064 1.00 21.23 C ATOM 628 CG ASN A 44 16.413 2.883 -21.552 1.00 71.44 C ATOM 629 OD1 ASN A 44 16.541 1.665 -21.426 1.00 74.44 O ATOM 630 ND2 ASN A 44 17.343 3.647 -22.114 1.00 32.43 N ATOM 0 H ASN A 44 17.282 4.449 -20.018 1.00 21.54 H new ATOM 0 HA ASN A 44 14.465 4.718 -19.373 1.00 33.31 H new ATOM 0 HB2 ASN A 44 14.305 2.927 -21.182 1.00 21.23 H new ATOM 0 HB3 ASN A 44 14.977 4.465 -21.686 1.00 21.23 H new ATOM 0 HD21 ASN A 44 18.205 3.228 -22.462 1.00 32.43 H new ATOM 0 HD22 ASN A 44 17.195 4.653 -22.198 1.00 32.43 H new ATOM 637 N ALA A 45 14.183 2.874 -17.761 1.00 10.24 N ATOM 638 CA ALA A 45 13.945 1.779 -16.828 1.00 42.32 C ATOM 639 C ALA A 45 12.458 1.630 -16.524 1.00 4.50 C ATOM 640 O ALA A 45 11.700 2.598 -16.593 1.00 1.34 O ATOM 641 CB ALA A 45 14.729 2.001 -15.543 1.00 63.33 C ATOM 0 H ALA A 45 13.565 3.676 -17.636 1.00 10.24 H new ATOM 0 HA ALA A 45 14.288 0.856 -17.295 1.00 42.32 H new ATOM 0 HB1 ALA A 45 14.542 1.176 -14.856 1.00 63.33 H new ATOM 0 HB2 ALA A 45 15.794 2.050 -15.770 1.00 63.33 H new ATOM 0 HB3 ALA A 45 14.413 2.937 -15.081 1.00 63.33 H new ATOM 647 N CYS A 46 12.047 0.412 -16.188 1.00 50.42 N ATOM 648 CA CYS A 46 10.650 0.136 -15.874 1.00 64.24 C ATOM 649 C CYS A 46 10.273 0.718 -14.515 1.00 54.24 C ATOM 650 O CYS A 46 10.874 0.381 -13.496 1.00 2.54 O ATOM 651 CB CYS A 46 10.393 -1.372 -15.885 1.00 34.22 C ATOM 652 SG CYS A 46 9.721 -2.001 -17.457 1.00 44.03 S ATOM 0 H CYS A 46 12.661 -0.400 -16.126 1.00 50.42 H new ATOM 0 HA CYS A 46 10.031 0.609 -16.636 1.00 64.24 H new ATOM 0 HB2 CYS A 46 11.327 -1.890 -15.668 1.00 34.22 H new ATOM 0 HB3 CYS A 46 9.699 -1.617 -15.081 1.00 34.22 H new ATOM 657 N TRP A 47 9.273 1.592 -14.510 1.00 40.53 N ATOM 658 CA TRP A 47 8.815 2.222 -13.277 1.00 35.31 C ATOM 659 C TRP A 47 7.456 1.671 -12.857 1.00 41.03 C ATOM 660 O TRP A 47 6.638 1.300 -13.700 1.00 2.22 O ATOM 661 CB TRP A 47 8.731 3.739 -13.454 1.00 60.45 C ATOM 662 CG TRP A 47 8.122 4.442 -12.279 1.00 61.41 C ATOM 663 CD1 TRP A 47 6.791 4.574 -12.003 1.00 3.13 C ATOM 664 CD2 TRP A 47 8.822 5.110 -11.224 1.00 34.34 C ATOM 665 NE1 TRP A 47 6.621 5.284 -10.839 1.00 3.51 N ATOM 666 CE2 TRP A 47 7.852 5.624 -10.341 1.00 75.30 C ATOM 667 CE3 TRP A 47 10.173 5.322 -10.937 1.00 33.12 C ATOM 668 CZ2 TRP A 47 8.192 6.337 -9.194 1.00 71.55 C ATOM 669 CZ3 TRP A 47 10.509 6.030 -9.799 1.00 31.23 C ATOM 670 CH2 TRP A 47 9.522 6.530 -8.938 1.00 62.44 C ATOM 0 H TRP A 47 8.764 1.880 -15.346 1.00 40.53 H new ATOM 0 HA TRP A 47 9.537 1.995 -12.493 1.00 35.31 H new ATOM 0 HB2 TRP A 47 9.733 4.133 -13.625 1.00 60.45 H new ATOM 0 HB3 TRP A 47 8.144 3.962 -14.345 1.00 60.45 H new ATOM 0 HD1 TRP A 47 5.990 4.179 -12.610 1.00 3.13 H new ATOM 0 HE1 TRP A 47 5.724 5.520 -10.414 1.00 3.51 H new ATOM 0 HE3 TRP A 47 10.941 4.939 -11.593 1.00 33.12 H new ATOM 0 HZ2 TRP A 47 7.433 6.724 -8.530 1.00 71.55 H new ATOM 0 HZ3 TRP A 47 11.550 6.201 -9.569 1.00 31.23 H new ATOM 0 HH2 TRP A 47 9.817 7.078 -8.056 1.00 62.44 H new ATOM 681 N CYS A 48 7.221 1.620 -11.550 1.00 40.34 N ATOM 682 CA CYS A 48 5.961 1.115 -11.019 1.00 24.44 C ATOM 683 C CYS A 48 5.450 2.006 -9.891 1.00 0.42 C ATOM 684 O CYS A 48 6.230 2.677 -9.214 1.00 21.44 O ATOM 685 CB CYS A 48 6.136 -0.318 -10.511 1.00 64.12 C ATOM 686 SG CYS A 48 5.821 -1.596 -11.770 1.00 62.52 S ATOM 0 H CYS A 48 7.887 1.922 -10.839 1.00 40.34 H new ATOM 0 HA CYS A 48 5.227 1.122 -11.825 1.00 24.44 H new ATOM 0 HB2 CYS A 48 7.152 -0.437 -10.134 1.00 64.12 H new ATOM 0 HB3 CYS A 48 5.463 -0.479 -9.669 1.00 64.12 H new ATOM 691 N ILE A 49 4.136 2.009 -9.695 1.00 72.54 N ATOM 692 CA ILE A 49 3.521 2.816 -8.649 1.00 53.25 C ATOM 693 C ILE A 49 2.725 1.948 -7.681 1.00 24.14 C ATOM 694 O ILE A 49 1.885 1.148 -8.092 1.00 62.45 O ATOM 695 CB ILE A 49 2.589 3.890 -9.242 1.00 3.21 C ATOM 696 CG1 ILE A 49 3.357 4.777 -10.225 1.00 23.45 C ATOM 697 CG2 ILE A 49 1.975 4.729 -8.132 1.00 1.55 C ATOM 698 CD1 ILE A 49 2.461 5.578 -11.142 1.00 43.35 C ATOM 0 H ILE A 49 3.476 1.461 -10.247 1.00 72.54 H new ATOM 0 HA ILE A 49 4.332 3.306 -8.111 1.00 53.25 H new ATOM 0 HB ILE A 49 1.784 3.393 -9.783 1.00 3.21 H new ATOM 0 HG12 ILE A 49 3.994 5.461 -9.664 1.00 23.45 H new ATOM 0 HG13 ILE A 49 4.015 4.152 -10.828 1.00 23.45 H new ATOM 0 HG21 ILE A 49 1.319 5.483 -8.567 1.00 1.55 H new ATOM 0 HG22 ILE A 49 1.398 4.086 -7.467 1.00 1.55 H new ATOM 0 HG23 ILE A 49 2.767 5.219 -7.566 1.00 1.55 H new ATOM 0 HD11 ILE A 49 3.073 6.183 -11.811 1.00 43.35 H new ATOM 0 HD12 ILE A 49 1.842 4.900 -11.730 1.00 43.35 H new ATOM 0 HD13 ILE A 49 1.821 6.229 -10.547 1.00 43.35 H new ATOM 710 N LYS A 50 2.994 2.112 -6.390 1.00 5.32 N ATOM 711 CA LYS A 50 2.303 1.347 -5.360 1.00 35.51 C ATOM 712 C LYS A 50 2.594 -0.144 -5.502 1.00 73.02 C ATOM 713 O LYS A 50 1.813 -0.885 -6.102 1.00 3.04 O ATOM 714 CB LYS A 50 0.794 1.592 -5.440 1.00 1.24 C ATOM 715 CG LYS A 50 0.293 2.626 -4.446 1.00 32.42 C ATOM 716 CD LYS A 50 0.045 3.968 -5.114 1.00 24.31 C ATOM 717 CE LYS A 50 -1.037 4.757 -4.394 1.00 54.34 C ATOM 718 NZ LYS A 50 -0.976 6.209 -4.722 1.00 70.43 N ATOM 0 H LYS A 50 3.687 2.769 -6.032 1.00 5.32 H new ATOM 0 HA LYS A 50 2.669 1.680 -4.389 1.00 35.51 H new ATOM 0 HB2 LYS A 50 0.540 1.917 -6.449 1.00 1.24 H new ATOM 0 HB3 LYS A 50 0.272 0.651 -5.267 1.00 1.24 H new ATOM 0 HG2 LYS A 50 -0.629 2.272 -3.985 1.00 32.42 H new ATOM 0 HG3 LYS A 50 1.023 2.746 -3.646 1.00 32.42 H new ATOM 0 HD2 LYS A 50 0.970 4.545 -5.128 1.00 24.31 H new ATOM 0 HD3 LYS A 50 -0.248 3.810 -6.152 1.00 24.31 H new ATOM 0 HE2 LYS A 50 -2.016 4.364 -4.667 1.00 54.34 H new ATOM 0 HE3 LYS A 50 -0.929 4.623 -3.318 1.00 54.34 H new ATOM 0 HZ1 LYS A 50 -1.730 6.712 -4.212 1.00 70.43 H new ATOM 0 HZ2 LYS A 50 -0.051 6.591 -4.438 1.00 70.43 H new ATOM 0 HZ3 LYS A 50 -1.105 6.339 -5.746 1.00 70.43 H new ATOM 732 N LEU A 51 3.720 -0.578 -4.947 1.00 12.31 N ATOM 733 CA LEU A 51 4.113 -1.981 -5.011 1.00 3.04 C ATOM 734 C LEU A 51 4.275 -2.565 -3.611 1.00 23.21 C ATOM 735 O LEU A 51 4.791 -1.920 -2.698 1.00 13.41 O ATOM 736 CB LEU A 51 5.420 -2.130 -5.792 1.00 51.30 C ATOM 737 CG LEU A 51 5.428 -3.195 -6.889 1.00 25.01 C ATOM 738 CD1 LEU A 51 5.703 -2.563 -8.245 1.00 32.03 C ATOM 739 CD2 LEU A 51 6.461 -4.270 -6.581 1.00 12.34 C ATOM 0 H LEU A 51 4.377 0.022 -4.448 1.00 12.31 H new ATOM 0 HA LEU A 51 3.325 -2.531 -5.526 1.00 3.04 H new ATOM 0 HB2 LEU A 51 5.661 -1.168 -6.245 1.00 51.30 H new ATOM 0 HB3 LEU A 51 6.218 -2.358 -5.086 1.00 51.30 H new ATOM 0 HG LEU A 51 4.444 -3.663 -6.922 1.00 25.01 H new ATOM 0 HD11 LEU A 51 5.705 -3.336 -9.013 1.00 32.03 H new ATOM 0 HD12 LEU A 51 4.927 -1.831 -8.469 1.00 32.03 H new ATOM 0 HD13 LEU A 51 6.674 -2.068 -8.226 1.00 32.03 H new ATOM 0 HD21 LEU A 51 6.453 -5.020 -7.372 1.00 12.34 H new ATOM 0 HD22 LEU A 51 7.451 -3.817 -6.520 1.00 12.34 H new ATOM 0 HD23 LEU A 51 6.220 -4.744 -5.629 1.00 12.34 H new ATOM 751 N PRO A 52 3.827 -3.817 -3.436 1.00 61.35 N ATOM 752 CA PRO A 52 3.914 -4.517 -2.151 1.00 71.45 C ATOM 753 C PRO A 52 5.349 -4.875 -1.782 1.00 64.10 C ATOM 754 O PRO A 52 6.211 -5.001 -2.652 1.00 63.41 O ATOM 755 CB PRO A 52 3.089 -5.786 -2.382 1.00 61.03 C ATOM 756 CG PRO A 52 3.145 -6.012 -3.854 1.00 4.03 C ATOM 757 CD PRO A 52 3.202 -4.646 -4.481 1.00 33.35 C ATOM 0 HA PRO A 52 3.554 -3.902 -1.327 1.00 71.45 H new ATOM 0 HB2 PRO A 52 3.504 -6.633 -1.835 1.00 61.03 H new ATOM 0 HB3 PRO A 52 2.062 -5.658 -2.040 1.00 61.03 H new ATOM 0 HG2 PRO A 52 4.020 -6.603 -4.125 1.00 4.03 H new ATOM 0 HG3 PRO A 52 2.270 -6.563 -4.198 1.00 4.03 H new ATOM 0 HD2 PRO A 52 3.792 -4.649 -5.398 1.00 33.35 H new ATOM 0 HD3 PRO A 52 2.208 -4.282 -4.742 1.00 33.35 H new ATOM 765 N ASP A 53 5.599 -5.038 -0.487 1.00 42.45 N ATOM 766 CA ASP A 53 6.931 -5.383 -0.003 1.00 53.31 C ATOM 767 C ASP A 53 7.416 -6.687 -0.629 1.00 14.30 C ATOM 768 O ASP A 53 8.618 -6.907 -0.776 1.00 32.15 O ATOM 769 CB ASP A 53 6.926 -5.505 1.521 1.00 22.05 C ATOM 770 CG ASP A 53 7.800 -4.461 2.189 1.00 63.34 C ATOM 771 OD1 ASP A 53 8.954 -4.283 1.746 1.00 60.33 O ATOM 772 OD2 ASP A 53 7.331 -3.823 3.154 1.00 12.02 O ATOM 0 H ASP A 53 4.897 -4.937 0.246 1.00 42.45 H new ATOM 0 HA ASP A 53 7.615 -4.586 -0.294 1.00 53.31 H new ATOM 0 HB2 ASP A 53 5.904 -5.407 1.887 1.00 22.05 H new ATOM 0 HB3 ASP A 53 7.272 -6.499 1.804 1.00 22.05 H new ATOM 777 N SER A 54 6.472 -7.548 -0.995 1.00 70.23 N ATOM 778 CA SER A 54 6.803 -8.833 -1.601 1.00 1.32 C ATOM 779 C SER A 54 7.797 -8.654 -2.745 1.00 35.01 C ATOM 780 O SER A 54 8.609 -9.537 -3.021 1.00 75.21 O ATOM 781 CB SER A 54 5.536 -9.521 -2.113 1.00 42.42 C ATOM 782 OG SER A 54 5.190 -10.625 -1.296 1.00 71.42 O ATOM 0 H SER A 54 5.472 -7.380 -0.883 1.00 70.23 H new ATOM 0 HA SER A 54 7.264 -9.459 -0.837 1.00 1.32 H new ATOM 0 HB2 SER A 54 4.713 -8.807 -2.132 1.00 42.42 H new ATOM 0 HB3 SER A 54 5.690 -9.857 -3.138 1.00 42.42 H new ATOM 0 HG SER A 54 4.376 -11.047 -1.643 1.00 71.42 H new ATOM 788 N VAL A 55 7.726 -7.504 -3.408 1.00 15.13 N ATOM 789 CA VAL A 55 8.618 -7.207 -4.521 1.00 64.15 C ATOM 790 C VAL A 55 9.233 -5.819 -4.378 1.00 60.33 C ATOM 791 O VAL A 55 8.729 -4.832 -4.913 1.00 51.32 O ATOM 792 CB VAL A 55 7.880 -7.293 -5.871 1.00 4.13 C ATOM 793 CG1 VAL A 55 8.790 -6.849 -7.006 1.00 52.41 C ATOM 794 CG2 VAL A 55 7.368 -8.705 -6.108 1.00 63.54 C ATOM 0 H VAL A 55 7.059 -6.763 -3.193 1.00 15.13 H new ATOM 0 HA VAL A 55 9.410 -7.956 -4.500 1.00 64.15 H new ATOM 0 HB VAL A 55 7.023 -6.620 -5.841 1.00 4.13 H new ATOM 0 HG11 VAL A 55 8.252 -6.916 -7.951 1.00 52.41 H new ATOM 0 HG12 VAL A 55 9.103 -5.818 -6.839 1.00 52.41 H new ATOM 0 HG13 VAL A 55 9.668 -7.494 -7.042 1.00 52.41 H new ATOM 0 HG21 VAL A 55 6.849 -8.748 -7.066 1.00 63.54 H new ATOM 0 HG22 VAL A 55 8.208 -9.400 -6.119 1.00 63.54 H new ATOM 0 HG23 VAL A 55 6.679 -8.981 -5.310 1.00 63.54 H new ATOM 804 N PRO A 56 10.350 -5.740 -3.639 1.00 74.22 N ATOM 805 CA PRO A 56 11.059 -4.478 -3.409 1.00 14.00 C ATOM 806 C PRO A 56 11.739 -3.957 -4.670 1.00 42.11 C ATOM 807 O PRO A 56 12.421 -4.704 -5.372 1.00 61.14 O ATOM 808 CB PRO A 56 12.102 -4.845 -2.351 1.00 62.30 C ATOM 809 CG PRO A 56 12.326 -6.307 -2.531 1.00 60.02 C ATOM 810 CD PRO A 56 11.006 -6.877 -2.972 1.00 1.10 C ATOM 0 HA PRO A 56 10.383 -3.681 -3.101 1.00 14.00 H new ATOM 0 HB2 PRO A 56 13.025 -4.283 -2.493 1.00 62.30 H new ATOM 0 HB3 PRO A 56 11.743 -4.620 -1.347 1.00 62.30 H new ATOM 0 HG2 PRO A 56 13.100 -6.494 -3.275 1.00 60.02 H new ATOM 0 HG3 PRO A 56 12.659 -6.768 -1.601 1.00 60.02 H new ATOM 0 HD2 PRO A 56 11.139 -7.719 -3.651 1.00 1.10 H new ATOM 0 HD3 PRO A 56 10.421 -7.239 -2.126 1.00 1.10 H new ATOM 818 N ILE A 57 11.550 -2.672 -4.951 1.00 61.11 N ATOM 819 CA ILE A 57 12.148 -2.052 -6.127 1.00 55.11 C ATOM 820 C ILE A 57 13.659 -2.255 -6.148 1.00 74.51 C ATOM 821 O ILE A 57 14.227 -2.856 -5.236 1.00 0.00 O ATOM 822 CB ILE A 57 11.843 -0.543 -6.184 1.00 22.22 C ATOM 823 CG1 ILE A 57 12.229 0.127 -4.864 1.00 4.13 C ATOM 824 CG2 ILE A 57 10.371 -0.311 -6.491 1.00 45.04 C ATOM 825 CD1 ILE A 57 13.702 0.456 -4.761 1.00 64.12 C ATOM 0 H ILE A 57 10.988 -2.040 -4.381 1.00 61.11 H new ATOM 0 HA ILE A 57 11.707 -2.537 -6.998 1.00 55.11 H new ATOM 0 HB ILE A 57 12.435 -0.098 -6.983 1.00 22.22 H new ATOM 0 HG12 ILE A 57 11.651 1.044 -4.749 1.00 4.13 H new ATOM 0 HG13 ILE A 57 11.953 -0.529 -4.039 1.00 4.13 H new ATOM 0 HG21 ILE A 57 10.171 0.760 -6.528 1.00 45.04 H new ATOM 0 HG22 ILE A 57 10.125 -0.759 -7.454 1.00 45.04 H new ATOM 0 HG23 ILE A 57 9.761 -0.767 -5.712 1.00 45.04 H new ATOM 0 HD11 ILE A 57 13.903 0.929 -3.800 1.00 64.12 H new ATOM 0 HD12 ILE A 57 14.286 -0.460 -4.844 1.00 64.12 H new ATOM 0 HD13 ILE A 57 13.980 1.137 -5.565 1.00 64.12 H new ATOM 837 N ARG A 58 14.304 -1.750 -7.194 1.00 52.31 N ATOM 838 CA ARG A 58 15.750 -1.875 -7.334 1.00 34.32 C ATOM 839 C ARG A 58 16.471 -1.096 -6.238 1.00 44.14 C ATOM 840 O ARG A 58 16.389 0.131 -6.177 1.00 74.13 O ATOM 841 CB ARG A 58 16.196 -1.375 -8.709 1.00 32.20 C ATOM 842 CG ARG A 58 17.228 -2.269 -9.377 1.00 34.51 C ATOM 843 CD ARG A 58 18.604 -2.092 -8.756 1.00 43.42 C ATOM 844 NE ARG A 58 19.622 -2.881 -9.445 1.00 54.13 N ATOM 845 CZ ARG A 58 20.866 -3.022 -9.004 1.00 4.04 C ATOM 846 NH1 ARG A 58 21.246 -2.430 -7.879 1.00 75.24 N ATOM 847 NH2 ARG A 58 21.735 -3.757 -9.687 1.00 12.23 N ATOM 0 H ARG A 58 13.848 -1.250 -7.957 1.00 52.31 H new ATOM 0 HA ARG A 58 16.010 -2.929 -7.237 1.00 34.32 H new ATOM 0 HB2 ARG A 58 15.324 -1.294 -9.357 1.00 32.20 H new ATOM 0 HB3 ARG A 58 16.610 -0.372 -8.605 1.00 32.20 H new ATOM 0 HG2 ARG A 58 16.920 -3.311 -9.290 1.00 34.51 H new ATOM 0 HG3 ARG A 58 17.276 -2.039 -10.441 1.00 34.51 H new ATOM 0 HD2 ARG A 58 18.882 -1.038 -8.784 1.00 43.42 H new ATOM 0 HD3 ARG A 58 18.568 -2.384 -7.706 1.00 43.42 H new ATOM 0 HE ARG A 58 19.363 -3.350 -10.313 1.00 54.13 H new ATOM 0 HH11 ARG A 58 20.581 -1.865 -7.351 1.00 75.24 H new ATOM 0 HH12 ARG A 58 22.203 -2.540 -7.543 1.00 75.24 H new ATOM 0 HH21 ARG A 58 21.447 -4.214 -10.552 1.00 12.23 H new ATOM 0 HH22 ARG A 58 22.691 -3.864 -9.347 1.00 12.23 H new ATOM 861 N VAL A 59 17.179 -1.817 -5.374 1.00 51.14 N ATOM 862 CA VAL A 59 17.916 -1.194 -4.281 1.00 53.45 C ATOM 863 C VAL A 59 19.355 -0.897 -4.688 1.00 11.02 C ATOM 864 O VAL A 59 19.910 -1.516 -5.596 1.00 30.02 O ATOM 865 CB VAL A 59 17.922 -2.087 -3.027 1.00 72.41 C ATOM 866 CG1 VAL A 59 16.540 -2.127 -2.393 1.00 31.13 C ATOM 867 CG2 VAL A 59 18.398 -3.490 -3.375 1.00 3.41 C ATOM 0 H VAL A 59 17.258 -2.833 -5.410 1.00 51.14 H new ATOM 0 HA VAL A 59 17.407 -0.259 -4.048 1.00 53.45 H new ATOM 0 HB VAL A 59 18.616 -1.661 -2.302 1.00 72.41 H new ATOM 0 HG11 VAL A 59 16.564 -2.763 -1.508 1.00 31.13 H new ATOM 0 HG12 VAL A 59 16.242 -1.118 -2.107 1.00 31.13 H new ATOM 0 HG13 VAL A 59 15.823 -2.528 -3.109 1.00 31.13 H new ATOM 0 HG21 VAL A 59 18.396 -4.108 -2.477 1.00 3.41 H new ATOM 0 HG22 VAL A 59 17.730 -3.927 -4.118 1.00 3.41 H new ATOM 0 HG23 VAL A 59 19.409 -3.441 -3.780 1.00 3.41 H new ATOM 877 N PRO A 60 19.976 0.073 -4.000 1.00 72.21 N ATOM 878 CA PRO A 60 21.360 0.473 -4.271 1.00 13.52 C ATOM 879 C PRO A 60 22.364 -0.597 -3.859 1.00 23.04 C ATOM 880 O PRO A 60 22.660 -0.762 -2.676 1.00 22.00 O ATOM 881 CB PRO A 60 21.538 1.731 -3.417 1.00 43.41 C ATOM 882 CG PRO A 60 20.548 1.584 -2.314 1.00 3.04 C ATOM 883 CD PRO A 60 19.375 0.853 -2.905 1.00 20.41 C ATOM 0 HA PRO A 60 21.537 0.634 -5.334 1.00 13.52 H new ATOM 0 HB2 PRO A 60 22.554 1.806 -3.029 1.00 43.41 H new ATOM 0 HB3 PRO A 60 21.351 2.634 -3.999 1.00 43.41 H new ATOM 0 HG2 PRO A 60 20.974 1.028 -1.479 1.00 3.04 H new ATOM 0 HG3 PRO A 60 20.247 2.558 -1.928 1.00 3.04 H new ATOM 0 HD2 PRO A 60 18.892 0.209 -2.171 1.00 20.41 H new ATOM 0 HD3 PRO A 60 18.615 1.543 -3.273 1.00 20.41 H new ATOM 891 N GLY A 61 22.887 -1.323 -4.843 1.00 14.41 N ATOM 892 CA GLY A 61 23.853 -2.368 -4.562 1.00 30.14 C ATOM 893 C GLY A 61 24.241 -3.148 -5.802 1.00 34.41 C ATOM 894 O GLY A 61 24.093 -2.661 -6.923 1.00 20.11 O ATOM 0 H GLY A 61 22.658 -1.205 -5.830 1.00 14.41 H new ATOM 0 HA2 GLY A 61 24.746 -1.924 -4.122 1.00 30.14 H new ATOM 0 HA3 GLY A 61 23.439 -3.052 -3.821 1.00 30.14 H new ATOM 898 N LYS A 62 24.740 -4.364 -5.603 1.00 13.44 N ATOM 899 CA LYS A 62 25.151 -5.214 -6.713 1.00 72.12 C ATOM 900 C LYS A 62 24.012 -6.131 -7.147 1.00 55.01 C ATOM 901 O LYS A 62 23.012 -6.272 -6.442 1.00 72.01 O ATOM 902 CB LYS A 62 26.370 -6.050 -6.318 1.00 62.21 C ATOM 903 CG LYS A 62 27.676 -5.275 -6.352 1.00 60.25 C ATOM 904 CD LYS A 62 28.714 -5.969 -7.219 1.00 33.11 C ATOM 905 CE LYS A 62 30.038 -5.220 -7.210 1.00 74.43 C ATOM 906 NZ LYS A 62 30.754 -5.345 -8.510 1.00 32.40 N ATOM 0 H LYS A 62 24.869 -4.782 -4.682 1.00 13.44 H new ATOM 0 HA LYS A 62 25.416 -4.570 -7.552 1.00 72.12 H new ATOM 0 HB2 LYS A 62 26.218 -6.446 -5.314 1.00 62.21 H new ATOM 0 HB3 LYS A 62 26.447 -6.905 -6.990 1.00 62.21 H new ATOM 0 HG2 LYS A 62 27.494 -4.271 -6.734 1.00 60.25 H new ATOM 0 HG3 LYS A 62 28.062 -5.165 -5.338 1.00 60.25 H new ATOM 0 HD2 LYS A 62 28.868 -6.987 -6.860 1.00 33.11 H new ATOM 0 HD3 LYS A 62 28.344 -6.044 -8.242 1.00 33.11 H new ATOM 0 HE2 LYS A 62 29.858 -4.167 -6.994 1.00 74.43 H new ATOM 0 HE3 LYS A 62 30.669 -5.606 -6.409 1.00 74.43 H new ATOM 0 HZ1 LYS A 62 31.651 -4.821 -8.464 1.00 32.40 H new ATOM 0 HZ2 LYS A 62 30.948 -6.348 -8.704 1.00 32.40 H new ATOM 0 HZ3 LYS A 62 30.163 -4.953 -9.271 1.00 32.40 H new ATOM 920 N CYS A 63 24.169 -6.753 -8.310 1.00 64.54 N ATOM 921 CA CYS A 63 23.155 -7.658 -8.838 1.00 41.11 C ATOM 922 C CYS A 63 23.608 -9.111 -8.721 1.00 52.54 C ATOM 923 O CYS A 63 24.790 -9.416 -8.875 1.00 71.21 O ATOM 924 CB CYS A 63 22.853 -7.322 -10.300 1.00 23.11 C ATOM 925 SG CYS A 63 21.721 -8.494 -11.113 1.00 74.25 S ATOM 0 H CYS A 63 24.990 -6.647 -8.906 1.00 64.54 H new ATOM 0 HA CYS A 63 22.247 -7.531 -8.248 1.00 41.11 H new ATOM 0 HB2 CYS A 63 22.422 -6.322 -10.350 1.00 23.11 H new ATOM 0 HB3 CYS A 63 23.790 -7.293 -10.856 1.00 23.11 H new ATOM 930 N GLN A 64 22.659 -10.000 -8.449 1.00 73.21 N ATOM 931 CA GLN A 64 22.960 -11.420 -8.311 1.00 62.25 C ATOM 932 C GLN A 64 21.878 -12.272 -8.967 1.00 23.45 C ATOM 933 O GLN A 64 20.918 -11.748 -9.532 1.00 35.35 O ATOM 934 CB GLN A 64 23.096 -11.794 -6.834 1.00 55.43 C ATOM 935 CG GLN A 64 24.506 -12.196 -6.435 1.00 42.51 C ATOM 936 CD GLN A 64 24.597 -13.642 -5.990 1.00 10.35 C ATOM 937 OE1 GLN A 64 24.200 -14.553 -6.716 1.00 64.31 O ATOM 938 NE2 GLN A 64 25.121 -13.860 -4.789 1.00 43.22 N ATOM 0 H GLN A 64 21.675 -9.763 -8.320 1.00 73.21 H new ATOM 0 HA GLN A 64 23.906 -11.616 -8.816 1.00 62.25 H new ATOM 0 HB2 GLN A 64 22.782 -10.948 -6.223 1.00 55.43 H new ATOM 0 HB3 GLN A 64 22.416 -12.617 -6.612 1.00 55.43 H new ATOM 0 HG2 GLN A 64 25.178 -12.037 -7.279 1.00 42.51 H new ATOM 0 HG3 GLN A 64 24.849 -11.549 -5.628 1.00 42.51 H new ATOM 0 HE21 GLN A 64 25.437 -13.075 -4.220 1.00 43.22 H new ATOM 0 HE22 GLN A 64 25.207 -14.813 -4.435 1.00 43.22 H new