USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 298 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 NoAdj-H: A 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0208 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.162 X(o=-0.16,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc=-0.000752 X(o=-0.00075,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 66:sc= 0.223 USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= -0.17 (180deg=-0.921) USER MOD Single : A 39 SER OG : rot 180:sc= 0.0401 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -59:sc= 0.0991 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.323 -18.595 -3.301 1.00 0.00 N ATOM 2 CA GLY A 1 -0.637 -17.532 -2.364 1.00 0.00 C ATOM 3 C GLY A 1 -1.987 -16.899 -2.636 1.00 0.00 C ATOM 4 O GLY A 1 -2.400 -16.774 -3.789 1.00 0.00 O ATOM 0 H1 GLY A 1 0.648 -18.472 -3.653 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.404 -19.515 -2.822 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.987 -18.561 -4.100 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.624 -17.931 -1.350 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.137 -16.766 -2.416 1.00 0.00 H new ATOM 8 N SER A 2 -2.676 -16.499 -1.572 1.00 0.00 N ATOM 9 CA SER A 2 -3.990 -15.881 -1.701 1.00 0.00 C ATOM 10 C SER A 2 -4.110 -14.663 -0.789 1.00 0.00 C ATOM 11 O SER A 2 -3.585 -14.654 0.324 1.00 0.00 O ATOM 12 CB SER A 2 -5.089 -16.892 -1.368 1.00 0.00 C ATOM 13 OG SER A 2 -5.393 -17.703 -2.489 1.00 0.00 O ATOM 0 H SER A 2 -2.346 -16.592 -0.611 1.00 0.00 H new ATOM 0 HA SER A 2 -4.109 -15.553 -2.734 1.00 0.00 H new ATOM 0 HB2 SER A 2 -4.769 -17.520 -0.537 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.986 -16.365 -1.043 1.00 0.00 H new ATOM 0 HG SER A 2 -6.097 -18.342 -2.250 1.00 0.00 H new ATOM 19 N SER A 3 -4.804 -13.637 -1.270 1.00 0.00 N ATOM 20 CA SER A 3 -4.990 -12.413 -0.501 1.00 0.00 C ATOM 21 C SER A 3 -6.474 -12.113 -0.307 1.00 0.00 C ATOM 22 O SER A 3 -7.324 -12.637 -1.025 1.00 0.00 O ATOM 23 CB SER A 3 -4.308 -11.236 -1.202 1.00 0.00 C ATOM 24 OG SER A 3 -4.225 -10.111 -0.345 1.00 0.00 O ATOM 0 H SER A 3 -5.247 -13.629 -2.189 1.00 0.00 H new ATOM 0 HA SER A 3 -4.535 -12.557 0.479 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.308 -11.529 -1.521 1.00 0.00 H new ATOM 0 HB3 SER A 3 -4.865 -10.972 -2.101 1.00 0.00 H new ATOM 0 HG SER A 3 -3.784 -9.373 -0.816 1.00 0.00 H new ATOM 30 N GLY A 4 -6.777 -11.264 0.671 1.00 0.00 N ATOM 31 CA GLY A 4 -8.158 -10.909 0.943 1.00 0.00 C ATOM 32 C GLY A 4 -8.435 -9.437 0.706 1.00 0.00 C ATOM 33 O GLY A 4 -7.798 -8.574 1.310 1.00 0.00 O ATOM 0 H GLY A 4 -6.091 -10.816 1.279 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.815 -11.506 0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.398 -11.159 1.977 1.00 0.00 H new ATOM 37 N SER A 5 -9.386 -9.151 -0.177 1.00 0.00 N ATOM 38 CA SER A 5 -9.742 -7.773 -0.497 1.00 0.00 C ATOM 39 C SER A 5 -11.081 -7.714 -1.226 1.00 0.00 C ATOM 40 O SER A 5 -11.236 -8.277 -2.309 1.00 0.00 O ATOM 41 CB SER A 5 -8.652 -7.129 -1.355 1.00 0.00 C ATOM 42 OG SER A 5 -8.954 -5.771 -1.626 1.00 0.00 O ATOM 0 H SER A 5 -9.924 -9.854 -0.684 1.00 0.00 H new ATOM 0 HA SER A 5 -9.832 -7.220 0.438 1.00 0.00 H new ATOM 0 HB2 SER A 5 -7.693 -7.196 -0.841 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.551 -7.677 -2.292 1.00 0.00 H new ATOM 0 HG SER A 5 -8.242 -5.381 -2.174 1.00 0.00 H new ATOM 48 N SER A 6 -12.046 -7.027 -0.623 1.00 0.00 N ATOM 49 CA SER A 6 -13.374 -6.896 -1.212 1.00 0.00 C ATOM 50 C SER A 6 -13.822 -5.437 -1.223 1.00 0.00 C ATOM 51 O SER A 6 -14.280 -4.909 -0.210 1.00 0.00 O ATOM 52 CB SER A 6 -14.384 -7.746 -0.439 1.00 0.00 C ATOM 53 OG SER A 6 -14.195 -9.126 -0.699 1.00 0.00 O ATOM 0 H SER A 6 -11.933 -6.553 0.273 1.00 0.00 H new ATOM 0 HA SER A 6 -13.325 -7.250 -2.242 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.281 -7.557 0.629 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.397 -7.456 -0.718 1.00 0.00 H new ATOM 0 HG SER A 6 -14.852 -9.647 -0.192 1.00 0.00 H new ATOM 59 N GLY A 7 -13.685 -4.791 -2.377 1.00 0.00 N ATOM 60 CA GLY A 7 -14.080 -3.400 -2.499 1.00 0.00 C ATOM 61 C GLY A 7 -13.224 -2.640 -3.494 1.00 0.00 C ATOM 62 O GLY A 7 -12.092 -2.267 -3.189 1.00 0.00 O ATOM 0 H GLY A 7 -13.308 -5.206 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.124 -3.348 -2.808 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -14.012 -2.919 -1.523 1.00 0.00 H new ATOM 66 N GLU A 8 -13.766 -2.413 -4.686 1.00 0.00 N ATOM 67 CA GLU A 8 -13.042 -1.695 -5.729 1.00 0.00 C ATOM 68 C GLU A 8 -12.450 -0.398 -5.185 1.00 0.00 C ATOM 69 O GLU A 8 -13.123 0.361 -4.488 1.00 0.00 O ATOM 70 CB GLU A 8 -13.970 -1.390 -6.907 1.00 0.00 C ATOM 71 CG GLU A 8 -14.338 -2.617 -7.724 1.00 0.00 C ATOM 72 CD GLU A 8 -13.124 -3.324 -8.295 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.176 -2.630 -8.715 1.00 0.00 O ATOM 74 OE2 GLU A 8 -13.124 -4.573 -8.320 1.00 0.00 O ATOM 0 H GLU A 8 -14.703 -2.715 -4.954 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.226 -2.331 -6.073 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -14.882 -0.928 -6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -13.489 -0.661 -7.559 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -14.897 -3.312 -7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.998 -2.321 -8.539 1.00 0.00 H new ATOM 81 N LYS A 9 -11.185 -0.150 -5.510 1.00 0.00 N ATOM 82 CA LYS A 9 -10.500 1.054 -5.056 1.00 0.00 C ATOM 83 C LYS A 9 -9.909 1.821 -6.235 1.00 0.00 C ATOM 84 O LYS A 9 -9.002 1.349 -6.921 1.00 0.00 O ATOM 85 CB LYS A 9 -9.394 0.693 -4.063 1.00 0.00 C ATOM 86 CG LYS A 9 -9.878 0.577 -2.628 1.00 0.00 C ATOM 87 CD LYS A 9 -9.008 -0.371 -1.820 1.00 0.00 C ATOM 88 CE LYS A 9 -9.647 -0.712 -0.483 1.00 0.00 C ATOM 89 NZ LYS A 9 -8.628 -1.042 0.552 1.00 0.00 N ATOM 0 H LYS A 9 -10.614 -0.768 -6.087 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.231 1.692 -4.560 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.943 -0.253 -4.363 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.611 1.450 -4.113 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.875 1.562 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.909 0.223 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.840 -1.286 -2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.032 0.083 -1.652 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.250 0.130 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.323 -1.557 -0.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.104 -1.269 1.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.069 -1.862 0.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.998 -0.226 0.691 1.00 0.00 H new ATOM 103 N PRO A 10 -10.433 3.031 -6.477 1.00 0.00 N ATOM 104 CA PRO A 10 -9.970 3.889 -7.572 1.00 0.00 C ATOM 105 C PRO A 10 -8.568 4.437 -7.327 1.00 0.00 C ATOM 106 O PRO A 10 -8.058 5.237 -8.111 1.00 0.00 O ATOM 107 CB PRO A 10 -10.994 5.028 -7.587 1.00 0.00 C ATOM 108 CG PRO A 10 -11.528 5.076 -6.197 1.00 0.00 C ATOM 109 CD PRO A 10 -11.516 3.656 -5.700 1.00 0.00 C ATOM 0 HA PRO A 10 -9.902 3.346 -8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -10.530 5.974 -7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -11.788 4.837 -8.310 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -10.913 5.716 -5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.537 5.487 -6.181 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.322 3.607 -4.629 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.472 3.162 -5.873 1.00 0.00 H new ATOM 117 N TYR A 11 -7.950 3.999 -6.236 1.00 0.00 N ATOM 118 CA TYR A 11 -6.607 4.448 -5.887 1.00 0.00 C ATOM 119 C TYR A 11 -5.720 3.266 -5.506 1.00 0.00 C ATOM 120 O TYR A 11 -5.904 2.651 -4.455 1.00 0.00 O ATOM 121 CB TYR A 11 -6.665 5.449 -4.732 1.00 0.00 C ATOM 122 CG TYR A 11 -7.551 6.643 -5.009 1.00 0.00 C ATOM 123 CD1 TYR A 11 -8.913 6.599 -4.741 1.00 0.00 C ATOM 124 CD2 TYR A 11 -7.024 7.815 -5.539 1.00 0.00 C ATOM 125 CE1 TYR A 11 -9.726 7.687 -4.994 1.00 0.00 C ATOM 126 CE2 TYR A 11 -7.829 8.908 -5.793 1.00 0.00 C ATOM 127 CZ TYR A 11 -9.180 8.839 -5.520 1.00 0.00 C ATOM 128 OH TYR A 11 -9.986 9.925 -5.771 1.00 0.00 O ATOM 0 H TYR A 11 -8.357 3.334 -5.578 1.00 0.00 H new ATOM 0 HA TYR A 11 -6.176 4.937 -6.761 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -7.025 4.939 -3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -5.656 5.799 -4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -9.344 5.699 -4.328 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.967 7.872 -5.756 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -10.784 7.636 -4.781 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -7.404 9.812 -6.203 1.00 0.00 H new ATOM 0 HH TYR A 11 -9.446 10.655 -6.139 1.00 0.00 H new ATOM 138 N SER A 12 -4.758 2.955 -6.368 1.00 0.00 N ATOM 139 CA SER A 12 -3.844 1.845 -6.125 1.00 0.00 C ATOM 140 C SER A 12 -2.403 2.254 -6.418 1.00 0.00 C ATOM 141 O SER A 12 -2.120 2.888 -7.435 1.00 0.00 O ATOM 142 CB SER A 12 -4.229 0.641 -6.987 1.00 0.00 C ATOM 143 OG SER A 12 -5.623 0.395 -6.926 1.00 0.00 O ATOM 0 H SER A 12 -4.591 3.456 -7.241 1.00 0.00 H new ATOM 0 HA SER A 12 -3.919 1.569 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.933 0.820 -8.021 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.686 -0.241 -6.648 1.00 0.00 H new ATOM 0 HG SER A 12 -5.844 -0.378 -7.486 1.00 0.00 H new ATOM 149 N CYS A 13 -1.496 1.887 -5.519 1.00 0.00 N ATOM 150 CA CYS A 13 -0.085 2.215 -5.678 1.00 0.00 C ATOM 151 C CYS A 13 0.502 1.515 -6.901 1.00 0.00 C ATOM 152 O CYS A 13 -0.053 0.534 -7.393 1.00 0.00 O ATOM 153 CB CYS A 13 0.697 1.816 -4.425 1.00 0.00 C ATOM 154 SG CYS A 13 2.481 2.173 -4.517 1.00 0.00 S ATOM 0 H CYS A 13 -1.714 1.362 -4.672 1.00 0.00 H new ATOM 0 HA CYS A 13 -0.002 3.292 -5.823 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.277 2.338 -3.566 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.559 0.749 -4.248 1.00 0.00 H new ATOM 159 N ASN A 14 1.628 2.028 -7.385 1.00 0.00 N ATOM 160 CA ASN A 14 2.290 1.453 -8.551 1.00 0.00 C ATOM 161 C ASN A 14 3.729 1.066 -8.223 1.00 0.00 C ATOM 162 O ASN A 14 4.229 0.043 -8.690 1.00 0.00 O ATOM 163 CB ASN A 14 2.270 2.445 -9.716 1.00 0.00 C ATOM 164 CG ASN A 14 2.245 1.752 -11.064 1.00 0.00 C ATOM 165 OD1 ASN A 14 1.268 1.849 -11.807 1.00 0.00 O ATOM 166 ND2 ASN A 14 3.323 1.047 -11.387 1.00 0.00 N ATOM 0 H ASN A 14 2.101 2.840 -6.989 1.00 0.00 H new ATOM 0 HA ASN A 14 1.747 0.553 -8.839 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.396 3.090 -9.626 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.148 3.088 -9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.364 0.559 -12.282 1.00 0.00 H new ATOM 0 HD22 ASN A 14 4.110 0.994 -10.741 1.00 0.00 H new ATOM 173 N GLU A 15 4.389 1.891 -7.416 1.00 0.00 N ATOM 174 CA GLU A 15 5.771 1.635 -7.026 1.00 0.00 C ATOM 175 C GLU A 15 5.915 0.241 -6.421 1.00 0.00 C ATOM 176 O GLU A 15 6.571 -0.631 -6.992 1.00 0.00 O ATOM 177 CB GLU A 15 6.245 2.689 -6.024 1.00 0.00 C ATOM 178 CG GLU A 15 5.732 4.088 -6.324 1.00 0.00 C ATOM 179 CD GLU A 15 6.675 5.172 -5.839 1.00 0.00 C ATOM 180 OE1 GLU A 15 7.904 4.975 -5.935 1.00 0.00 O ATOM 181 OE2 GLU A 15 6.184 6.217 -5.363 1.00 0.00 O ATOM 0 H GLU A 15 3.989 2.742 -7.020 1.00 0.00 H new ATOM 0 HA GLU A 15 6.391 1.691 -7.921 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.922 2.399 -5.024 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.335 2.705 -6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.585 4.194 -7.399 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.758 4.222 -5.854 1.00 0.00 H new ATOM 188 N CYS A 16 5.299 0.040 -5.261 1.00 0.00 N ATOM 189 CA CYS A 16 5.359 -1.246 -4.576 1.00 0.00 C ATOM 190 C CYS A 16 4.100 -2.066 -4.847 1.00 0.00 C ATOM 191 O CYS A 16 4.160 -3.286 -4.990 1.00 0.00 O ATOM 192 CB CYS A 16 5.531 -1.038 -3.070 1.00 0.00 C ATOM 193 SG CYS A 16 3.986 -0.634 -2.194 1.00 0.00 S ATOM 0 H CYS A 16 4.752 0.751 -4.775 1.00 0.00 H new ATOM 0 HA CYS A 16 6.219 -1.795 -4.961 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.957 -1.942 -2.635 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.250 -0.236 -2.905 1.00 0.00 H new ATOM 198 N GLY A 17 2.961 -1.384 -4.917 1.00 0.00 N ATOM 199 CA GLY A 17 1.704 -2.064 -5.170 1.00 0.00 C ATOM 200 C GLY A 17 0.792 -2.067 -3.959 1.00 0.00 C ATOM 201 O GLY A 17 1.142 -2.607 -2.910 1.00 0.00 O ATOM 0 H GLY A 17 2.886 -0.373 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.194 -1.581 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.905 -3.092 -5.472 1.00 0.00 H new ATOM 205 N LYS A 18 -0.382 -1.461 -4.103 1.00 0.00 N ATOM 206 CA LYS A 18 -1.348 -1.395 -3.013 1.00 0.00 C ATOM 207 C LYS A 18 -2.658 -0.771 -3.484 1.00 0.00 C ATOM 208 O LYS A 18 -2.751 -0.274 -4.606 1.00 0.00 O ATOM 209 CB LYS A 18 -0.776 -0.586 -1.846 1.00 0.00 C ATOM 210 CG LYS A 18 -1.618 -0.662 -0.584 1.00 0.00 C ATOM 211 CD LYS A 18 -0.767 -0.497 0.664 1.00 0.00 C ATOM 212 CE LYS A 18 -1.626 -0.386 1.914 1.00 0.00 C ATOM 213 NZ LYS A 18 -0.890 -0.820 3.134 1.00 0.00 N ATOM 0 H LYS A 18 -0.687 -1.008 -4.965 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.550 -2.412 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.229 -0.944 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.683 0.457 -2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.383 0.114 -0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.136 -1.620 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.091 -1.347 0.760 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.147 0.394 0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.956 0.645 2.037 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.522 -0.996 1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.510 -0.729 3.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.597 -1.812 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.049 -0.222 3.263 1.00 0.00 H new ATOM 227 N ALA A 19 -3.666 -0.799 -2.620 1.00 0.00 N ATOM 228 CA ALA A 19 -4.969 -0.234 -2.947 1.00 0.00 C ATOM 229 C ALA A 19 -5.424 0.752 -1.876 1.00 0.00 C ATOM 230 O ALA A 19 -4.962 0.702 -0.735 1.00 0.00 O ATOM 231 CB ALA A 19 -5.998 -1.342 -3.118 1.00 0.00 C ATOM 0 H ALA A 19 -3.606 -1.207 -1.687 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.876 0.308 -3.888 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.966 -0.905 -3.362 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.687 -2.007 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.079 -1.909 -2.191 1.00 0.00 H new ATOM 237 N PHE A 20 -6.331 1.648 -2.250 1.00 0.00 N ATOM 238 CA PHE A 20 -6.847 2.648 -1.321 1.00 0.00 C ATOM 239 C PHE A 20 -8.198 3.180 -1.791 1.00 0.00 C ATOM 240 O PHE A 20 -8.420 3.377 -2.986 1.00 0.00 O ATOM 241 CB PHE A 20 -5.853 3.802 -1.177 1.00 0.00 C ATOM 242 CG PHE A 20 -4.539 3.391 -0.577 1.00 0.00 C ATOM 243 CD1 PHE A 20 -4.381 3.324 0.798 1.00 0.00 C ATOM 244 CD2 PHE A 20 -3.462 3.070 -1.388 1.00 0.00 C ATOM 245 CE1 PHE A 20 -3.173 2.947 1.352 1.00 0.00 C ATOM 246 CE2 PHE A 20 -2.252 2.691 -0.839 1.00 0.00 C ATOM 247 CZ PHE A 20 -2.107 2.629 0.533 1.00 0.00 C ATOM 0 H PHE A 20 -6.724 1.703 -3.190 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.982 2.171 -0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.674 4.241 -2.159 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.299 4.580 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.211 3.569 1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.570 3.117 -2.462 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.062 2.901 2.425 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.420 2.443 -1.482 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.162 2.333 0.965 1.00 0.00 H new ATOM 257 N THR A 21 -9.099 3.411 -0.841 1.00 0.00 N ATOM 258 CA THR A 21 -10.428 3.918 -1.155 1.00 0.00 C ATOM 259 C THR A 21 -10.395 5.419 -1.422 1.00 0.00 C ATOM 260 O THR A 21 -11.176 5.934 -2.222 1.00 0.00 O ATOM 261 CB THR A 21 -11.423 3.633 -0.014 1.00 0.00 C ATOM 262 OG1 THR A 21 -11.483 2.225 0.243 1.00 0.00 O ATOM 263 CG2 THR A 21 -12.810 4.149 -0.364 1.00 0.00 C ATOM 0 H THR A 21 -8.932 3.255 0.153 1.00 0.00 H new ATOM 0 HA THR A 21 -10.760 3.399 -2.054 1.00 0.00 H new ATOM 0 HB THR A 21 -11.075 4.151 0.880 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.116 2.052 0.971 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.495 3.936 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.766 5.225 -0.531 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.164 3.656 -1.269 1.00 0.00 H new ATOM 271 N PHE A 22 -9.486 6.115 -0.747 1.00 0.00 N ATOM 272 CA PHE A 22 -9.352 7.558 -0.911 1.00 0.00 C ATOM 273 C PHE A 22 -7.922 7.931 -1.292 1.00 0.00 C ATOM 274 O PHE A 22 -6.968 7.256 -0.905 1.00 0.00 O ATOM 275 CB PHE A 22 -9.753 8.279 0.377 1.00 0.00 C ATOM 276 CG PHE A 22 -11.228 8.546 0.480 1.00 0.00 C ATOM 277 CD1 PHE A 22 -12.082 7.594 1.013 1.00 0.00 C ATOM 278 CD2 PHE A 22 -11.760 9.749 0.045 1.00 0.00 C ATOM 279 CE1 PHE A 22 -13.439 7.837 1.109 1.00 0.00 C ATOM 280 CE2 PHE A 22 -13.116 9.997 0.138 1.00 0.00 C ATOM 281 CZ PHE A 22 -13.957 9.040 0.672 1.00 0.00 C ATOM 0 H PHE A 22 -8.832 5.703 -0.082 1.00 0.00 H new ATOM 0 HA PHE A 22 -10.018 7.870 -1.716 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -9.440 7.680 1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.215 9.225 0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -11.683 6.651 1.357 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.107 10.502 -0.372 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.094 7.086 1.526 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -13.518 10.938 -0.207 1.00 0.00 H new ATOM 0 HZ PHE A 22 -15.017 9.232 0.747 1.00 0.00 H new ATOM 291 N LYS A 23 -7.782 9.010 -2.053 1.00 0.00 N ATOM 292 CA LYS A 23 -6.470 9.476 -2.487 1.00 0.00 C ATOM 293 C LYS A 23 -5.537 9.663 -1.295 1.00 0.00 C ATOM 294 O LYS A 23 -4.518 8.983 -1.179 1.00 0.00 O ATOM 295 CB LYS A 23 -6.602 10.792 -3.257 1.00 0.00 C ATOM 296 CG LYS A 23 -5.283 11.314 -3.799 1.00 0.00 C ATOM 297 CD LYS A 23 -4.940 10.680 -5.137 1.00 0.00 C ATOM 298 CE LYS A 23 -5.486 11.498 -6.298 1.00 0.00 C ATOM 299 NZ LYS A 23 -4.508 12.519 -6.765 1.00 0.00 N ATOM 0 H LYS A 23 -8.562 9.579 -2.383 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.043 8.719 -3.145 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.295 10.650 -4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.039 11.545 -2.601 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.338 12.397 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.487 11.108 -3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.858 10.590 -5.231 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.349 9.670 -5.178 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.739 10.833 -7.124 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.408 11.992 -5.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.917 13.055 -7.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.286 13.169 -5.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.637 12.047 -7.081 1.00 0.00 H new ATOM 313 N SER A 24 -5.894 10.589 -0.410 1.00 0.00 N ATOM 314 CA SER A 24 -5.087 10.867 0.772 1.00 0.00 C ATOM 315 C SER A 24 -4.427 9.594 1.292 1.00 0.00 C ATOM 316 O SER A 24 -3.205 9.524 1.422 1.00 0.00 O ATOM 317 CB SER A 24 -5.952 11.491 1.870 1.00 0.00 C ATOM 318 OG SER A 24 -6.391 12.786 1.499 1.00 0.00 O ATOM 0 H SER A 24 -6.736 11.159 -0.489 1.00 0.00 H new ATOM 0 HA SER A 24 -4.305 11.571 0.490 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.814 10.853 2.065 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.382 11.549 2.797 1.00 0.00 H new ATOM 0 HG SER A 24 -6.943 13.162 2.216 1.00 0.00 H new ATOM 324 N GLN A 25 -5.245 8.589 1.587 1.00 0.00 N ATOM 325 CA GLN A 25 -4.742 7.317 2.092 1.00 0.00 C ATOM 326 C GLN A 25 -3.582 6.813 1.240 1.00 0.00 C ATOM 327 O GLN A 25 -2.585 6.313 1.762 1.00 0.00 O ATOM 328 CB GLN A 25 -5.861 6.275 2.119 1.00 0.00 C ATOM 329 CG GLN A 25 -6.974 6.603 3.101 1.00 0.00 C ATOM 330 CD GLN A 25 -7.699 5.367 3.596 1.00 0.00 C ATOM 331 OE1 GLN A 25 -7.463 4.899 4.710 1.00 0.00 O ATOM 332 NE2 GLN A 25 -8.588 4.831 2.767 1.00 0.00 N ATOM 0 H GLN A 25 -6.259 8.631 1.485 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.380 7.477 3.108 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.285 6.184 1.119 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.436 5.304 2.375 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.555 7.139 3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -7.689 7.272 2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -8.752 5.252 1.853 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -9.107 3.998 3.045 1.00 0.00 H new ATOM 341 N LEU A 26 -3.719 6.948 -0.075 1.00 0.00 N ATOM 342 CA LEU A 26 -2.682 6.506 -1.001 1.00 0.00 C ATOM 343 C LEU A 26 -1.475 7.437 -0.953 1.00 0.00 C ATOM 344 O LEU A 26 -0.330 6.988 -1.012 1.00 0.00 O ATOM 345 CB LEU A 26 -3.236 6.444 -2.426 1.00 0.00 C ATOM 346 CG LEU A 26 -2.216 6.165 -3.531 1.00 0.00 C ATOM 347 CD1 LEU A 26 -1.631 4.770 -3.377 1.00 0.00 C ATOM 348 CD2 LEU A 26 -2.857 6.329 -4.901 1.00 0.00 C ATOM 0 H LEU A 26 -4.537 7.360 -0.523 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.361 5.509 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.003 5.670 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.729 7.391 -2.645 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.405 6.888 -3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.907 4.589 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.135 4.688 -2.410 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.430 4.031 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.117 6.127 -5.675 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.687 5.629 -5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.227 7.349 -5.010 1.00 0.00 H new ATOM 360 N ILE A 27 -1.740 8.734 -0.843 1.00 0.00 N ATOM 361 CA ILE A 27 -0.675 9.728 -0.783 1.00 0.00 C ATOM 362 C ILE A 27 0.267 9.455 0.385 1.00 0.00 C ATOM 363 O ILE A 27 1.485 9.582 0.257 1.00 0.00 O ATOM 364 CB ILE A 27 -1.243 11.154 -0.647 1.00 0.00 C ATOM 365 CG1 ILE A 27 -2.414 11.354 -1.611 1.00 0.00 C ATOM 366 CG2 ILE A 27 -0.154 12.184 -0.907 1.00 0.00 C ATOM 367 CD1 ILE A 27 -2.108 10.928 -3.030 1.00 0.00 C ATOM 0 H ILE A 27 -2.682 9.121 -0.794 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.121 9.654 -1.719 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.608 11.289 0.371 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.273 10.790 -1.248 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -2.700 12.406 -1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.570 13.187 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.652 12.052 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.238 12.052 -1.916 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.983 11.098 -3.658 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.269 11.510 -3.412 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.851 9.869 -3.045 1.00 0.00 H new ATOM 379 N VAL A 28 -0.305 9.077 1.524 1.00 0.00 N ATOM 380 CA VAL A 28 0.483 8.782 2.714 1.00 0.00 C ATOM 381 C VAL A 28 1.345 7.541 2.509 1.00 0.00 C ATOM 382 O VAL A 28 2.535 7.539 2.827 1.00 0.00 O ATOM 383 CB VAL A 28 -0.417 8.570 3.946 1.00 0.00 C ATOM 384 CG1 VAL A 28 0.425 8.398 5.200 1.00 0.00 C ATOM 385 CG2 VAL A 28 -1.388 9.731 4.101 1.00 0.00 C ATOM 0 H VAL A 28 -1.312 8.968 1.647 1.00 0.00 H new ATOM 0 HA VAL A 28 1.127 9.644 2.888 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.996 7.658 3.799 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.229 8.249 6.060 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.076 7.531 5.085 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.032 9.290 5.356 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.016 9.565 4.976 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.829 10.658 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.015 9.802 3.212 1.00 0.00 H new ATOM 395 N HIS A 29 0.737 6.486 1.976 1.00 0.00 N ATOM 396 CA HIS A 29 1.449 5.238 1.727 1.00 0.00 C ATOM 397 C HIS A 29 2.497 5.419 0.634 1.00 0.00 C ATOM 398 O HIS A 29 3.502 4.709 0.598 1.00 0.00 O ATOM 399 CB HIS A 29 0.466 4.136 1.331 1.00 0.00 C ATOM 400 CG HIS A 29 1.091 3.037 0.527 1.00 0.00 C ATOM 401 ND1 HIS A 29 1.532 1.855 1.084 1.00 0.00 N ATOM 402 CD2 HIS A 29 1.346 2.945 -0.799 1.00 0.00 C ATOM 403 CE1 HIS A 29 2.033 1.084 0.135 1.00 0.00 C ATOM 404 NE2 HIS A 29 1.932 1.722 -1.017 1.00 0.00 N ATOM 0 H HIS A 29 -0.247 6.471 1.708 1.00 0.00 H new ATOM 0 HA HIS A 29 1.956 4.948 2.647 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.027 3.710 2.233 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -0.349 4.577 0.757 1.00 0.00 H new ATOM 0 HD1 HIS A 29 1.480 1.614 2.074 1.00 0.00 H new ATOM 0 HD2 HIS A 29 1.129 3.694 -1.546 1.00 0.00 H new ATOM 0 HE1 HIS A 29 2.454 0.099 0.277 1.00 0.00 H new ATOM 412 N LYS A 30 2.256 6.374 -0.258 1.00 0.00 N ATOM 413 CA LYS A 30 3.178 6.650 -1.353 1.00 0.00 C ATOM 414 C LYS A 30 4.408 7.399 -0.853 1.00 0.00 C ATOM 415 O LYS A 30 5.509 7.223 -1.373 1.00 0.00 O ATOM 416 CB LYS A 30 2.479 7.466 -2.443 1.00 0.00 C ATOM 417 CG LYS A 30 1.645 6.624 -3.393 1.00 0.00 C ATOM 418 CD LYS A 30 1.522 7.281 -4.758 1.00 0.00 C ATOM 419 CE LYS A 30 0.946 6.322 -5.788 1.00 0.00 C ATOM 420 NZ LYS A 30 1.186 6.794 -7.180 1.00 0.00 N ATOM 0 H LYS A 30 1.429 6.970 -0.244 1.00 0.00 H new ATOM 0 HA LYS A 30 3.500 5.697 -1.772 1.00 0.00 H new ATOM 0 HB2 LYS A 30 1.837 8.211 -1.972 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.230 8.009 -3.016 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.099 5.639 -3.502 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.652 6.472 -2.970 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.884 8.162 -4.683 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.503 7.624 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.393 5.336 -5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.126 6.211 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.779 6.113 -7.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.738 7.723 -7.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.209 6.876 -7.347 1.00 0.00 H new ATOM 434 N GLY A 31 4.214 8.235 0.163 1.00 0.00 N ATOM 435 CA GLY A 31 5.318 8.997 0.718 1.00 0.00 C ATOM 436 C GLY A 31 6.510 8.126 1.060 1.00 0.00 C ATOM 437 O GLY A 31 7.657 8.563 0.958 1.00 0.00 O ATOM 0 H GLY A 31 3.312 8.398 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.624 9.761 0.003 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.982 9.516 1.616 1.00 0.00 H new ATOM 441 N VAL A 32 6.240 6.891 1.468 1.00 0.00 N ATOM 442 CA VAL A 32 7.300 5.956 1.827 1.00 0.00 C ATOM 443 C VAL A 32 8.274 5.759 0.671 1.00 0.00 C ATOM 444 O VAL A 32 9.475 5.586 0.879 1.00 0.00 O ATOM 445 CB VAL A 32 6.726 4.587 2.239 1.00 0.00 C ATOM 446 CG1 VAL A 32 5.508 4.766 3.133 1.00 0.00 C ATOM 447 CG2 VAL A 32 6.378 3.764 1.008 1.00 0.00 C ATOM 0 H VAL A 32 5.297 6.514 1.558 1.00 0.00 H new ATOM 0 HA VAL A 32 7.830 6.389 2.675 1.00 0.00 H new ATOM 0 HB VAL A 32 7.486 4.049 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.116 3.788 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.793 5.314 4.031 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.741 5.324 2.596 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.974 2.800 1.317 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.635 4.295 0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.276 3.606 0.410 1.00 0.00 H new ATOM 457 N HIS A 33 7.748 5.786 -0.550 1.00 0.00 N ATOM 458 CA HIS A 33 8.572 5.612 -1.741 1.00 0.00 C ATOM 459 C HIS A 33 9.169 6.942 -2.188 1.00 0.00 C ATOM 460 O HIS A 33 10.232 6.981 -2.809 1.00 0.00 O ATOM 461 CB HIS A 33 7.744 5.004 -2.874 1.00 0.00 C ATOM 462 CG HIS A 33 6.793 3.942 -2.418 1.00 0.00 C ATOM 463 ND1 HIS A 33 7.203 2.778 -1.802 1.00 0.00 N ATOM 464 CD2 HIS A 33 5.443 3.872 -2.489 1.00 0.00 C ATOM 465 CE1 HIS A 33 6.147 2.038 -1.516 1.00 0.00 C ATOM 466 NE2 HIS A 33 5.066 2.680 -1.922 1.00 0.00 N ATOM 0 H HIS A 33 6.756 5.927 -0.740 1.00 0.00 H new ATOM 0 HA HIS A 33 9.388 4.934 -1.493 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.181 5.797 -3.367 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.418 4.581 -3.619 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.171 2.528 -1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 33 4.785 4.616 -2.913 1.00 0.00 H new ATOM 0 HE1 HIS A 33 6.164 1.072 -1.033 1.00 0.00 H new ATOM 474 N THR A 34 8.479 8.033 -1.869 1.00 0.00 N ATOM 475 CA THR A 34 8.940 9.365 -2.240 1.00 0.00 C ATOM 476 C THR A 34 9.882 9.934 -1.185 1.00 0.00 C ATOM 477 O THR A 34 9.723 11.072 -0.746 1.00 0.00 O ATOM 478 CB THR A 34 7.758 10.334 -2.433 1.00 0.00 C ATOM 479 OG1 THR A 34 7.266 10.767 -1.160 1.00 0.00 O ATOM 480 CG2 THR A 34 6.636 9.671 -3.217 1.00 0.00 C ATOM 0 H THR A 34 7.598 8.020 -1.354 1.00 0.00 H new ATOM 0 HA THR A 34 9.475 9.263 -3.184 1.00 0.00 H new ATOM 0 HB THR A 34 8.113 11.196 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.949 11.308 -0.712 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.813 10.375 -3.340 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.006 9.370 -4.197 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.284 8.792 -2.676 1.00 0.00 H new ATOM 488 N GLY A 35 10.865 9.134 -0.782 1.00 0.00 N ATOM 489 CA GLY A 35 11.819 9.576 0.218 1.00 0.00 C ATOM 490 C GLY A 35 12.574 8.423 0.848 1.00 0.00 C ATOM 491 O GLY A 35 12.689 8.341 2.071 1.00 0.00 O ATOM 0 H GLY A 35 11.017 8.188 -1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 35 12.529 10.264 -0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.295 10.131 0.996 1.00 0.00 H new ATOM 495 N VAL A 36 13.089 7.527 0.012 1.00 0.00 N ATOM 496 CA VAL A 36 13.836 6.372 0.495 1.00 0.00 C ATOM 497 C VAL A 36 15.065 6.112 -0.369 1.00 0.00 C ATOM 498 O VAL A 36 15.057 6.369 -1.574 1.00 0.00 O ATOM 499 CB VAL A 36 12.960 5.105 0.516 1.00 0.00 C ATOM 500 CG1 VAL A 36 12.508 4.745 -0.891 1.00 0.00 C ATOM 501 CG2 VAL A 36 13.713 3.948 1.156 1.00 0.00 C ATOM 0 H VAL A 36 13.002 7.579 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 36 14.152 6.603 1.512 1.00 0.00 H new ATOM 0 HB VAL A 36 12.073 5.307 1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 36 11.890 3.848 -0.856 1.00 0.00 H new ATOM 0 HG12 VAL A 36 11.929 5.568 -1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 36 13.381 4.561 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 36 13.080 3.061 1.163 1.00 0.00 H new ATOM 0 HG22 VAL A 36 14.619 3.743 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 36 13.981 4.210 2.179 1.00 0.00 H new ATOM 511 N LYS A 37 16.122 5.601 0.253 1.00 0.00 N ATOM 512 CA LYS A 37 17.360 5.304 -0.459 1.00 0.00 C ATOM 513 C LYS A 37 17.789 3.859 -0.224 1.00 0.00 C ATOM 514 O LYS A 37 17.662 3.320 0.876 1.00 0.00 O ATOM 515 CB LYS A 37 18.470 6.256 -0.011 1.00 0.00 C ATOM 516 CG LYS A 37 18.764 6.191 1.478 1.00 0.00 C ATOM 517 CD LYS A 37 19.832 5.157 1.791 1.00 0.00 C ATOM 518 CE LYS A 37 21.226 5.761 1.737 1.00 0.00 C ATOM 519 NZ LYS A 37 21.778 5.760 0.353 1.00 0.00 N ATOM 0 H LYS A 37 16.146 5.384 1.249 1.00 0.00 H new ATOM 0 HA LYS A 37 17.180 5.442 -1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.381 6.024 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.190 7.276 -0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.091 7.170 1.828 1.00 0.00 H new ATOM 0 HG3 LYS A 37 17.850 5.947 2.020 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.654 4.737 2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 37 19.763 4.334 1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 37 21.194 6.783 2.114 1.00 0.00 H new ATOM 0 HE3 LYS A 37 21.891 5.200 2.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 22.817 5.783 0.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 21.470 4.899 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 21.433 6.597 -0.159 1.00 0.00 H new ATOM 533 N PRO A 38 18.310 3.217 -1.280 1.00 0.00 N ATOM 534 CA PRO A 38 18.771 1.827 -1.212 1.00 0.00 C ATOM 535 C PRO A 38 20.034 1.675 -0.372 1.00 0.00 C ATOM 536 O PRO A 38 20.670 2.663 -0.006 1.00 0.00 O ATOM 537 CB PRO A 38 19.056 1.476 -2.674 1.00 0.00 C ATOM 538 CG PRO A 38 19.346 2.783 -3.328 1.00 0.00 C ATOM 539 CD PRO A 38 18.491 3.798 -2.620 1.00 0.00 C ATOM 0 HA PRO A 38 18.035 1.177 -0.739 1.00 0.00 H new ATOM 0 HB2 PRO A 38 19.902 0.794 -2.760 1.00 0.00 H new ATOM 0 HB3 PRO A 38 18.201 0.983 -3.137 1.00 0.00 H new ATOM 0 HG2 PRO A 38 20.403 3.036 -3.244 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.111 2.748 -4.392 1.00 0.00 H new ATOM 0 HD2 PRO A 38 18.979 4.772 -2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 38 17.537 3.943 -3.127 1.00 0.00 H new ATOM 547 N SER A 39 20.392 0.431 -0.069 1.00 0.00 N ATOM 548 CA SER A 39 21.578 0.150 0.731 1.00 0.00 C ATOM 549 C SER A 39 22.793 0.892 0.182 1.00 0.00 C ATOM 550 O SER A 39 22.693 1.631 -0.797 1.00 0.00 O ATOM 551 CB SER A 39 21.856 -1.354 0.760 1.00 0.00 C ATOM 552 OG SER A 39 22.662 -1.703 1.871 1.00 0.00 O ATOM 0 H SER A 39 19.877 -0.398 -0.366 1.00 0.00 H new ATOM 0 HA SER A 39 21.390 0.497 1.747 1.00 0.00 H new ATOM 0 HB2 SER A 39 20.914 -1.900 0.805 1.00 0.00 H new ATOM 0 HB3 SER A 39 22.354 -1.653 -0.162 1.00 0.00 H new ATOM 0 HG SER A 39 22.823 -2.670 1.867 1.00 0.00 H new ATOM 558 N GLY A 40 23.941 0.689 0.820 1.00 0.00 N ATOM 559 CA GLY A 40 25.160 1.346 0.382 1.00 0.00 C ATOM 560 C GLY A 40 25.245 1.462 -1.127 1.00 0.00 C ATOM 561 O GLY A 40 24.772 0.598 -1.865 1.00 0.00 O ATOM 0 H GLY A 40 24.050 0.082 1.632 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.212 2.341 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 40 26.022 0.789 0.750 1.00 0.00 H new ATOM 565 N PRO A 41 25.860 2.554 -1.606 1.00 0.00 N ATOM 566 CA PRO A 41 26.019 2.807 -3.041 1.00 0.00 C ATOM 567 C PRO A 41 27.006 1.845 -3.693 1.00 0.00 C ATOM 568 O PRO A 41 27.288 1.945 -4.887 1.00 0.00 O ATOM 569 CB PRO A 41 26.556 4.240 -3.091 1.00 0.00 C ATOM 570 CG PRO A 41 27.230 4.437 -1.777 1.00 0.00 C ATOM 571 CD PRO A 41 26.447 3.625 -0.783 1.00 0.00 C ATOM 0 HA PRO A 41 25.085 2.668 -3.586 1.00 0.00 H new ATOM 0 HB2 PRO A 41 27.254 4.373 -3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 41 25.750 4.960 -3.235 1.00 0.00 H new ATOM 0 HG2 PRO A 41 28.268 4.108 -1.818 1.00 0.00 H new ATOM 0 HG3 PRO A 41 27.240 5.491 -1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 41 27.088 3.223 0.002 1.00 0.00 H new ATOM 0 HD3 PRO A 41 25.678 4.222 -0.292 1.00 0.00 H new ATOM 579 N SER A 42 27.528 0.913 -2.902 1.00 0.00 N ATOM 580 CA SER A 42 28.486 -0.065 -3.402 1.00 0.00 C ATOM 581 C SER A 42 27.781 -1.159 -4.199 1.00 0.00 C ATOM 582 O SER A 42 27.952 -2.348 -3.928 1.00 0.00 O ATOM 583 CB SER A 42 29.266 -0.686 -2.242 1.00 0.00 C ATOM 584 OG SER A 42 30.538 -1.144 -2.669 1.00 0.00 O ATOM 0 H SER A 42 27.303 0.815 -1.912 1.00 0.00 H new ATOM 0 HA SER A 42 29.182 0.451 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 42 29.389 0.050 -1.447 1.00 0.00 H new ATOM 0 HB3 SER A 42 28.699 -1.517 -1.822 1.00 0.00 H new ATOM 0 HG SER A 42 31.017 -1.535 -1.909 1.00 0.00 H new ATOM 590 N SER A 43 26.986 -0.748 -5.182 1.00 0.00 N ATOM 591 CA SER A 43 26.251 -1.691 -6.016 1.00 0.00 C ATOM 592 C SER A 43 26.394 -1.336 -7.493 1.00 0.00 C ATOM 593 O SER A 43 25.458 -0.841 -8.118 1.00 0.00 O ATOM 594 CB SER A 43 24.772 -1.705 -5.625 1.00 0.00 C ATOM 595 OG SER A 43 24.017 -2.509 -6.514 1.00 0.00 O ATOM 0 H SER A 43 26.835 0.232 -5.420 1.00 0.00 H new ATOM 0 HA SER A 43 26.672 -2.684 -5.856 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.665 -2.083 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.382 -0.687 -5.630 1.00 0.00 H new ATOM 0 HG SER A 43 24.103 -2.158 -7.425 1.00 0.00 H new ATOM 601 N GLY A 44 27.576 -1.594 -8.045 1.00 0.00 N ATOM 602 CA GLY A 44 27.822 -1.296 -9.444 1.00 0.00 C ATOM 603 C GLY A 44 28.337 -2.499 -10.211 1.00 0.00 C ATOM 604 O GLY A 44 27.765 -3.580 -10.083 1.00 0.00 O ATOM 0 H GLY A 44 28.367 -2.004 -7.548 1.00 0.00 H new ATOM 0 HA2 GLY A 44 26.900 -0.943 -9.905 1.00 0.00 H new ATOM 0 HA3 GLY A 44 28.546 -0.485 -9.518 1.00 0.00 H new TER 608 GLY A 44 HETATM 609 ZN ZN A 201 3.388 1.575 -2.518 1.00 0.00 ZN