USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 510 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0491 USER MOD Single : A 3 SER OG : rot 6:sc= 1.04 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 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.34! K(o=-0.34!,f=-1.3) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 66:sc= 0.00154 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 7:sc= 1.1 USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.217) USER MOD Single : A 48 CYS SG : rot 170:sc= -0.641 USER MOD Single : A 51 HIS : no HD1:sc= -0.0308 X(o=-0.031,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.0395 X(o=-0.04,f=-0.25) USER MOD Single : A 63 GLN : amide:sc= -0.0405 X(o=-0.04,f=-0.042) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.114 3.392 -10.637 1.00 0.00 N ATOM 2 CA GLY A 1 23.681 3.326 -10.422 1.00 0.00 C ATOM 3 C GLY A 1 22.904 3.210 -11.719 1.00 0.00 C ATOM 4 O GLY A 1 23.161 3.946 -12.671 1.00 0.00 O ATOM 0 H1 GLY A 1 25.599 3.470 -9.721 1.00 0.00 H new ATOM 0 H2 GLY A 1 25.432 2.530 -11.124 1.00 0.00 H new ATOM 0 H3 GLY A 1 25.340 4.223 -11.220 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.451 2.471 -9.787 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.356 4.218 -9.886 1.00 0.00 H new ATOM 8 N SER A 2 21.953 2.282 -11.756 1.00 0.00 N ATOM 9 CA SER A 2 21.140 2.069 -12.948 1.00 0.00 C ATOM 10 C SER A 2 19.972 3.049 -12.991 1.00 0.00 C ATOM 11 O SER A 2 19.664 3.618 -14.038 1.00 0.00 O ATOM 12 CB SER A 2 20.617 0.631 -12.983 1.00 0.00 C ATOM 13 OG SER A 2 19.696 0.398 -11.932 1.00 0.00 O ATOM 0 H SER A 2 21.727 1.666 -10.975 1.00 0.00 H new ATOM 0 HA SER A 2 21.768 2.241 -13.822 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.136 0.439 -13.942 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.452 -0.065 -12.900 1.00 0.00 H new ATOM 0 HG SER A 2 19.375 -0.527 -11.977 1.00 0.00 H new ATOM 19 N SER A 3 19.325 3.239 -11.846 1.00 0.00 N ATOM 20 CA SER A 3 18.187 4.147 -11.752 1.00 0.00 C ATOM 21 C SER A 3 17.809 4.396 -10.295 1.00 0.00 C ATOM 22 O SER A 3 18.042 3.554 -9.429 1.00 0.00 O ATOM 23 CB SER A 3 16.988 3.576 -12.512 1.00 0.00 C ATOM 24 OG SER A 3 17.156 3.719 -13.912 1.00 0.00 O ATOM 0 H SER A 3 19.569 2.777 -10.970 1.00 0.00 H new ATOM 0 HA SER A 3 18.474 5.098 -12.202 1.00 0.00 H new ATOM 0 HB2 SER A 3 16.864 2.522 -12.263 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.078 4.087 -12.198 1.00 0.00 H new ATOM 0 HG SER A 3 18.054 4.063 -14.100 1.00 0.00 H new ATOM 30 N GLY A 4 17.223 5.560 -10.033 1.00 0.00 N ATOM 31 CA GLY A 4 16.822 5.901 -8.681 1.00 0.00 C ATOM 32 C GLY A 4 15.319 5.849 -8.492 1.00 0.00 C ATOM 33 O GLY A 4 14.631 6.858 -8.650 1.00 0.00 O ATOM 0 H GLY A 4 17.019 6.273 -10.733 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.297 5.215 -7.980 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.181 6.902 -8.440 1.00 0.00 H new ATOM 37 N SER A 5 14.806 4.670 -8.154 1.00 0.00 N ATOM 38 CA SER A 5 13.374 4.490 -7.948 1.00 0.00 C ATOM 39 C SER A 5 12.944 5.047 -6.595 1.00 0.00 C ATOM 40 O SER A 5 13.482 4.665 -5.555 1.00 0.00 O ATOM 41 CB SER A 5 13.006 3.008 -8.042 1.00 0.00 C ATOM 42 OG SER A 5 11.600 2.832 -8.072 1.00 0.00 O ATOM 0 H SER A 5 15.361 3.825 -8.017 1.00 0.00 H new ATOM 0 HA SER A 5 12.849 5.038 -8.730 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.449 2.576 -8.940 1.00 0.00 H new ATOM 0 HB3 SER A 5 13.425 2.471 -7.191 1.00 0.00 H new ATOM 0 HG SER A 5 11.391 1.877 -8.134 1.00 0.00 H new ATOM 48 N SER A 6 11.972 5.953 -6.616 1.00 0.00 N ATOM 49 CA SER A 6 11.472 6.567 -5.391 1.00 0.00 C ATOM 50 C SER A 6 10.536 5.617 -4.650 1.00 0.00 C ATOM 51 O SER A 6 9.329 5.608 -4.886 1.00 0.00 O ATOM 52 CB SER A 6 10.743 7.873 -5.712 1.00 0.00 C ATOM 53 OG SER A 6 11.618 8.813 -6.310 1.00 0.00 O ATOM 0 H SER A 6 11.515 6.278 -7.468 1.00 0.00 H new ATOM 0 HA SER A 6 12.325 6.784 -4.747 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.908 7.671 -6.383 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.323 8.293 -4.798 1.00 0.00 H new ATOM 0 HG SER A 6 11.127 9.638 -6.507 1.00 0.00 H new ATOM 59 N GLY A 7 11.104 4.818 -3.752 1.00 0.00 N ATOM 60 CA GLY A 7 10.307 3.875 -2.990 1.00 0.00 C ATOM 61 C GLY A 7 9.827 4.452 -1.673 1.00 0.00 C ATOM 62 O GLY A 7 10.626 4.714 -0.773 1.00 0.00 O ATOM 0 H GLY A 7 12.101 4.807 -3.539 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.446 3.569 -3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.896 2.979 -2.797 1.00 0.00 H new ATOM 66 N LEU A 8 8.519 4.654 -1.560 1.00 0.00 N ATOM 67 CA LEU A 8 7.932 5.207 -0.344 1.00 0.00 C ATOM 68 C LEU A 8 7.444 4.095 0.579 1.00 0.00 C ATOM 69 O LEU A 8 7.436 2.921 0.205 1.00 0.00 O ATOM 70 CB LEU A 8 6.773 6.142 -0.693 1.00 0.00 C ATOM 71 CG LEU A 8 7.154 7.578 -1.051 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.821 8.265 0.131 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.067 7.600 -2.268 1.00 0.00 C ATOM 0 H LEU A 8 7.844 4.443 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 8 8.703 5.774 0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.226 5.712 -1.532 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.087 6.170 0.154 1.00 0.00 H new ATOM 0 HG LEU A 8 6.243 8.125 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.085 9.286 -0.143 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.134 8.283 0.977 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.723 7.719 0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.328 8.631 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.975 7.037 -2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.553 7.149 -3.117 1.00 0.00 H new ATOM 85 N LEU A 9 7.035 4.472 1.786 1.00 0.00 N ATOM 86 CA LEU A 9 6.542 3.507 2.762 1.00 0.00 C ATOM 87 C LEU A 9 5.205 3.954 3.343 1.00 0.00 C ATOM 88 O LEU A 9 5.072 5.078 3.826 1.00 0.00 O ATOM 89 CB LEU A 9 7.563 3.322 3.886 1.00 0.00 C ATOM 90 CG LEU A 9 8.933 2.789 3.467 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.988 3.159 4.498 1.00 0.00 C ATOM 92 CD2 LEU A 9 8.882 1.280 3.272 1.00 0.00 C ATOM 0 H LEU A 9 7.035 5.439 2.112 1.00 0.00 H new ATOM 0 HA LEU A 9 6.395 2.555 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.705 4.282 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.141 2.641 4.625 1.00 0.00 H new ATOM 0 HG LEU A 9 9.205 3.249 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 9 10.957 2.771 4.183 1.00 0.00 H new ATOM 0 HD12 LEU A 9 10.044 4.244 4.589 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.721 2.728 5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.866 0.918 2.974 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.587 0.802 4.206 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.156 1.038 2.496 1.00 0.00 H new ATOM 104 N ALA A 10 4.217 3.066 3.294 1.00 0.00 N ATOM 105 CA ALA A 10 2.891 3.369 3.819 1.00 0.00 C ATOM 106 C ALA A 10 2.369 2.225 4.682 1.00 0.00 C ATOM 107 O ALA A 10 2.773 1.074 4.515 1.00 0.00 O ATOM 108 CB ALA A 10 1.925 3.657 2.679 1.00 0.00 C ATOM 0 H ALA A 10 4.310 2.131 2.896 1.00 0.00 H new ATOM 0 HA ALA A 10 2.969 4.257 4.447 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.939 3.882 3.086 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.284 4.511 2.105 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.859 2.785 2.029 1.00 0.00 H new ATOM 114 N ARG A 11 1.469 2.549 5.604 1.00 0.00 N ATOM 115 CA ARG A 11 0.892 1.549 6.495 1.00 0.00 C ATOM 116 C ARG A 11 -0.465 1.080 5.980 1.00 0.00 C ATOM 117 O ARG A 11 -1.072 1.725 5.124 1.00 0.00 O ATOM 118 CB ARG A 11 0.746 2.117 7.908 1.00 0.00 C ATOM 119 CG ARG A 11 0.309 1.086 8.936 1.00 0.00 C ATOM 120 CD ARG A 11 0.239 1.686 10.331 1.00 0.00 C ATOM 121 NE ARG A 11 -1.038 2.350 10.578 1.00 0.00 N ATOM 122 CZ ARG A 11 -1.430 2.766 11.777 1.00 0.00 C ATOM 123 NH1 ARG A 11 -0.648 2.589 12.833 1.00 0.00 N ATOM 124 NH2 ARG A 11 -2.607 3.362 11.922 1.00 0.00 N ATOM 0 H ARG A 11 1.123 3.497 5.754 1.00 0.00 H new ATOM 0 HA ARG A 11 1.566 0.693 6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.699 2.546 8.218 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.021 2.930 7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.667 0.687 8.661 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.007 0.249 8.933 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.388 0.900 11.071 1.00 0.00 H new ATOM 0 HD3 ARG A 11 1.051 2.402 10.459 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.663 2.503 9.787 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.258 2.132 12.726 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -0.952 2.910 13.752 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.211 3.501 11.112 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -2.907 3.681 12.843 1.00 0.00 H new ATOM 138 N ALA A 12 -0.936 -0.046 6.506 1.00 0.00 N ATOM 139 CA ALA A 12 -2.222 -0.600 6.101 1.00 0.00 C ATOM 140 C ALA A 12 -3.239 -0.511 7.233 1.00 0.00 C ATOM 141 O ALA A 12 -3.236 -1.333 8.150 1.00 0.00 O ATOM 142 CB ALA A 12 -2.056 -2.043 5.650 1.00 0.00 C ATOM 0 H ALA A 12 -0.446 -0.593 7.214 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.597 -0.010 5.264 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.024 -2.444 5.350 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.369 -2.083 4.805 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.656 -2.637 6.471 1.00 0.00 H new ATOM 148 N LEU A 13 -4.107 0.492 7.164 1.00 0.00 N ATOM 149 CA LEU A 13 -5.131 0.690 8.185 1.00 0.00 C ATOM 150 C LEU A 13 -6.163 -0.433 8.145 1.00 0.00 C ATOM 151 O LEU A 13 -6.853 -0.692 9.132 1.00 0.00 O ATOM 152 CB LEU A 13 -5.822 2.040 7.988 1.00 0.00 C ATOM 153 CG LEU A 13 -4.901 3.237 7.748 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.712 4.472 7.392 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.037 3.499 8.974 1.00 0.00 C ATOM 0 H LEU A 13 -4.123 1.181 6.412 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.644 0.677 9.160 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.504 1.956 7.142 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.430 2.246 8.869 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.246 3.004 6.909 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.039 5.313 7.225 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.287 4.281 6.486 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.393 4.709 8.210 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.388 4.354 8.786 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.676 3.711 9.831 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.428 2.620 9.184 1.00 0.00 H new ATOM 167 N TYR A 14 -6.263 -1.098 6.999 1.00 0.00 N ATOM 168 CA TYR A 14 -7.210 -2.192 6.830 1.00 0.00 C ATOM 169 C TYR A 14 -6.632 -3.280 5.930 1.00 0.00 C ATOM 170 O TYR A 14 -5.803 -3.006 5.062 1.00 0.00 O ATOM 171 CB TYR A 14 -8.523 -1.672 6.242 1.00 0.00 C ATOM 172 CG TYR A 14 -9.034 -0.419 6.916 1.00 0.00 C ATOM 173 CD1 TYR A 14 -9.873 -0.493 8.021 1.00 0.00 C ATOM 174 CD2 TYR A 14 -8.678 0.840 6.447 1.00 0.00 C ATOM 175 CE1 TYR A 14 -10.343 0.650 8.639 1.00 0.00 C ATOM 176 CE2 TYR A 14 -9.142 1.988 7.060 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.974 1.887 8.156 1.00 0.00 C ATOM 178 OH TYR A 14 -10.439 3.028 8.768 1.00 0.00 O ATOM 0 H TYR A 14 -5.699 -0.898 6.173 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.405 -2.624 7.812 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.381 -1.471 5.180 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.281 -2.452 6.321 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -10.163 -1.461 8.403 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.028 0.922 5.589 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.996 0.574 9.496 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.855 2.959 6.683 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.084 3.815 8.305 1.00 0.00 H new ATOM 188 N ASP A 15 -7.077 -4.513 6.143 1.00 0.00 N ATOM 189 CA ASP A 15 -6.606 -5.643 5.350 1.00 0.00 C ATOM 190 C ASP A 15 -7.323 -5.700 4.005 1.00 0.00 C ATOM 191 O ASP A 15 -8.537 -5.514 3.930 1.00 0.00 O ATOM 192 CB ASP A 15 -6.820 -6.952 6.112 1.00 0.00 C ATOM 193 CG ASP A 15 -8.177 -7.015 6.785 1.00 0.00 C ATOM 194 OD1 ASP A 15 -9.138 -6.433 6.239 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.279 -7.647 7.857 1.00 0.00 O ATOM 0 H ASP A 15 -7.763 -4.756 6.858 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.540 -5.508 5.167 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.720 -7.791 5.423 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.039 -7.063 6.864 1.00 0.00 H new ATOM 200 N ASN A 16 -6.563 -5.955 2.945 1.00 0.00 N ATOM 201 CA ASN A 16 -7.125 -6.034 1.602 1.00 0.00 C ATOM 202 C ASN A 16 -7.224 -7.484 1.138 1.00 0.00 C ATOM 203 O ASN A 16 -6.264 -8.248 1.246 1.00 0.00 O ATOM 204 CB ASN A 16 -6.270 -5.230 0.621 1.00 0.00 C ATOM 205 CG ASN A 16 -6.743 -5.378 -0.813 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.943 -5.389 -1.085 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.797 -5.493 -1.738 1.00 0.00 N ATOM 0 H ASN A 16 -5.556 -6.110 2.990 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.129 -5.611 1.630 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.293 -4.177 0.902 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.233 -5.557 0.694 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -6.054 -5.596 -2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.814 -5.479 -1.467 1.00 0.00 H new ATOM 214 N CYS A 17 -8.390 -7.856 0.622 1.00 0.00 N ATOM 215 CA CYS A 17 -8.615 -9.215 0.141 1.00 0.00 C ATOM 216 C CYS A 17 -8.749 -9.239 -1.378 1.00 0.00 C ATOM 217 O CYS A 17 -9.850 -9.264 -1.928 1.00 0.00 O ATOM 218 CB CYS A 17 -9.870 -9.805 0.786 1.00 0.00 C ATOM 219 SG CYS A 17 -9.743 -10.037 2.574 1.00 0.00 S ATOM 0 H CYS A 17 -9.194 -7.236 0.526 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.753 -9.821 0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -10.716 -9.151 0.575 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.087 -10.766 0.320 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.854 -10.538 3.027 1.00 0.00 H new ATOM 225 N PRO A 18 -7.602 -9.230 -2.074 1.00 0.00 N ATOM 226 CA PRO A 18 -7.565 -9.249 -3.539 1.00 0.00 C ATOM 227 C PRO A 18 -8.017 -10.588 -4.113 1.00 0.00 C ATOM 228 O PRO A 18 -8.173 -11.567 -3.382 1.00 0.00 O ATOM 229 CB PRO A 18 -6.089 -9.001 -3.859 1.00 0.00 C ATOM 230 CG PRO A 18 -5.354 -9.480 -2.655 1.00 0.00 C ATOM 231 CD PRO A 18 -6.254 -9.201 -1.483 1.00 0.00 C ATOM 0 HA PRO A 18 -8.240 -8.511 -3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.781 -9.544 -4.753 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.897 -7.945 -4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.131 -10.544 -2.731 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.401 -8.962 -2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.141 -9.953 -0.702 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.035 -8.235 -1.029 1.00 0.00 H new ATOM 239 N ASP A 19 -8.225 -10.624 -5.424 1.00 0.00 N ATOM 240 CA ASP A 19 -8.657 -11.844 -6.096 1.00 0.00 C ATOM 241 C ASP A 19 -7.686 -12.225 -7.210 1.00 0.00 C ATOM 242 O ASP A 19 -7.551 -13.400 -7.554 1.00 0.00 O ATOM 243 CB ASP A 19 -10.064 -11.665 -6.669 1.00 0.00 C ATOM 244 CG ASP A 19 -10.048 -11.138 -8.091 1.00 0.00 C ATOM 245 OD1 ASP A 19 -9.493 -10.041 -8.311 1.00 0.00 O ATOM 246 OD2 ASP A 19 -10.588 -11.824 -8.983 1.00 0.00 O ATOM 0 H ASP A 19 -8.102 -9.823 -6.043 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.672 -12.648 -5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.587 -12.621 -6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.626 -10.978 -6.036 1.00 0.00 H new ATOM 251 N CYS A 20 -7.014 -11.225 -7.769 1.00 0.00 N ATOM 252 CA CYS A 20 -6.057 -11.454 -8.845 1.00 0.00 C ATOM 253 C CYS A 20 -4.656 -11.018 -8.428 1.00 0.00 C ATOM 254 O CYS A 20 -4.488 -10.015 -7.734 1.00 0.00 O ATOM 255 CB CYS A 20 -6.485 -10.702 -10.106 1.00 0.00 C ATOM 256 SG CYS A 20 -7.651 -11.610 -11.147 1.00 0.00 S ATOM 0 H CYS A 20 -7.114 -10.248 -7.495 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.037 -12.523 -9.059 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.937 -9.754 -9.815 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.598 -10.465 -10.694 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.777 -11.755 -10.513 1.00 0.00 H new ATOM 262 N SER A 21 -3.653 -11.778 -8.856 1.00 0.00 N ATOM 263 CA SER A 21 -2.267 -11.473 -8.524 1.00 0.00 C ATOM 264 C SER A 21 -1.997 -9.976 -8.640 1.00 0.00 C ATOM 265 O SER A 21 -1.307 -9.391 -7.805 1.00 0.00 O ATOM 266 CB SER A 21 -1.318 -12.247 -9.441 1.00 0.00 C ATOM 267 OG SER A 21 -1.200 -13.598 -9.030 1.00 0.00 O ATOM 0 H SER A 21 -3.775 -12.610 -9.434 1.00 0.00 H new ATOM 0 HA SER A 21 -2.091 -11.777 -7.492 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.685 -12.206 -10.467 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.336 -11.775 -9.435 1.00 0.00 H new ATOM 0 HG SER A 21 -0.590 -14.071 -9.633 1.00 0.00 H new ATOM 273 N ASP A 22 -2.545 -9.362 -9.683 1.00 0.00 N ATOM 274 CA ASP A 22 -2.365 -7.933 -9.910 1.00 0.00 C ATOM 275 C ASP A 22 -2.375 -7.167 -8.591 1.00 0.00 C ATOM 276 O ASP A 22 -1.386 -6.534 -8.224 1.00 0.00 O ATOM 277 CB ASP A 22 -3.463 -7.399 -10.832 1.00 0.00 C ATOM 278 CG ASP A 22 -3.315 -5.916 -11.110 1.00 0.00 C ATOM 279 OD1 ASP A 22 -2.218 -5.500 -11.537 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.296 -5.172 -10.901 1.00 0.00 O ATOM 0 H ASP A 22 -3.117 -9.832 -10.385 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.396 -7.786 -10.387 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -3.440 -7.946 -11.774 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -4.437 -7.585 -10.379 1.00 0.00 H new ATOM 285 N GLU A 23 -3.499 -7.230 -7.884 1.00 0.00 N ATOM 286 CA GLU A 23 -3.636 -6.541 -6.606 1.00 0.00 C ATOM 287 C GLU A 23 -2.693 -7.134 -5.564 1.00 0.00 C ATOM 288 O GLU A 23 -1.967 -8.090 -5.839 1.00 0.00 O ATOM 289 CB GLU A 23 -5.081 -6.625 -6.110 1.00 0.00 C ATOM 290 CG GLU A 23 -6.014 -5.631 -6.781 1.00 0.00 C ATOM 291 CD GLU A 23 -7.364 -5.544 -6.096 1.00 0.00 C ATOM 292 OE1 GLU A 23 -7.393 -5.343 -4.864 1.00 0.00 O ATOM 293 OE2 GLU A 23 -8.392 -5.677 -6.793 1.00 0.00 O ATOM 0 H GLU A 23 -4.327 -7.750 -8.174 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.371 -5.494 -6.756 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.456 -7.634 -6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.097 -6.456 -5.033 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.548 -4.646 -6.784 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.157 -5.919 -7.823 1.00 0.00 H new ATOM 300 N LEU A 24 -2.709 -6.560 -4.366 1.00 0.00 N ATOM 301 CA LEU A 24 -1.855 -7.031 -3.281 1.00 0.00 C ATOM 302 C LEU A 24 -2.688 -7.433 -2.068 1.00 0.00 C ATOM 303 O LEU A 24 -3.734 -6.843 -1.797 1.00 0.00 O ATOM 304 CB LEU A 24 -0.852 -5.945 -2.887 1.00 0.00 C ATOM 305 CG LEU A 24 0.460 -6.434 -2.273 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.539 -5.371 -2.403 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.257 -6.816 -0.814 1.00 0.00 C ATOM 0 H LEU A 24 -3.304 -5.768 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.312 -7.908 -3.633 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.618 -5.356 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.334 -5.274 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 24 0.785 -7.321 -2.817 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.465 -5.737 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.704 -5.147 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.222 -4.466 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.201 -7.162 -0.394 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.092 -5.947 -0.256 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.484 -7.613 -0.746 1.00 0.00 H new ATOM 319 N ALA A 25 -2.216 -8.439 -1.339 1.00 0.00 N ATOM 320 CA ALA A 25 -2.914 -8.917 -0.153 1.00 0.00 C ATOM 321 C ALA A 25 -2.100 -8.651 1.109 1.00 0.00 C ATOM 322 O ALA A 25 -1.108 -9.331 1.374 1.00 0.00 O ATOM 323 CB ALA A 25 -3.221 -10.402 -0.282 1.00 0.00 C ATOM 0 H ALA A 25 -1.352 -8.939 -1.550 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.853 -8.369 -0.070 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.743 -10.745 0.612 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.851 -10.569 -1.156 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.290 -10.958 -0.394 1.00 0.00 H new ATOM 329 N PHE A 26 -2.524 -7.658 1.883 1.00 0.00 N ATOM 330 CA PHE A 26 -1.832 -7.301 3.116 1.00 0.00 C ATOM 331 C PHE A 26 -2.809 -7.222 4.285 1.00 0.00 C ATOM 332 O PHE A 26 -3.995 -6.950 4.099 1.00 0.00 O ATOM 333 CB PHE A 26 -1.107 -5.964 2.951 1.00 0.00 C ATOM 334 CG PHE A 26 -2.000 -4.853 2.476 1.00 0.00 C ATOM 335 CD1 PHE A 26 -2.748 -4.113 3.378 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.092 -4.549 1.127 1.00 0.00 C ATOM 337 CE1 PHE A 26 -3.570 -3.091 2.945 1.00 0.00 C ATOM 338 CE2 PHE A 26 -2.912 -3.527 0.688 1.00 0.00 C ATOM 339 CZ PHE A 26 -3.653 -2.798 1.598 1.00 0.00 C ATOM 0 H PHE A 26 -3.343 -7.086 1.678 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.099 -8.079 3.330 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.663 -5.680 3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.288 -6.089 2.243 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.687 -4.338 4.433 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.517 -5.117 0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.147 -2.522 3.659 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.974 -3.298 -0.366 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.296 -2.000 1.257 1.00 0.00 H new ATOM 349 N SER A 27 -2.303 -7.462 5.490 1.00 0.00 N ATOM 350 CA SER A 27 -3.131 -7.422 6.690 1.00 0.00 C ATOM 351 C SER A 27 -2.908 -6.125 7.461 1.00 0.00 C ATOM 352 O SER A 27 -1.924 -5.420 7.240 1.00 0.00 O ATOM 353 CB SER A 27 -2.823 -8.622 7.587 1.00 0.00 C ATOM 354 OG SER A 27 -3.577 -9.757 7.198 1.00 0.00 O ATOM 0 H SER A 27 -1.323 -7.686 5.662 1.00 0.00 H new ATOM 0 HA SER A 27 -4.176 -7.466 6.383 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.759 -8.854 7.537 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.046 -8.371 8.624 1.00 0.00 H new ATOM 0 HG SER A 27 -3.361 -10.511 7.786 1.00 0.00 H new ATOM 360 N ARG A 28 -3.830 -5.818 8.368 1.00 0.00 N ATOM 361 CA ARG A 28 -3.736 -4.605 9.172 1.00 0.00 C ATOM 362 C ARG A 28 -2.418 -4.562 9.939 1.00 0.00 C ATOM 363 O ARG A 28 -2.008 -5.551 10.545 1.00 0.00 O ATOM 364 CB ARG A 28 -4.910 -4.523 10.149 1.00 0.00 C ATOM 365 CG ARG A 28 -4.826 -3.345 11.105 1.00 0.00 C ATOM 366 CD ARG A 28 -4.082 -3.714 12.379 1.00 0.00 C ATOM 367 NE ARG A 28 -4.048 -2.608 13.333 1.00 0.00 N ATOM 368 CZ ARG A 28 -5.120 -2.157 13.974 1.00 0.00 C ATOM 369 NH1 ARG A 28 -6.304 -2.715 13.766 1.00 0.00 N ATOM 370 NH2 ARG A 28 -5.008 -1.147 14.827 1.00 0.00 N ATOM 0 H ARG A 28 -4.650 -6.392 8.564 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.772 -3.749 8.498 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.839 -4.455 9.583 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.956 -5.446 10.727 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.321 -2.513 10.615 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.831 -3.005 11.355 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.561 -4.577 12.841 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.063 -4.010 12.131 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.152 -2.157 13.517 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.393 -3.493 13.112 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.126 -2.367 14.260 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.098 -0.716 14.991 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.832 -0.801 15.319 1.00 0.00 H new ATOM 384 N GLY A 29 -1.758 -3.408 9.908 1.00 0.00 N ATOM 385 CA GLY A 29 -0.493 -3.258 10.603 1.00 0.00 C ATOM 386 C GLY A 29 0.680 -3.769 9.790 1.00 0.00 C ATOM 387 O GLY A 29 1.640 -4.305 10.342 1.00 0.00 O ATOM 0 H GLY A 29 -2.077 -2.575 9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.335 -2.206 10.841 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.536 -3.796 11.550 1.00 0.00 H new ATOM 391 N ASP A 30 0.602 -3.602 8.474 1.00 0.00 N ATOM 392 CA ASP A 30 1.666 -4.051 7.582 1.00 0.00 C ATOM 393 C ASP A 30 2.181 -2.897 6.728 1.00 0.00 C ATOM 394 O ASP A 30 1.430 -2.301 5.955 1.00 0.00 O ATOM 395 CB ASP A 30 1.164 -5.183 6.684 1.00 0.00 C ATOM 396 CG ASP A 30 1.030 -6.497 7.429 1.00 0.00 C ATOM 397 OD1 ASP A 30 2.060 -7.014 7.911 1.00 0.00 O ATOM 398 OD2 ASP A 30 -0.105 -7.007 7.531 1.00 0.00 O ATOM 0 H ASP A 30 -0.186 -3.159 8.001 1.00 0.00 H new ATOM 0 HA ASP A 30 2.488 -4.422 8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.197 -4.907 6.263 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.851 -5.311 5.848 1.00 0.00 H new ATOM 403 N ILE A 31 3.465 -2.588 6.873 1.00 0.00 N ATOM 404 CA ILE A 31 4.080 -1.506 6.114 1.00 0.00 C ATOM 405 C ILE A 31 4.367 -1.934 4.679 1.00 0.00 C ATOM 406 O ILE A 31 5.250 -2.756 4.430 1.00 0.00 O ATOM 407 CB ILE A 31 5.391 -1.033 6.769 1.00 0.00 C ATOM 408 CG1 ILE A 31 5.093 -0.240 8.044 1.00 0.00 C ATOM 409 CG2 ILE A 31 6.198 -0.192 5.792 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.287 -1.015 9.062 1.00 0.00 C ATOM 0 H ILE A 31 4.099 -3.071 7.509 1.00 0.00 H new ATOM 0 HA ILE A 31 3.368 -0.681 6.108 1.00 0.00 H new ATOM 0 HB ILE A 31 5.982 -1.909 7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 31 6.034 0.070 8.498 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.552 0.668 7.779 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.122 0.135 6.270 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.436 -0.787 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.615 0.680 5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.113 -0.392 9.939 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.330 -1.303 8.626 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.836 -1.910 9.356 1.00 0.00 H new ATOM 422 N LEU A 32 3.617 -1.372 3.738 1.00 0.00 N ATOM 423 CA LEU A 32 3.792 -1.694 2.326 1.00 0.00 C ATOM 424 C LEU A 32 4.767 -0.725 1.664 1.00 0.00 C ATOM 425 O LEU A 32 4.660 0.490 1.827 1.00 0.00 O ATOM 426 CB LEU A 32 2.445 -1.654 1.603 1.00 0.00 C ATOM 427 CG LEU A 32 1.663 -2.968 1.566 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.540 -4.095 1.045 1.00 0.00 C ATOM 429 CD2 LEU A 32 1.123 -3.305 2.948 1.00 0.00 C ATOM 0 H LEU A 32 2.882 -0.691 3.927 1.00 0.00 H new ATOM 0 HA LEU A 32 4.205 -2.700 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.822 -0.897 2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.616 -1.327 0.577 1.00 0.00 H new ATOM 0 HG LEU A 32 0.819 -2.848 0.887 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.967 -5.022 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.879 -3.856 0.037 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.404 -4.216 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.569 -4.243 2.904 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.952 -3.406 3.648 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.460 -2.508 3.284 1.00 0.00 H new ATOM 441 N THR A 33 5.717 -1.272 0.912 1.00 0.00 N ATOM 442 CA THR A 33 6.710 -0.458 0.223 1.00 0.00 C ATOM 443 C THR A 33 6.194 0.009 -1.133 1.00 0.00 C ATOM 444 O THR A 33 6.250 -0.730 -2.117 1.00 0.00 O ATOM 445 CB THR A 33 8.027 -1.230 0.020 1.00 0.00 C ATOM 446 OG1 THR A 33 8.549 -1.650 1.285 1.00 0.00 O ATOM 447 CG2 THR A 33 9.055 -0.368 -0.697 1.00 0.00 C ATOM 0 H THR A 33 5.819 -2.276 0.765 1.00 0.00 H new ATOM 0 HA THR A 33 6.900 0.410 0.855 1.00 0.00 H new ATOM 0 HB THR A 33 7.818 -2.105 -0.595 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.385 -2.142 1.147 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.977 -0.935 -0.829 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.667 -0.074 -1.672 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.259 0.524 -0.104 1.00 0.00 H new ATOM 455 N ILE A 34 5.691 1.238 -1.179 1.00 0.00 N ATOM 456 CA ILE A 34 5.167 1.803 -2.415 1.00 0.00 C ATOM 457 C ILE A 34 6.267 1.956 -3.460 1.00 0.00 C ATOM 458 O ILE A 34 6.999 2.947 -3.467 1.00 0.00 O ATOM 459 CB ILE A 34 4.510 3.175 -2.173 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.446 3.070 -1.079 1.00 0.00 C ATOM 461 CG2 ILE A 34 3.901 3.706 -3.463 1.00 0.00 C ATOM 462 CD1 ILE A 34 3.164 4.382 -0.382 1.00 0.00 C ATOM 0 H ILE A 34 5.636 1.861 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 34 4.413 1.108 -2.784 1.00 0.00 H new ATOM 0 HB ILE A 34 5.277 3.875 -1.841 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.521 2.695 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.768 2.337 -0.339 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.441 4.676 -3.276 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.681 3.814 -4.216 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.144 3.009 -3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.400 4.232 0.381 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.077 4.749 0.086 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.811 5.112 -1.110 1.00 0.00 H new ATOM 474 N LEU A 35 6.377 0.970 -4.344 1.00 0.00 N ATOM 475 CA LEU A 35 7.387 0.995 -5.396 1.00 0.00 C ATOM 476 C LEU A 35 7.223 2.228 -6.279 1.00 0.00 C ATOM 477 O LEU A 35 8.201 2.891 -6.622 1.00 0.00 O ATOM 478 CB LEU A 35 7.296 -0.273 -6.247 1.00 0.00 C ATOM 479 CG LEU A 35 7.233 -1.593 -5.480 1.00 0.00 C ATOM 480 CD1 LEU A 35 6.593 -2.677 -6.334 1.00 0.00 C ATOM 481 CD2 LEU A 35 8.624 -2.017 -5.031 1.00 0.00 C ATOM 0 H LEU A 35 5.779 0.144 -4.353 1.00 0.00 H new ATOM 0 HA LEU A 35 8.368 1.038 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.410 -0.200 -6.878 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.159 -0.303 -6.912 1.00 0.00 H new ATOM 0 HG LEU A 35 6.616 -1.446 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.557 -3.610 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.581 -2.377 -6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.182 -2.822 -7.239 1.00 0.00 H new ATOM 0 HD21 LEU A 35 8.559 -2.959 -4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.265 -2.146 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.046 -1.250 -4.381 1.00 0.00 H new ATOM 493 N GLU A 36 5.980 2.528 -6.642 1.00 0.00 N ATOM 494 CA GLU A 36 5.689 3.682 -7.484 1.00 0.00 C ATOM 495 C GLU A 36 4.270 4.189 -7.241 1.00 0.00 C ATOM 496 O GLU A 36 3.306 3.428 -7.322 1.00 0.00 O ATOM 497 CB GLU A 36 5.867 3.323 -8.961 1.00 0.00 C ATOM 498 CG GLU A 36 4.964 2.193 -9.426 1.00 0.00 C ATOM 499 CD GLU A 36 5.565 1.398 -10.568 1.00 0.00 C ATOM 500 OE1 GLU A 36 6.125 2.020 -11.495 1.00 0.00 O ATOM 501 OE2 GLU A 36 5.475 0.152 -10.535 1.00 0.00 O ATOM 0 H GLU A 36 5.159 1.989 -6.366 1.00 0.00 H new ATOM 0 HA GLU A 36 6.390 4.475 -7.223 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.670 4.207 -9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.906 3.042 -9.135 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.764 1.524 -8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.005 2.605 -9.740 1.00 0.00 H new ATOM 508 N GLN A 37 4.151 5.479 -6.943 1.00 0.00 N ATOM 509 CA GLN A 37 2.851 6.087 -6.687 1.00 0.00 C ATOM 510 C GLN A 37 2.125 6.391 -7.993 1.00 0.00 C ATOM 511 O GLN A 37 0.904 6.264 -8.081 1.00 0.00 O ATOM 512 CB GLN A 37 3.016 7.370 -5.871 1.00 0.00 C ATOM 513 CG GLN A 37 3.456 7.126 -4.436 1.00 0.00 C ATOM 514 CD GLN A 37 3.517 8.402 -3.620 1.00 0.00 C ATOM 515 OE1 GLN A 37 3.798 9.478 -4.148 1.00 0.00 O ATOM 516 NE2 GLN A 37 3.254 8.289 -2.323 1.00 0.00 N ATOM 0 H GLN A 37 4.939 6.123 -6.873 1.00 0.00 H new ATOM 0 HA GLN A 37 2.252 5.377 -6.117 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.747 8.012 -6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.070 7.911 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.766 6.429 -3.962 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.438 6.652 -4.436 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.025 7.377 -1.926 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.281 9.114 -1.723 1.00 0.00 H new ATOM 525 N HIS A 38 2.885 6.794 -9.007 1.00 0.00 N ATOM 526 CA HIS A 38 2.314 7.116 -10.310 1.00 0.00 C ATOM 527 C HIS A 38 1.890 5.849 -11.046 1.00 0.00 C ATOM 528 O HIS A 38 2.725 5.122 -11.584 1.00 0.00 O ATOM 529 CB HIS A 38 3.323 7.896 -11.153 1.00 0.00 C ATOM 530 CG HIS A 38 3.233 9.381 -10.974 1.00 0.00 C ATOM 531 ND1 HIS A 38 4.096 10.096 -10.171 1.00 0.00 N ATOM 532 CD2 HIS A 38 2.376 10.285 -11.502 1.00 0.00 C ATOM 533 CE1 HIS A 38 3.773 11.376 -10.211 1.00 0.00 C ATOM 534 NE2 HIS A 38 2.732 11.518 -11.012 1.00 0.00 N ATOM 0 H HIS A 38 3.897 6.905 -8.951 1.00 0.00 H new ATOM 0 HA HIS A 38 1.431 7.734 -10.149 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.330 7.568 -10.895 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.168 7.655 -12.205 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.563 10.076 -12.182 1.00 0.00 H new ATOM 0 HE1 HIS A 38 4.274 12.171 -9.679 1.00 0.00 H new ATOM 0 HE2 HIS A 38 2.268 12.400 -11.231 1.00 0.00 H new ATOM 543 N VAL A 39 0.587 5.589 -11.064 1.00 0.00 N ATOM 544 CA VAL A 39 0.051 4.410 -11.734 1.00 0.00 C ATOM 545 C VAL A 39 -1.069 4.786 -12.697 1.00 0.00 C ATOM 546 O VAL A 39 -2.235 4.897 -12.319 1.00 0.00 O ATOM 547 CB VAL A 39 -0.483 3.382 -10.719 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.744 2.047 -11.398 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.493 3.219 -9.563 1.00 0.00 C ATOM 0 H VAL A 39 -0.118 6.179 -10.622 1.00 0.00 H new ATOM 0 HA VAL A 39 0.873 3.964 -12.294 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.428 3.750 -10.319 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.121 1.334 -10.665 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.483 2.179 -12.189 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.184 1.670 -11.828 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.100 2.489 -8.855 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.454 2.874 -9.944 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.625 4.177 -9.060 1.00 0.00 H new ATOM 559 N PRO A 40 -0.709 4.988 -13.973 1.00 0.00 N ATOM 560 CA PRO A 40 -1.670 5.354 -15.018 1.00 0.00 C ATOM 561 C PRO A 40 -2.616 4.208 -15.363 1.00 0.00 C ATOM 562 O PRO A 40 -3.797 4.426 -15.628 1.00 0.00 O ATOM 563 CB PRO A 40 -0.780 5.691 -16.216 1.00 0.00 C ATOM 564 CG PRO A 40 0.474 4.920 -15.986 1.00 0.00 C ATOM 565 CD PRO A 40 0.663 4.873 -14.495 1.00 0.00 C ATOM 0 HA PRO A 40 -2.318 6.174 -14.707 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.254 5.404 -17.155 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.582 6.761 -16.273 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.396 3.915 -16.401 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.323 5.401 -16.472 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.136 3.943 -14.179 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.296 5.688 -14.144 1.00 0.00 H new ATOM 573 N GLU A 41 -2.088 2.988 -15.357 1.00 0.00 N ATOM 574 CA GLU A 41 -2.886 1.809 -15.669 1.00 0.00 C ATOM 575 C GLU A 41 -4.021 1.639 -14.664 1.00 0.00 C ATOM 576 O GLU A 41 -4.976 0.901 -14.909 1.00 0.00 O ATOM 577 CB GLU A 41 -2.006 0.558 -15.679 1.00 0.00 C ATOM 578 CG GLU A 41 -0.842 0.639 -16.652 1.00 0.00 C ATOM 579 CD GLU A 41 -1.237 0.261 -18.067 1.00 0.00 C ATOM 580 OE1 GLU A 41 -2.045 0.995 -18.673 1.00 0.00 O ATOM 581 OE2 GLU A 41 -0.739 -0.769 -18.567 1.00 0.00 O ATOM 0 H GLU A 41 -1.111 2.791 -15.139 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.319 1.947 -16.660 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.618 0.390 -14.675 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.621 -0.306 -15.932 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.441 1.652 -16.649 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.043 -0.021 -16.313 1.00 0.00 H new ATOM 588 N SER A 42 -3.909 2.325 -13.532 1.00 0.00 N ATOM 589 CA SER A 42 -4.923 2.247 -12.486 1.00 0.00 C ATOM 590 C SER A 42 -4.806 3.427 -11.527 1.00 0.00 C ATOM 591 O SER A 42 -3.830 3.544 -10.787 1.00 0.00 O ATOM 592 CB SER A 42 -4.790 0.933 -11.715 1.00 0.00 C ATOM 593 OG SER A 42 -5.242 -0.163 -12.492 1.00 0.00 O ATOM 0 H SER A 42 -3.126 2.942 -13.315 1.00 0.00 H new ATOM 0 HA SER A 42 -5.903 2.284 -12.961 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.749 0.777 -11.432 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.366 0.990 -10.791 1.00 0.00 H new ATOM 0 HG SER A 42 -5.436 0.140 -13.404 1.00 0.00 H new ATOM 599 N GLU A 43 -5.809 4.299 -11.546 1.00 0.00 N ATOM 600 CA GLU A 43 -5.819 5.471 -10.678 1.00 0.00 C ATOM 601 C GLU A 43 -6.372 5.123 -9.300 1.00 0.00 C ATOM 602 O GLU A 43 -7.414 4.480 -9.182 1.00 0.00 O ATOM 603 CB GLU A 43 -6.651 6.592 -11.306 1.00 0.00 C ATOM 604 CG GLU A 43 -5.964 7.278 -12.475 1.00 0.00 C ATOM 605 CD GLU A 43 -5.630 6.317 -13.600 1.00 0.00 C ATOM 606 OE1 GLU A 43 -6.387 5.343 -13.792 1.00 0.00 O ATOM 607 OE2 GLU A 43 -4.613 6.540 -14.289 1.00 0.00 O ATOM 0 H GLU A 43 -6.625 4.216 -12.153 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.791 5.813 -10.562 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.602 6.181 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.879 7.335 -10.542 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.609 8.069 -12.857 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.048 7.754 -12.125 1.00 0.00 H new ATOM 614 N GLY A 44 -5.666 5.553 -8.259 1.00 0.00 N ATOM 615 CA GLY A 44 -6.101 5.277 -6.902 1.00 0.00 C ATOM 616 C GLY A 44 -5.334 4.133 -6.269 1.00 0.00 C ATOM 617 O GLY A 44 -5.162 4.091 -5.050 1.00 0.00 O ATOM 0 H GLY A 44 -4.800 6.088 -8.331 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.977 6.174 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.165 5.039 -6.906 1.00 0.00 H new ATOM 621 N TRP A 45 -4.874 3.202 -7.096 1.00 0.00 N ATOM 622 CA TRP A 45 -4.123 2.050 -6.609 1.00 0.00 C ATOM 623 C TRP A 45 -2.634 2.366 -6.528 1.00 0.00 C ATOM 624 O TRP A 45 -2.157 3.314 -7.152 1.00 0.00 O ATOM 625 CB TRP A 45 -4.352 0.844 -7.521 1.00 0.00 C ATOM 626 CG TRP A 45 -5.773 0.368 -7.532 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.811 0.903 -8.239 1.00 0.00 C ATOM 628 CD2 TRP A 45 -6.312 -0.738 -6.800 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.963 0.196 -7.991 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.683 -0.816 -7.112 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.769 -1.672 -5.912 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -8.516 -1.789 -6.566 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -6.597 -2.637 -5.372 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.959 -2.690 -5.701 1.00 0.00 C ATOM 0 H TRP A 45 -5.008 3.222 -8.107 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.480 1.812 -5.607 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -4.056 1.105 -8.537 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.705 0.027 -7.200 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.738 1.757 -8.897 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.878 0.393 -8.396 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.721 -1.639 -5.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -9.566 -1.831 -6.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -6.188 -3.363 -4.685 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -8.580 -3.457 -5.263 1.00 0.00 H new ATOM 645 N TRP A 46 -1.906 1.568 -5.755 1.00 0.00 N ATOM 646 CA TRP A 46 -0.469 1.765 -5.593 1.00 0.00 C ATOM 647 C TRP A 46 0.276 0.438 -5.695 1.00 0.00 C ATOM 648 O TRP A 46 -0.162 -0.575 -5.150 1.00 0.00 O ATOM 649 CB TRP A 46 -0.173 2.428 -4.247 1.00 0.00 C ATOM 650 CG TRP A 46 -0.450 3.901 -4.238 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.501 4.732 -5.320 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.711 4.716 -3.090 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.778 6.016 -4.914 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.912 6.032 -3.551 1.00 0.00 C ATOM 655 CE3 TRP A 46 -0.796 4.463 -1.718 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -1.192 7.088 -2.688 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.073 5.512 -0.863 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.269 6.812 -1.350 1.00 0.00 C ATOM 0 H TRP A 46 -2.286 0.780 -5.231 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.123 2.418 -6.395 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.773 1.948 -3.474 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.873 2.260 -3.989 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.346 4.426 -6.344 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.869 6.825 -5.528 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.648 3.465 -1.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.343 8.090 -3.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.140 5.328 0.199 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.485 7.611 -0.656 1.00 0.00 H new ATOM 669 N LYS A 47 1.404 0.451 -6.397 1.00 0.00 N ATOM 670 CA LYS A 47 2.212 -0.750 -6.569 1.00 0.00 C ATOM 671 C LYS A 47 3.194 -0.916 -5.414 1.00 0.00 C ATOM 672 O LYS A 47 4.239 -0.266 -5.377 1.00 0.00 O ATOM 673 CB LYS A 47 2.974 -0.691 -7.895 1.00 0.00 C ATOM 674 CG LYS A 47 3.420 -2.052 -8.402 1.00 0.00 C ATOM 675 CD LYS A 47 2.366 -2.688 -9.293 1.00 0.00 C ATOM 676 CE LYS A 47 2.562 -2.302 -10.751 1.00 0.00 C ATOM 677 NZ LYS A 47 1.589 -2.991 -11.643 1.00 0.00 N ATOM 0 H LYS A 47 1.779 1.281 -6.856 1.00 0.00 H new ATOM 0 HA LYS A 47 1.542 -1.610 -6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.340 -0.222 -8.648 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.850 -0.053 -7.773 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.352 -1.947 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.626 -2.707 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.410 -3.773 -9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.374 -2.378 -8.964 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.452 -1.223 -10.859 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.577 -2.552 -11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.017 -3.133 -12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.336 -3.913 -11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.733 -2.408 -11.739 1.00 0.00 H new ATOM 691 N CYS A 48 2.852 -1.791 -4.474 1.00 0.00 N ATOM 692 CA CYS A 48 3.704 -2.042 -3.317 1.00 0.00 C ATOM 693 C CYS A 48 4.277 -3.455 -3.361 1.00 0.00 C ATOM 694 O CYS A 48 3.757 -4.326 -4.060 1.00 0.00 O ATOM 695 CB CYS A 48 2.916 -1.839 -2.023 1.00 0.00 C ATOM 696 SG CYS A 48 2.090 -0.234 -1.906 1.00 0.00 S ATOM 0 H CYS A 48 1.991 -2.338 -4.491 1.00 0.00 H new ATOM 0 HA CYS A 48 4.531 -1.332 -3.345 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.168 -2.628 -1.938 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.594 -1.950 -1.176 1.00 0.00 H new ATOM 0 HG CYS A 48 1.282 -0.235 -0.888 1.00 0.00 H new ATOM 702 N LEU A 49 5.352 -3.676 -2.612 1.00 0.00 N ATOM 703 CA LEU A 49 5.997 -4.983 -2.566 1.00 0.00 C ATOM 704 C LEU A 49 5.966 -5.557 -1.153 1.00 0.00 C ATOM 705 O LEU A 49 6.341 -4.886 -0.191 1.00 0.00 O ATOM 706 CB LEU A 49 7.443 -4.878 -3.054 1.00 0.00 C ATOM 707 CG LEU A 49 8.244 -6.180 -3.068 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.565 -6.624 -1.649 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.480 -7.268 -3.809 1.00 0.00 C ATOM 0 H LEU A 49 5.795 -2.967 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 49 5.446 -5.655 -3.224 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.435 -4.469 -4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.967 -4.160 -2.423 1.00 0.00 H new ATOM 0 HG LEU A 49 9.183 -6.001 -3.592 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.135 -7.552 -1.678 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.152 -5.853 -1.151 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.637 -6.785 -1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.065 -8.188 -3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.526 -7.445 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.301 -6.952 -4.837 1.00 0.00 H new ATOM 721 N LEU A 50 5.518 -6.802 -1.036 1.00 0.00 N ATOM 722 CA LEU A 50 5.440 -7.468 0.260 1.00 0.00 C ATOM 723 C LEU A 50 5.598 -8.977 0.107 1.00 0.00 C ATOM 724 O LEU A 50 4.963 -9.595 -0.748 1.00 0.00 O ATOM 725 CB LEU A 50 4.107 -7.150 0.939 1.00 0.00 C ATOM 726 CG LEU A 50 4.024 -7.460 2.434 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.537 -6.286 3.253 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.596 -7.805 2.829 1.00 0.00 C ATOM 0 H LEU A 50 5.203 -7.371 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 50 6.255 -7.097 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.893 -6.091 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.321 -7.706 0.429 1.00 0.00 H new ATOM 0 HG LEU A 50 4.656 -8.324 2.641 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.470 -6.526 4.314 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.576 -6.086 2.991 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.933 -5.403 3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.556 -8.023 3.896 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.943 -6.961 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.264 -8.679 2.268 1.00 0.00 H new ATOM 740 N HIS A 51 6.447 -9.566 0.943 1.00 0.00 N ATOM 741 CA HIS A 51 6.687 -11.004 0.903 1.00 0.00 C ATOM 742 C HIS A 51 6.758 -11.503 -0.537 1.00 0.00 C ATOM 743 O HIS A 51 6.281 -12.592 -0.852 1.00 0.00 O ATOM 744 CB HIS A 51 5.585 -11.747 1.658 1.00 0.00 C ATOM 745 CG HIS A 51 5.704 -11.644 3.147 1.00 0.00 C ATOM 746 ND1 HIS A 51 5.585 -12.729 3.989 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.936 -10.575 3.945 1.00 0.00 C ATOM 748 CE1 HIS A 51 5.736 -12.332 5.240 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.951 -11.029 5.240 1.00 0.00 N ATOM 0 H HIS A 51 6.980 -9.069 1.657 1.00 0.00 H new ATOM 0 HA HIS A 51 7.644 -11.201 1.385 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.616 -11.352 1.351 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.606 -12.799 1.372 1.00 0.00 H new ATOM 0 HD2 HIS A 51 6.082 -9.555 3.622 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.691 -12.965 6.114 1.00 0.00 H new ATOM 0 HE2 HIS A 51 6.103 -10.453 6.068 1.00 0.00 H new ATOM 758 N GLY A 52 7.357 -10.697 -1.409 1.00 0.00 N ATOM 759 CA GLY A 52 7.479 -11.073 -2.805 1.00 0.00 C ATOM 760 C GLY A 52 6.134 -11.182 -3.496 1.00 0.00 C ATOM 761 O GLY A 52 5.834 -12.196 -4.127 1.00 0.00 O ATOM 0 H GLY A 52 7.760 -9.790 -1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.092 -10.336 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.999 -12.028 -2.877 1.00 0.00 H new ATOM 765 N ARG A 53 5.323 -10.137 -3.375 1.00 0.00 N ATOM 766 CA ARG A 53 4.001 -10.121 -3.991 1.00 0.00 C ATOM 767 C ARG A 53 3.997 -9.256 -5.248 1.00 0.00 C ATOM 768 O ARG A 53 3.655 -9.724 -6.333 1.00 0.00 O ATOM 769 CB ARG A 53 2.959 -9.602 -2.998 1.00 0.00 C ATOM 770 CG ARG A 53 2.437 -10.669 -2.050 1.00 0.00 C ATOM 771 CD ARG A 53 1.050 -10.323 -1.532 1.00 0.00 C ATOM 772 NE ARG A 53 0.263 -11.516 -1.234 1.00 0.00 N ATOM 773 CZ ARG A 53 0.547 -12.356 -0.245 1.00 0.00 C ATOM 774 NH1 ARG A 53 1.594 -12.134 0.538 1.00 0.00 N ATOM 775 NH2 ARG A 53 -0.217 -13.421 -0.036 1.00 0.00 N ATOM 0 H ARG A 53 5.557 -9.290 -2.856 1.00 0.00 H new ATOM 0 HA ARG A 53 3.747 -11.143 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.397 -8.792 -2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.121 -9.178 -3.552 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.406 -11.630 -2.564 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.123 -10.779 -1.210 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.141 -9.715 -0.632 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.526 -9.719 -2.273 1.00 0.00 H new ATOM 0 HE ARG A 53 -0.550 -11.715 -1.817 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.184 -11.317 0.382 1.00 0.00 H new ATOM 0 HH12 ARG A 53 1.810 -12.781 1.297 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -1.024 -13.595 -0.635 1.00 0.00 H new ATOM 0 HH22 ARG A 53 0.003 -14.065 0.724 1.00 0.00 H new ATOM 789 N GLN A 54 4.379 -7.992 -5.092 1.00 0.00 N ATOM 790 CA GLN A 54 4.419 -7.062 -6.214 1.00 0.00 C ATOM 791 C GLN A 54 3.022 -6.842 -6.787 1.00 0.00 C ATOM 792 O GLN A 54 2.799 -7.008 -7.985 1.00 0.00 O ATOM 793 CB GLN A 54 5.354 -7.586 -7.305 1.00 0.00 C ATOM 794 CG GLN A 54 6.800 -7.152 -7.126 1.00 0.00 C ATOM 795 CD GLN A 54 7.558 -7.095 -8.438 1.00 0.00 C ATOM 796 OE1 GLN A 54 8.109 -8.097 -8.893 1.00 0.00 O ATOM 797 NE2 GLN A 54 7.591 -5.918 -9.053 1.00 0.00 N ATOM 0 H GLN A 54 4.665 -7.589 -4.200 1.00 0.00 H new ATOM 0 HA GLN A 54 4.798 -6.107 -5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.309 -8.675 -7.318 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.997 -7.240 -8.275 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.825 -6.170 -6.653 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.302 -7.844 -6.450 1.00 0.00 H new ATOM 0 HE21 GLN A 54 7.120 -5.113 -8.640 1.00 0.00 H new ATOM 0 HE22 GLN A 54 8.087 -5.819 -9.939 1.00 0.00 H new ATOM 806 N GLY A 55 2.085 -6.467 -5.922 1.00 0.00 N ATOM 807 CA GLY A 55 0.722 -6.231 -6.361 1.00 0.00 C ATOM 808 C GLY A 55 0.256 -4.819 -6.069 1.00 0.00 C ATOM 809 O GLY A 55 0.948 -4.054 -5.395 1.00 0.00 O ATOM 0 H GLY A 55 2.245 -6.322 -4.925 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.651 -6.420 -7.432 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.057 -6.939 -5.867 1.00 0.00 H new ATOM 813 N LEU A 56 -0.921 -4.469 -6.577 1.00 0.00 N ATOM 814 CA LEU A 56 -1.479 -3.137 -6.369 1.00 0.00 C ATOM 815 C LEU A 56 -2.183 -3.047 -5.019 1.00 0.00 C ATOM 816 O LEU A 56 -2.511 -4.064 -4.409 1.00 0.00 O ATOM 817 CB LEU A 56 -2.459 -2.792 -7.491 1.00 0.00 C ATOM 818 CG LEU A 56 -1.891 -2.820 -8.911 1.00 0.00 C ATOM 819 CD1 LEU A 56 -3.014 -2.810 -9.936 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.953 -1.642 -9.133 1.00 0.00 C ATOM 0 H LEU A 56 -1.507 -5.089 -7.136 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.658 -2.420 -6.379 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.296 -3.489 -7.442 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.861 -1.797 -7.302 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.322 -3.741 -9.036 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.590 -2.830 -10.940 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.646 -3.686 -9.791 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.611 -1.907 -9.812 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.558 -1.678 -10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.499 -0.710 -8.989 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -0.129 -1.694 -8.421 1.00 0.00 H new ATOM 832 N ALA A 57 -2.413 -1.822 -4.558 1.00 0.00 N ATOM 833 CA ALA A 57 -3.081 -1.599 -3.282 1.00 0.00 C ATOM 834 C ALA A 57 -3.896 -0.310 -3.307 1.00 0.00 C ATOM 835 O ALA A 57 -3.501 0.691 -3.906 1.00 0.00 O ATOM 836 CB ALA A 57 -2.063 -1.560 -2.152 1.00 0.00 C ATOM 0 H ALA A 57 -2.146 -0.969 -5.049 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.767 -2.429 -3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.577 -1.393 -1.205 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.528 -2.509 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.354 -0.751 -2.328 1.00 0.00 H new ATOM 842 N PRO A 58 -5.060 -0.331 -2.642 1.00 0.00 N ATOM 843 CA PRO A 58 -5.955 0.828 -2.573 1.00 0.00 C ATOM 844 C PRO A 58 -5.378 1.955 -1.724 1.00 0.00 C ATOM 845 O PRO A 58 -5.350 1.868 -0.497 1.00 0.00 O ATOM 846 CB PRO A 58 -7.220 0.262 -1.924 1.00 0.00 C ATOM 847 CG PRO A 58 -6.749 -0.911 -1.136 1.00 0.00 C ATOM 848 CD PRO A 58 -5.593 -1.490 -1.905 1.00 0.00 C ATOM 0 HA PRO A 58 -6.126 1.271 -3.554 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.701 1.001 -1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.952 -0.034 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.440 -0.610 -0.135 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.545 -1.646 -1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.845 -1.923 -1.241 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.916 -2.282 -2.581 1.00 0.00 H new ATOM 856 N ALA A 59 -4.920 3.013 -2.385 1.00 0.00 N ATOM 857 CA ALA A 59 -4.347 4.159 -1.690 1.00 0.00 C ATOM 858 C ALA A 59 -5.330 4.735 -0.677 1.00 0.00 C ATOM 859 O ALA A 59 -4.960 5.546 0.171 1.00 0.00 O ATOM 860 CB ALA A 59 -3.928 5.227 -2.689 1.00 0.00 C ATOM 0 H ALA A 59 -4.935 3.100 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.465 3.819 -1.147 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.502 6.077 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.183 4.816 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.798 5.555 -3.258 1.00 0.00 H new ATOM 866 N ASN A 60 -6.587 4.312 -0.772 1.00 0.00 N ATOM 867 CA ASN A 60 -7.624 4.787 0.135 1.00 0.00 C ATOM 868 C ASN A 60 -7.525 4.090 1.489 1.00 0.00 C ATOM 869 O ASN A 60 -7.981 4.616 2.504 1.00 0.00 O ATOM 870 CB ASN A 60 -9.009 4.552 -0.472 1.00 0.00 C ATOM 871 CG ASN A 60 -9.480 5.724 -1.310 1.00 0.00 C ATOM 872 OD1 ASN A 60 -9.428 6.874 -0.874 1.00 0.00 O ATOM 873 ND2 ASN A 60 -9.942 5.437 -2.521 1.00 0.00 N ATOM 0 H ASN A 60 -6.911 3.641 -1.468 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.477 5.857 0.286 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -8.984 3.654 -1.090 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.727 4.369 0.328 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.272 6.185 -3.131 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.967 4.469 -2.841 1.00 0.00 H new ATOM 880 N ARG A 61 -6.925 2.905 1.495 1.00 0.00 N ATOM 881 CA ARG A 61 -6.766 2.135 2.723 1.00 0.00 C ATOM 882 C ARG A 61 -5.327 2.206 3.226 1.00 0.00 C ATOM 883 O ARG A 61 -4.955 1.516 4.176 1.00 0.00 O ATOM 884 CB ARG A 61 -7.164 0.676 2.491 1.00 0.00 C ATOM 885 CG ARG A 61 -8.520 0.514 1.823 1.00 0.00 C ATOM 886 CD ARG A 61 -9.074 -0.888 2.019 1.00 0.00 C ATOM 887 NE ARG A 61 -10.534 -0.904 2.032 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.266 -0.349 2.992 1.00 0.00 C ATOM 889 NH1 ARG A 61 -10.676 0.262 4.011 1.00 0.00 N ATOM 890 NH2 ARG A 61 -12.590 -0.404 2.934 1.00 0.00 N ATOM 0 H ARG A 61 -6.541 2.457 0.663 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.420 2.567 3.480 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.405 0.195 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.175 0.155 3.448 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -9.218 1.243 2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -8.429 0.725 0.757 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.712 -1.536 1.221 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.699 -1.298 2.957 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.018 -1.366 1.262 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.658 0.307 4.059 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.240 0.687 4.747 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.047 -0.873 2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.151 0.022 3.672 1.00 0.00 H new ATOM 904 N LEU A 62 -4.522 3.045 2.584 1.00 0.00 N ATOM 905 CA LEU A 62 -3.123 3.206 2.966 1.00 0.00 C ATOM 906 C LEU A 62 -2.912 4.517 3.717 1.00 0.00 C ATOM 907 O LEU A 62 -3.712 5.445 3.602 1.00 0.00 O ATOM 908 CB LEU A 62 -2.227 3.166 1.727 1.00 0.00 C ATOM 909 CG LEU A 62 -1.827 1.775 1.234 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.145 0.991 2.344 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.044 1.022 0.716 1.00 0.00 C ATOM 0 H LEU A 62 -4.814 3.624 1.797 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.855 2.382 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.739 3.684 0.916 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.319 3.729 1.942 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.120 1.891 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.868 0.004 1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.250 1.522 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.828 0.884 3.187 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.740 0.034 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.775 0.916 1.518 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.490 1.575 -0.111 1.00 0.00 H new ATOM 923 N GLN A 63 -1.828 4.586 4.484 1.00 0.00 N ATOM 924 CA GLN A 63 -1.511 5.784 5.252 1.00 0.00 C ATOM 925 C GLN A 63 -0.084 6.246 4.976 1.00 0.00 C ATOM 926 O GLN A 63 0.873 5.696 5.522 1.00 0.00 O ATOM 927 CB GLN A 63 -1.694 5.519 6.748 1.00 0.00 C ATOM 928 CG GLN A 63 -1.138 6.622 7.633 1.00 0.00 C ATOM 929 CD GLN A 63 -1.658 6.547 9.055 1.00 0.00 C ATOM 930 OE1 GLN A 63 -1.261 5.674 9.828 1.00 0.00 O ATOM 931 NE2 GLN A 63 -2.550 7.464 9.409 1.00 0.00 N ATOM 0 H GLN A 63 -1.155 3.827 4.590 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.195 6.575 4.944 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.756 5.396 6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.207 4.578 7.004 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.050 6.560 7.644 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.397 7.591 7.206 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.851 8.169 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.934 7.464 10.354 1.00 0.00 H new ATOM 940 N ILE A 64 0.050 7.259 4.127 1.00 0.00 N ATOM 941 CA ILE A 64 1.361 7.795 3.780 1.00 0.00 C ATOM 942 C ILE A 64 2.016 8.467 4.982 1.00 0.00 C ATOM 943 O ILE A 64 1.495 9.445 5.521 1.00 0.00 O ATOM 944 CB ILE A 64 1.266 8.811 2.627 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.674 8.148 1.381 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.637 9.395 2.321 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.519 7.017 0.839 1.00 0.00 C ATOM 0 H ILE A 64 -0.732 7.725 3.667 1.00 0.00 H new ATOM 0 HA ILE A 64 1.973 6.951 3.461 1.00 0.00 H new ATOM 0 HB ILE A 64 0.606 9.623 2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.319 7.767 1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.548 8.902 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.553 10.111 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.024 9.899 3.207 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.318 8.594 2.033 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.038 6.594 -0.043 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.505 7.396 0.569 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.624 6.244 1.600 1.00 0.00 H new ATOM 959 N LEU A 65 3.161 7.938 5.397 1.00 0.00 N ATOM 960 CA LEU A 65 3.890 8.487 6.535 1.00 0.00 C ATOM 961 C LEU A 65 4.916 9.519 6.078 1.00 0.00 C ATOM 962 O LEU A 65 5.892 9.183 5.406 1.00 0.00 O ATOM 963 CB LEU A 65 4.587 7.367 7.309 1.00 0.00 C ATOM 964 CG LEU A 65 3.680 6.259 7.847 1.00 0.00 C ATOM 965 CD1 LEU A 65 4.510 5.088 8.351 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.783 6.795 8.953 1.00 0.00 C ATOM 0 H LEU A 65 3.605 7.129 4.963 1.00 0.00 H new ATOM 0 HA LEU A 65 3.172 8.980 7.190 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.335 6.913 6.658 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.122 7.811 8.148 1.00 0.00 H new ATOM 0 HG LEU A 65 3.047 5.905 7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.848 4.309 8.730 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.110 4.688 7.533 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.168 5.426 9.152 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.144 5.993 9.324 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.398 7.176 9.768 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.163 7.601 8.560 1.00 0.00 H new ATOM 978 N SER A 66 4.690 10.775 6.448 1.00 0.00 N ATOM 979 CA SER A 66 5.595 11.857 6.074 1.00 0.00 C ATOM 980 C SER A 66 6.640 12.091 7.161 1.00 0.00 C ATOM 981 O SER A 66 6.313 12.180 8.343 1.00 0.00 O ATOM 982 CB SER A 66 4.807 13.144 5.822 1.00 0.00 C ATOM 983 OG SER A 66 5.678 14.244 5.626 1.00 0.00 O ATOM 0 H SER A 66 3.889 11.069 7.006 1.00 0.00 H new ATOM 0 HA SER A 66 6.109 11.568 5.157 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.171 13.019 4.946 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.149 13.343 6.668 1.00 0.00 H new ATOM 0 HG SER A 66 5.151 15.054 5.465 1.00 0.00 H new ATOM 989 N GLY A 67 7.900 12.189 6.749 1.00 0.00 N ATOM 990 CA GLY A 67 8.975 12.412 7.699 1.00 0.00 C ATOM 991 C GLY A 67 10.339 12.100 7.114 1.00 0.00 C ATOM 992 O GLY A 67 10.898 11.024 7.327 1.00 0.00 O ATOM 0 H GLY A 67 8.196 12.118 5.775 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.954 13.450 8.030 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.811 11.793 8.581 1.00 0.00 H new ATOM 996 N PRO A 68 10.895 13.057 6.356 1.00 0.00 N ATOM 997 CA PRO A 68 12.207 12.903 5.722 1.00 0.00 C ATOM 998 C PRO A 68 13.345 12.908 6.737 1.00 0.00 C ATOM 999 O PRO A 68 14.403 12.325 6.501 1.00 0.00 O ATOM 1000 CB PRO A 68 12.304 14.123 4.804 1.00 0.00 C ATOM 1001 CG PRO A 68 11.408 15.138 5.426 1.00 0.00 C ATOM 1002 CD PRO A 68 10.285 14.365 6.060 1.00 0.00 C ATOM 0 HA PRO A 68 12.297 11.951 5.198 1.00 0.00 H new ATOM 0 HB2 PRO A 68 13.329 14.488 4.737 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.985 13.882 3.790 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.944 15.728 6.169 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.029 15.835 4.678 1.00 0.00 H new ATOM 0 HD2 PRO A 68 9.922 14.853 6.965 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.434 14.268 5.386 1.00 0.00 H new ATOM 1010 N SER A 69 13.121 13.571 7.867 1.00 0.00 N ATOM 1011 CA SER A 69 14.130 13.656 8.917 1.00 0.00 C ATOM 1012 C SER A 69 14.943 12.368 8.993 1.00 0.00 C ATOM 1013 O SER A 69 14.390 11.268 8.962 1.00 0.00 O ATOM 1014 CB SER A 69 13.468 13.935 10.268 1.00 0.00 C ATOM 1015 OG SER A 69 14.412 14.419 11.208 1.00 0.00 O ATOM 0 H SER A 69 12.250 14.057 8.079 1.00 0.00 H new ATOM 0 HA SER A 69 14.804 14.477 8.674 1.00 0.00 H new ATOM 0 HB2 SER A 69 12.669 14.666 10.141 1.00 0.00 H new ATOM 0 HB3 SER A 69 13.008 13.022 10.647 1.00 0.00 H new ATOM 0 HG SER A 69 13.964 14.591 12.062 1.00 0.00 H new ATOM 1021 N SER A 70 16.261 12.512 9.093 1.00 0.00 N ATOM 1022 CA SER A 70 17.153 11.361 9.170 1.00 0.00 C ATOM 1023 C SER A 70 18.086 11.476 10.371 1.00 0.00 C ATOM 1024 O SER A 70 18.851 12.432 10.488 1.00 0.00 O ATOM 1025 CB SER A 70 17.972 11.238 7.884 1.00 0.00 C ATOM 1026 OG SER A 70 18.957 10.225 8.002 1.00 0.00 O ATOM 0 H SER A 70 16.735 13.415 9.123 1.00 0.00 H new ATOM 0 HA SER A 70 16.542 10.466 9.291 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.310 11.011 7.048 1.00 0.00 H new ATOM 0 HB3 SER A 70 18.451 12.191 7.661 1.00 0.00 H new ATOM 0 HG SER A 70 19.466 10.165 7.167 1.00 0.00 H new ATOM 1032 N GLY A 71 18.016 10.493 11.264 1.00 0.00 N ATOM 1033 CA GLY A 71 18.858 10.502 12.445 1.00 0.00 C ATOM 1034 C GLY A 71 19.582 9.186 12.651 1.00 0.00 C ATOM 1035 O GLY A 71 20.628 8.945 12.048 1.00 0.00 O ATOM 0 H GLY A 71 17.391 9.691 11.190 1.00 0.00 H new ATOM 0 HA2 GLY A 71 19.589 11.306 12.360 1.00 0.00 H new ATOM 0 HA3 GLY A 71 18.247 10.718 13.321 1.00 0.00 H new TER 1039 GLY A 71