USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 528 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 54 HIS HE2 : A 54 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 59 HIS HE2 : A 59 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 15 HIS : no HE2:sc= -6.22! C(o=-6.2!,f=-10!) USER MOD Set 1.2: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 23 HIS : no HD1:sc= 0.0332 K(o=-0.8,f=-2.8!) USER MOD Set 2.2: A 24 HIS :FLIP no HE2:sc= -0.833 F(o=-1.7,f=-0.8) USER MOD Set 3.1: A 13 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 68 HIS : no HE2:sc= -0.471 K(o=-0.47,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 -62:sc= 0.637 USER MOD Single : A 8 SER OG : rot 68:sc= 0.802 USER MOD Single : A 26 ASN : amide:sc= -2.54! C(o=-2.5!,f=-6!) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.00533 K(o=-0.0053,f=-1.2) USER MOD Single : A 39 SER OG : rot 37:sc= 0.329 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0048 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -138:sc= -0.0496 (180deg=-1.45!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 161:sc= 0 (180deg=-0.568) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= -0.0193 (180deg=-0.226) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -0.538 X(o=-0.54,f=-0.54) USER MOD Single : A 71 SER OG : rot 175:sc= 0.316 USER MOD Single : A 74 SER OG : rot 180:sc= 0.00173 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.923 -8.992 17.103 1.00 0.00 N ATOM 2 CA GLY A 1 7.585 -9.562 15.812 1.00 0.00 C ATOM 3 C GLY A 1 7.058 -10.978 15.923 1.00 0.00 C ATOM 4 O GLY A 1 7.600 -11.794 16.669 1.00 0.00 O ATOM 0 H1 GLY A 1 8.278 -8.023 16.973 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.076 -8.972 17.706 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.657 -9.572 17.557 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.836 -8.936 15.327 1.00 0.00 H new ATOM 0 HA3 GLY A 1 8.468 -9.555 15.173 1.00 0.00 H new ATOM 8 N SER A 2 5.995 -11.272 15.180 1.00 0.00 N ATOM 9 CA SER A 2 5.390 -12.599 15.203 1.00 0.00 C ATOM 10 C SER A 2 5.479 -13.260 13.831 1.00 0.00 C ATOM 11 O SER A 2 6.076 -14.327 13.681 1.00 0.00 O ATOM 12 CB SER A 2 3.928 -12.508 15.644 1.00 0.00 C ATOM 13 OG SER A 2 3.446 -13.769 16.075 1.00 0.00 O ATOM 0 H SER A 2 5.535 -10.610 14.555 1.00 0.00 H new ATOM 0 HA SER A 2 5.940 -13.210 15.918 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.833 -11.783 16.453 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.317 -12.145 14.817 1.00 0.00 H new ATOM 0 HG SER A 2 2.510 -13.684 16.353 1.00 0.00 H new ATOM 19 N SER A 3 4.882 -12.619 12.832 1.00 0.00 N ATOM 20 CA SER A 3 4.889 -13.146 11.472 1.00 0.00 C ATOM 21 C SER A 3 6.236 -12.894 10.800 1.00 0.00 C ATOM 22 O SER A 3 7.096 -12.205 11.347 1.00 0.00 O ATOM 23 CB SER A 3 3.768 -12.508 10.649 1.00 0.00 C ATOM 24 OG SER A 3 4.008 -11.126 10.445 1.00 0.00 O ATOM 0 H SER A 3 4.387 -11.734 12.938 1.00 0.00 H new ATOM 0 HA SER A 3 4.724 -14.222 11.524 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.687 -13.012 9.686 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.815 -12.643 11.160 1.00 0.00 H new ATOM 0 HG SER A 3 3.278 -10.742 9.915 1.00 0.00 H new ATOM 30 N GLY A 4 6.410 -13.458 9.608 1.00 0.00 N ATOM 31 CA GLY A 4 7.653 -13.284 8.880 1.00 0.00 C ATOM 32 C GLY A 4 7.750 -11.926 8.214 1.00 0.00 C ATOM 33 O GLY A 4 7.891 -11.833 6.994 1.00 0.00 O ATOM 0 H GLY A 4 5.712 -14.032 9.134 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.492 -13.410 9.564 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.739 -14.063 8.123 1.00 0.00 H new ATOM 37 N SER A 5 7.671 -10.868 9.015 1.00 0.00 N ATOM 38 CA SER A 5 7.745 -9.508 8.495 1.00 0.00 C ATOM 39 C SER A 5 8.933 -8.761 9.094 1.00 0.00 C ATOM 40 O SER A 5 8.833 -8.177 10.173 1.00 0.00 O ATOM 41 CB SER A 5 6.449 -8.753 8.797 1.00 0.00 C ATOM 42 OG SER A 5 6.337 -7.590 7.995 1.00 0.00 O ATOM 0 H SER A 5 7.556 -10.927 10.027 1.00 0.00 H new ATOM 0 HA SER A 5 7.881 -9.565 7.415 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.594 -9.405 8.618 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.423 -8.476 9.851 1.00 0.00 H new ATOM 0 HG SER A 5 5.500 -7.126 8.206 1.00 0.00 H new ATOM 48 N SER A 6 10.057 -8.785 8.385 1.00 0.00 N ATOM 49 CA SER A 6 11.266 -8.114 8.847 1.00 0.00 C ATOM 50 C SER A 6 11.184 -6.612 8.596 1.00 0.00 C ATOM 51 O SER A 6 12.068 -6.026 7.973 1.00 0.00 O ATOM 52 CB SER A 6 12.496 -8.693 8.145 1.00 0.00 C ATOM 53 OG SER A 6 13.683 -8.057 8.587 1.00 0.00 O ATOM 0 H SER A 6 10.155 -9.262 7.489 1.00 0.00 H new ATOM 0 HA SER A 6 11.356 -8.281 9.920 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.559 -9.764 8.340 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.394 -8.571 7.067 1.00 0.00 H new ATOM 0 HG SER A 6 13.646 -7.104 8.363 1.00 0.00 H new ATOM 59 N GLY A 7 10.114 -5.993 9.087 1.00 0.00 N ATOM 60 CA GLY A 7 9.934 -4.565 8.905 1.00 0.00 C ATOM 61 C GLY A 7 8.472 -4.164 8.871 1.00 0.00 C ATOM 62 O GLY A 7 8.040 -3.447 7.968 1.00 0.00 O ATOM 0 H GLY A 7 9.369 -6.456 9.608 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.435 -4.033 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.414 -4.257 7.976 1.00 0.00 H new ATOM 66 N SER A 8 7.709 -4.629 9.854 1.00 0.00 N ATOM 67 CA SER A 8 6.286 -4.320 9.930 1.00 0.00 C ATOM 68 C SER A 8 6.062 -2.937 10.535 1.00 0.00 C ATOM 69 O SER A 8 5.172 -2.748 11.363 1.00 0.00 O ATOM 70 CB SER A 8 5.556 -5.377 10.760 1.00 0.00 C ATOM 71 OG SER A 8 5.736 -5.151 12.147 1.00 0.00 O ATOM 0 H SER A 8 8.052 -5.222 10.610 1.00 0.00 H new ATOM 0 HA SER A 8 5.884 -4.324 8.917 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.493 -5.361 10.521 1.00 0.00 H new ATOM 0 HB3 SER A 8 5.926 -6.368 10.499 1.00 0.00 H new ATOM 0 HG SER A 8 5.273 -4.328 12.407 1.00 0.00 H new ATOM 77 N GLU A 9 6.878 -1.975 10.116 1.00 0.00 N ATOM 78 CA GLU A 9 6.770 -0.610 10.618 1.00 0.00 C ATOM 79 C GLU A 9 5.870 0.231 9.717 1.00 0.00 C ATOM 80 O GLU A 9 5.150 1.110 10.188 1.00 0.00 O ATOM 81 CB GLU A 9 8.156 0.032 10.716 1.00 0.00 C ATOM 82 CG GLU A 9 8.259 1.093 11.799 1.00 0.00 C ATOM 83 CD GLU A 9 9.693 1.378 12.200 1.00 0.00 C ATOM 84 OE1 GLU A 9 10.449 0.412 12.433 1.00 0.00 O ATOM 85 OE2 GLU A 9 10.060 2.569 12.281 1.00 0.00 O ATOM 0 H GLU A 9 7.620 -2.115 9.431 1.00 0.00 H new ATOM 0 HA GLU A 9 6.325 -0.649 11.612 1.00 0.00 H new ATOM 0 HB2 GLU A 9 8.895 -0.746 10.909 1.00 0.00 H new ATOM 0 HB3 GLU A 9 8.409 0.480 9.755 1.00 0.00 H new ATOM 0 HG2 GLU A 9 7.794 2.014 11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.698 0.768 12.675 1.00 0.00 H new ATOM 92 N ALA A 10 5.918 -0.046 8.418 1.00 0.00 N ATOM 93 CA ALA A 10 5.107 0.683 7.451 1.00 0.00 C ATOM 94 C ALA A 10 3.632 0.651 7.837 1.00 0.00 C ATOM 95 O ALA A 10 2.871 1.553 7.488 1.00 0.00 O ATOM 96 CB ALA A 10 5.302 0.106 6.057 1.00 0.00 C ATOM 0 H ALA A 10 6.510 -0.770 8.011 1.00 0.00 H new ATOM 0 HA ALA A 10 5.433 1.723 7.451 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.690 0.660 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.351 0.186 5.773 1.00 0.00 H new ATOM 0 HB3 ALA A 10 5.004 -0.943 6.052 1.00 0.00 H new ATOM 102 N TRP A 11 3.236 -0.392 8.557 1.00 0.00 N ATOM 103 CA TRP A 11 1.851 -0.540 8.990 1.00 0.00 C ATOM 104 C TRP A 11 1.378 0.702 9.736 1.00 0.00 C ATOM 105 O TRP A 11 0.185 1.004 9.761 1.00 0.00 O ATOM 106 CB TRP A 11 1.704 -1.773 9.883 1.00 0.00 C ATOM 107 CG TRP A 11 1.421 -3.030 9.117 1.00 0.00 C ATOM 108 CD1 TRP A 11 2.223 -4.132 9.025 1.00 0.00 C ATOM 109 CD2 TRP A 11 0.255 -3.314 8.336 1.00 0.00 C ATOM 110 NE1 TRP A 11 1.626 -5.083 8.233 1.00 0.00 N ATOM 111 CE2 TRP A 11 0.418 -4.606 7.798 1.00 0.00 C ATOM 112 CE3 TRP A 11 -0.910 -2.603 8.038 1.00 0.00 C ATOM 113 CZ2 TRP A 11 -0.542 -5.198 6.982 1.00 0.00 C ATOM 114 CZ3 TRP A 11 -1.862 -3.192 7.227 1.00 0.00 C ATOM 115 CH2 TRP A 11 -1.673 -4.479 6.707 1.00 0.00 C ATOM 0 H TRP A 11 3.854 -1.148 8.853 1.00 0.00 H new ATOM 0 HA TRP A 11 1.230 -0.666 8.103 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.619 -1.906 10.460 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.898 -1.602 10.597 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.185 -4.240 9.504 1.00 0.00 H new ATOM 0 HE1 TRP A 11 2.019 -5.996 8.006 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -1.064 -1.610 8.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -0.399 -6.190 6.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.766 -2.651 6.990 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -2.435 -4.912 6.076 1.00 0.00 H new ATOM 126 N GLU A 12 2.320 1.419 10.341 1.00 0.00 N ATOM 127 CA GLU A 12 1.996 2.629 11.088 1.00 0.00 C ATOM 128 C GLU A 12 1.328 3.663 10.186 1.00 0.00 C ATOM 129 O GLU A 12 0.655 4.577 10.663 1.00 0.00 O ATOM 130 CB GLU A 12 3.261 3.223 11.712 1.00 0.00 C ATOM 131 CG GLU A 12 3.948 2.292 12.697 1.00 0.00 C ATOM 132 CD GLU A 12 5.172 2.919 13.335 1.00 0.00 C ATOM 133 OE1 GLU A 12 5.716 3.882 12.754 1.00 0.00 O ATOM 134 OE2 GLU A 12 5.587 2.447 14.414 1.00 0.00 O ATOM 0 H GLU A 12 3.312 1.183 10.329 1.00 0.00 H new ATOM 0 HA GLU A 12 1.299 2.360 11.882 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.962 3.479 10.918 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.003 4.151 12.222 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.241 2.009 13.477 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.240 1.376 12.183 1.00 0.00 H new ATOM 141 N TYR A 13 1.518 3.511 8.880 1.00 0.00 N ATOM 142 CA TYR A 13 0.937 4.432 7.911 1.00 0.00 C ATOM 143 C TYR A 13 -0.220 3.777 7.162 1.00 0.00 C ATOM 144 O TYR A 13 -0.616 4.229 6.088 1.00 0.00 O ATOM 145 CB TYR A 13 2.002 4.899 6.917 1.00 0.00 C ATOM 146 CG TYR A 13 3.255 5.428 7.577 1.00 0.00 C ATOM 147 CD1 TYR A 13 4.273 4.568 7.971 1.00 0.00 C ATOM 148 CD2 TYR A 13 3.422 6.788 7.806 1.00 0.00 C ATOM 149 CE1 TYR A 13 5.419 5.047 8.575 1.00 0.00 C ATOM 150 CE2 TYR A 13 4.565 7.276 8.408 1.00 0.00 C ATOM 151 CZ TYR A 13 5.561 6.402 8.791 1.00 0.00 C ATOM 152 OH TYR A 13 6.702 6.883 9.391 1.00 0.00 O ATOM 0 H TYR A 13 2.070 2.759 8.468 1.00 0.00 H new ATOM 0 HA TYR A 13 0.553 5.295 8.454 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.268 4.067 6.265 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.579 5.678 6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 13 4.166 3.507 7.802 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.644 7.476 7.508 1.00 0.00 H new ATOM 0 HE1 TYR A 13 6.200 4.364 8.877 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.678 8.336 8.578 1.00 0.00 H new ATOM 0 HH TYR A 13 6.645 7.858 9.469 1.00 0.00 H new ATOM 162 N PHE A 14 -0.760 2.708 7.739 1.00 0.00 N ATOM 163 CA PHE A 14 -1.872 1.989 7.129 1.00 0.00 C ATOM 164 C PHE A 14 -2.743 1.329 8.193 1.00 0.00 C ATOM 165 O PHE A 14 -2.293 1.075 9.311 1.00 0.00 O ATOM 166 CB PHE A 14 -1.349 0.931 6.154 1.00 0.00 C ATOM 167 CG PHE A 14 -0.620 1.510 4.976 1.00 0.00 C ATOM 168 CD1 PHE A 14 0.736 1.786 5.050 1.00 0.00 C ATOM 169 CD2 PHE A 14 -1.291 1.779 3.793 1.00 0.00 C ATOM 170 CE1 PHE A 14 1.410 2.319 3.967 1.00 0.00 C ATOM 171 CE2 PHE A 14 -0.622 2.311 2.707 1.00 0.00 C ATOM 172 CZ PHE A 14 0.729 2.582 2.794 1.00 0.00 C ATOM 0 H PHE A 14 -0.445 2.321 8.629 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.481 2.709 6.582 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.681 0.255 6.688 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.187 0.334 5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 14 1.273 1.582 5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.348 1.571 3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 14 2.467 2.529 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.156 2.515 1.791 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.253 2.999 1.946 1.00 0.00 H new ATOM 182 N HIS A 15 -3.994 1.054 7.838 1.00 0.00 N ATOM 183 CA HIS A 15 -4.930 0.424 8.763 1.00 0.00 C ATOM 184 C HIS A 15 -5.854 -0.542 8.026 1.00 0.00 C ATOM 185 O HIS A 15 -6.472 -0.183 7.023 1.00 0.00 O ATOM 186 CB HIS A 15 -5.757 1.486 9.488 1.00 0.00 C ATOM 187 CG HIS A 15 -7.046 1.815 8.799 1.00 0.00 C ATOM 188 ND1 HIS A 15 -8.058 0.896 8.618 1.00 0.00 N ATOM 189 CD2 HIS A 15 -7.485 2.971 8.248 1.00 0.00 C ATOM 190 CE1 HIS A 15 -9.064 1.472 7.983 1.00 0.00 C ATOM 191 NE2 HIS A 15 -8.742 2.731 7.748 1.00 0.00 N ATOM 0 H HIS A 15 -4.383 1.257 6.917 1.00 0.00 H new ATOM 0 HA HIS A 15 -4.354 -0.140 9.497 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -5.973 1.139 10.499 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -5.163 2.395 9.583 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -8.034 -0.076 8.926 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -6.948 3.907 8.209 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -9.992 0.994 7.704 1.00 0.00 H new ATOM 199 N LEU A 16 -5.943 -1.768 8.530 1.00 0.00 N ATOM 200 CA LEU A 16 -6.791 -2.786 7.920 1.00 0.00 C ATOM 201 C LEU A 16 -8.267 -2.445 8.100 1.00 0.00 C ATOM 202 O LEU A 16 -8.689 -2.021 9.175 1.00 0.00 O ATOM 203 CB LEU A 16 -6.494 -4.157 8.529 1.00 0.00 C ATOM 204 CG LEU A 16 -5.178 -4.810 8.104 1.00 0.00 C ATOM 205 CD1 LEU A 16 -4.984 -6.137 8.821 1.00 0.00 C ATOM 206 CD2 LEU A 16 -5.144 -5.007 6.595 1.00 0.00 C ATOM 0 H LEU A 16 -5.438 -2.081 9.359 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.572 -2.815 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.493 -4.058 9.614 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.311 -4.831 8.271 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.359 -4.147 8.383 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.042 -6.587 8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.963 -5.969 9.898 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.807 -6.808 8.574 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.201 -5.473 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -5.971 -5.649 6.293 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -5.236 -4.040 6.100 1.00 0.00 H new ATOM 218 N ALA A 17 -9.047 -2.636 7.041 1.00 0.00 N ATOM 219 CA ALA A 17 -10.476 -2.353 7.084 1.00 0.00 C ATOM 220 C ALA A 17 -11.269 -3.594 7.480 1.00 0.00 C ATOM 221 O ALA A 17 -10.933 -4.719 7.111 1.00 0.00 O ATOM 222 CB ALA A 17 -10.951 -1.828 5.737 1.00 0.00 C ATOM 0 H ALA A 17 -8.713 -2.986 6.143 1.00 0.00 H new ATOM 0 HA ALA A 17 -10.647 -1.587 7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -12.020 -1.621 5.784 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -10.414 -0.911 5.494 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.760 -2.575 4.967 1.00 0.00 H new ATOM 228 N PRO A 18 -12.348 -3.387 8.249 1.00 0.00 N ATOM 229 CA PRO A 18 -13.212 -4.477 8.712 1.00 0.00 C ATOM 230 C PRO A 18 -14.019 -5.099 7.578 1.00 0.00 C ATOM 231 O PRO A 18 -14.191 -4.492 6.521 1.00 0.00 O ATOM 232 CB PRO A 18 -14.141 -3.791 9.717 1.00 0.00 C ATOM 233 CG PRO A 18 -14.171 -2.364 9.292 1.00 0.00 C ATOM 234 CD PRO A 18 -12.809 -2.072 8.727 1.00 0.00 C ATOM 0 HA PRO A 18 -12.637 -5.301 9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -15.138 -4.231 9.698 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -13.767 -3.893 10.736 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.947 -2.195 8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.392 -1.710 10.136 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.858 -1.345 7.917 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -12.140 -1.662 9.483 1.00 0.00 H new ATOM 242 N ALA A 19 -14.513 -6.312 7.804 1.00 0.00 N ATOM 243 CA ALA A 19 -15.304 -7.014 6.801 1.00 0.00 C ATOM 244 C ALA A 19 -16.678 -6.373 6.639 1.00 0.00 C ATOM 245 O ALA A 19 -17.512 -6.431 7.543 1.00 0.00 O ATOM 246 CB ALA A 19 -15.445 -8.482 7.174 1.00 0.00 C ATOM 0 H ALA A 19 -14.379 -6.829 8.673 1.00 0.00 H new ATOM 0 HA ALA A 19 -14.783 -6.941 5.846 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -16.038 -8.995 6.417 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -14.457 -8.939 7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -15.941 -8.566 8.141 1.00 0.00 H new ATOM 252 N ARG A 20 -16.907 -5.760 5.482 1.00 0.00 N ATOM 253 CA ARG A 20 -18.179 -5.106 5.202 1.00 0.00 C ATOM 254 C ARG A 20 -18.815 -5.673 3.936 1.00 0.00 C ATOM 255 O ARG A 20 -20.012 -5.508 3.703 1.00 0.00 O ATOM 256 CB ARG A 20 -17.980 -3.597 5.054 1.00 0.00 C ATOM 257 CG ARG A 20 -16.987 -3.218 3.966 1.00 0.00 C ATOM 258 CD ARG A 20 -15.572 -3.120 4.514 1.00 0.00 C ATOM 259 NE ARG A 20 -14.732 -2.240 3.706 1.00 0.00 N ATOM 260 CZ ARG A 20 -14.277 -2.562 2.500 1.00 0.00 C ATOM 261 NH1 ARG A 20 -14.579 -3.737 1.966 1.00 0.00 N ATOM 262 NH2 ARG A 20 -13.518 -1.708 1.826 1.00 0.00 N ATOM 0 H ARG A 20 -16.228 -5.703 4.723 1.00 0.00 H new ATOM 0 HA ARG A 20 -18.849 -5.296 6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.941 -3.132 4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -17.638 -3.189 6.005 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -17.019 -3.960 3.168 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -17.275 -2.263 3.525 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.605 -2.749 5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.127 -4.114 4.549 1.00 0.00 H new ATOM 0 HE ARG A 20 -14.481 -1.328 4.088 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -15.162 -4.397 2.481 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -14.228 -3.982 1.040 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -13.283 -0.803 2.234 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -13.169 -1.956 0.900 1.00 0.00 H new ATOM 276 N ALA A 21 -18.005 -6.342 3.122 1.00 0.00 N ATOM 277 CA ALA A 21 -18.489 -6.934 1.881 1.00 0.00 C ATOM 278 C ALA A 21 -18.767 -8.423 2.055 1.00 0.00 C ATOM 279 O ALA A 21 -19.829 -8.915 1.676 1.00 0.00 O ATOM 280 CB ALA A 21 -17.482 -6.711 0.762 1.00 0.00 C ATOM 0 H ALA A 21 -17.011 -6.487 3.300 1.00 0.00 H new ATOM 0 HA ALA A 21 -19.426 -6.444 1.615 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -17.856 -7.158 -0.159 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -17.335 -5.641 0.612 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -16.532 -7.173 1.030 1.00 0.00 H new ATOM 286 N GLY A 22 -17.805 -9.137 2.631 1.00 0.00 N ATOM 287 CA GLY A 22 -17.966 -10.564 2.844 1.00 0.00 C ATOM 288 C GLY A 22 -16.639 -11.292 2.918 1.00 0.00 C ATOM 289 O GLY A 22 -16.375 -12.023 3.873 1.00 0.00 O ATOM 0 H GLY A 22 -16.917 -8.753 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.520 -10.730 3.768 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -18.563 -10.984 2.034 1.00 0.00 H new ATOM 293 N HIS A 23 -15.800 -11.096 1.905 1.00 0.00 N ATOM 294 CA HIS A 23 -14.493 -11.741 1.858 1.00 0.00 C ATOM 295 C HIS A 23 -13.751 -11.562 3.180 1.00 0.00 C ATOM 296 O HIS A 23 -13.765 -10.482 3.770 1.00 0.00 O ATOM 297 CB HIS A 23 -13.660 -11.170 0.711 1.00 0.00 C ATOM 298 CG HIS A 23 -12.728 -12.167 0.093 1.00 0.00 C ATOM 299 ND1 HIS A 23 -11.970 -13.048 0.834 1.00 0.00 N ATOM 300 CD2 HIS A 23 -12.437 -12.420 -1.204 1.00 0.00 C ATOM 301 CE1 HIS A 23 -11.251 -13.799 0.019 1.00 0.00 C ATOM 302 NE2 HIS A 23 -11.516 -13.439 -1.223 1.00 0.00 N ATOM 0 H HIS A 23 -16.003 -10.495 1.106 1.00 0.00 H new ATOM 0 HA HIS A 23 -14.647 -12.807 1.689 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -14.330 -10.786 -0.058 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -13.081 -10.324 1.080 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -12.852 -11.915 -2.064 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -10.563 -14.576 0.318 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -11.104 -13.850 -2.060 1.00 0.00 H new ATOM 310 N HIS A 24 -13.105 -12.629 3.639 1.00 0.00 N ATOM 311 CA HIS A 24 -12.358 -12.590 4.891 1.00 0.00 C ATOM 312 C HIS A 24 -11.678 -11.237 5.076 1.00 0.00 C ATOM 313 O HIS A 24 -11.394 -10.521 4.115 1.00 0.00 O ATOM 314 CB HIS A 24 -11.314 -13.707 4.921 1.00 0.00 C ATOM 315 CG HIS A 24 -9.968 -13.281 4.421 1.00 0.00 C ATOM 316 ND1 HIS A 24 -9.583 -12.793 3.218 1.00 0.00 N flip ATOM 317 CD2 HIS A 24 -8.826 -13.337 5.193 1.00 0.00 C flip ATOM 318 CE1 HIS A 24 -8.231 -12.564 3.285 1.00 0.00 C flip ATOM 319 NE2 HIS A 24 -7.799 -12.899 4.487 1.00 0.00 N flip ATOM 0 H HIS A 24 -13.084 -13.531 3.163 1.00 0.00 H new ATOM 0 HA HIS A 24 -13.062 -12.738 5.710 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -11.214 -14.073 5.943 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -11.669 -14.542 4.317 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -10.185 -12.627 2.412 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -8.779 -13.684 6.214 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -7.620 -12.173 2.485 1.00 0.00 H new ATOM 327 N PRO A 25 -11.411 -10.876 6.340 1.00 0.00 N ATOM 328 CA PRO A 25 -10.762 -9.606 6.680 1.00 0.00 C ATOM 329 C PRO A 25 -9.297 -9.572 6.257 1.00 0.00 C ATOM 330 O PRO A 25 -8.752 -10.573 5.794 1.00 0.00 O ATOM 331 CB PRO A 25 -10.880 -9.545 8.205 1.00 0.00 C ATOM 332 CG PRO A 25 -10.984 -10.968 8.634 1.00 0.00 C ATOM 333 CD PRO A 25 -11.722 -11.679 7.534 1.00 0.00 C ATOM 0 HA PRO A 25 -11.225 -8.762 6.169 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.011 -9.060 8.650 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.756 -8.974 8.512 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -9.996 -11.403 8.786 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -11.518 -11.052 9.580 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -11.384 -12.710 7.424 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.794 -11.714 7.727 1.00 0.00 H new ATOM 341 N ASN A 26 -8.666 -8.414 6.420 1.00 0.00 N ATOM 342 CA ASN A 26 -7.264 -8.250 6.055 1.00 0.00 C ATOM 343 C ASN A 26 -7.067 -8.436 4.553 1.00 0.00 C ATOM 344 O ASN A 26 -6.131 -9.107 4.119 1.00 0.00 O ATOM 345 CB ASN A 26 -6.395 -9.249 6.822 1.00 0.00 C ATOM 346 CG ASN A 26 -6.514 -9.084 8.325 1.00 0.00 C ATOM 347 OD1 ASN A 26 -7.435 -8.433 8.818 1.00 0.00 O ATOM 348 ND2 ASN A 26 -5.580 -9.676 9.060 1.00 0.00 N ATOM 0 H ASN A 26 -9.103 -7.576 6.802 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.962 -7.237 6.321 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.683 -10.263 6.547 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -5.353 -9.122 6.527 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.608 -9.601 10.077 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.835 -10.206 8.608 1.00 0.00 H new ATOM 355 N GLN A 27 -7.956 -7.838 3.767 1.00 0.00 N ATOM 356 CA GLN A 27 -7.880 -7.938 2.314 1.00 0.00 C ATOM 357 C GLN A 27 -7.134 -6.746 1.725 1.00 0.00 C ATOM 358 O GLN A 27 -6.343 -6.895 0.792 1.00 0.00 O ATOM 359 CB GLN A 27 -9.284 -8.024 1.714 1.00 0.00 C ATOM 360 CG GLN A 27 -10.196 -6.882 2.133 1.00 0.00 C ATOM 361 CD GLN A 27 -11.545 -6.929 1.443 1.00 0.00 C ATOM 362 OE1 GLN A 27 -11.775 -6.230 0.456 1.00 0.00 O ATOM 363 NE2 GLN A 27 -12.446 -7.756 1.961 1.00 0.00 N ATOM 0 H GLN A 27 -8.737 -7.279 4.111 1.00 0.00 H new ATOM 0 HA GLN A 27 -7.330 -8.846 2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -9.205 -8.035 0.627 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -9.739 -8.969 2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.343 -6.917 3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.710 -5.933 1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.212 -8.317 2.780 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -13.372 -7.830 1.540 1.00 0.00 H new ATOM 372 N TYR A 28 -7.390 -5.564 2.273 1.00 0.00 N ATOM 373 CA TYR A 28 -6.745 -4.345 1.800 1.00 0.00 C ATOM 374 C TYR A 28 -6.338 -3.454 2.969 1.00 0.00 C ATOM 375 O TYR A 28 -6.990 -3.444 4.013 1.00 0.00 O ATOM 376 CB TYR A 28 -7.680 -3.579 0.862 1.00 0.00 C ATOM 377 CG TYR A 28 -7.754 -4.163 -0.530 1.00 0.00 C ATOM 378 CD1 TYR A 28 -8.363 -5.390 -0.759 1.00 0.00 C ATOM 379 CD2 TYR A 28 -7.214 -3.487 -1.618 1.00 0.00 C ATOM 380 CE1 TYR A 28 -8.432 -5.928 -2.029 1.00 0.00 C ATOM 381 CE2 TYR A 28 -7.280 -4.016 -2.892 1.00 0.00 C ATOM 382 CZ TYR A 28 -7.889 -5.237 -3.092 1.00 0.00 C ATOM 383 OH TYR A 28 -7.957 -5.769 -4.360 1.00 0.00 O ATOM 0 H TYR A 28 -8.040 -5.424 3.046 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.846 -4.629 1.254 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.681 -3.563 1.294 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.345 -2.544 0.795 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.790 -5.933 0.071 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -6.735 -2.532 -1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.908 -6.884 -2.189 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.857 -3.477 -3.727 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.529 -5.157 -4.995 1.00 0.00 H new ATOM 393 N ALA A 29 -5.254 -2.707 2.786 1.00 0.00 N ATOM 394 CA ALA A 29 -4.759 -1.811 3.824 1.00 0.00 C ATOM 395 C ALA A 29 -5.088 -0.358 3.497 1.00 0.00 C ATOM 396 O ALA A 29 -4.871 0.101 2.375 1.00 0.00 O ATOM 397 CB ALA A 29 -3.259 -1.987 4.003 1.00 0.00 C ATOM 0 H ALA A 29 -4.702 -2.705 1.928 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.257 -2.068 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.904 -1.312 4.781 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.045 -3.016 4.291 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.752 -1.759 3.066 1.00 0.00 H new ATOM 403 N THR A 30 -5.613 0.361 4.483 1.00 0.00 N ATOM 404 CA THR A 30 -5.974 1.762 4.299 1.00 0.00 C ATOM 405 C THR A 30 -4.865 2.684 4.792 1.00 0.00 C ATOM 406 O THR A 30 -4.613 2.783 5.993 1.00 0.00 O ATOM 407 CB THR A 30 -7.280 2.107 5.039 1.00 0.00 C ATOM 408 OG1 THR A 30 -8.275 1.115 4.765 1.00 0.00 O ATOM 409 CG2 THR A 30 -7.793 3.477 4.620 1.00 0.00 C ATOM 0 H THR A 30 -5.798 -0.003 5.418 1.00 0.00 H new ATOM 0 HA THR A 30 -6.120 1.913 3.230 1.00 0.00 H new ATOM 0 HB THR A 30 -7.072 2.126 6.109 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.102 1.341 5.241 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.716 3.699 5.155 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.045 4.234 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.986 3.481 3.547 1.00 0.00 H new ATOM 417 N CYS A 31 -4.204 3.359 3.857 1.00 0.00 N ATOM 418 CA CYS A 31 -3.121 4.275 4.196 1.00 0.00 C ATOM 419 C CYS A 31 -3.609 5.368 5.143 1.00 0.00 C ATOM 420 O CYS A 31 -4.532 6.116 4.820 1.00 0.00 O ATOM 421 CB CYS A 31 -2.542 4.904 2.928 1.00 0.00 C ATOM 422 SG CYS A 31 -0.907 5.673 3.159 1.00 0.00 S ATOM 0 H CYS A 31 -4.400 3.289 2.858 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.340 3.705 4.700 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.465 4.137 2.157 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -3.237 5.658 2.559 1.00 0.00 H new ATOM 427 N ARG A 32 -2.983 5.453 6.312 1.00 0.00 N ATOM 428 CA ARG A 32 -3.353 6.453 7.306 1.00 0.00 C ATOM 429 C ARG A 32 -2.698 7.796 6.996 1.00 0.00 C ATOM 430 O ARG A 32 -2.831 8.755 7.758 1.00 0.00 O ATOM 431 CB ARG A 32 -2.948 5.987 8.705 1.00 0.00 C ATOM 432 CG ARG A 32 -3.555 4.651 9.102 1.00 0.00 C ATOM 433 CD ARG A 32 -3.057 4.196 10.465 1.00 0.00 C ATOM 434 NE ARG A 32 -3.441 5.124 11.525 1.00 0.00 N ATOM 435 CZ ARG A 32 -3.705 4.748 12.771 1.00 0.00 C ATOM 436 NH1 ARG A 32 -3.627 3.469 13.112 1.00 0.00 N ATOM 437 NH2 ARG A 32 -4.047 5.652 13.680 1.00 0.00 N ATOM 0 H ARG A 32 -2.217 4.841 6.594 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.435 6.579 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.862 5.911 8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.248 6.743 9.431 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.642 4.735 9.120 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.305 3.900 8.353 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -3.458 3.207 10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -1.971 4.102 10.441 1.00 0.00 H new ATOM 0 HE ARG A 32 -3.510 6.116 11.296 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -3.364 2.771 12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.830 3.183 14.070 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.107 6.637 13.422 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.250 5.362 14.637 1.00 0.00 H new ATOM 451 N LEU A 33 -1.991 7.858 5.873 1.00 0.00 N ATOM 452 CA LEU A 33 -1.314 9.083 5.462 1.00 0.00 C ATOM 453 C LEU A 33 -2.161 9.864 4.463 1.00 0.00 C ATOM 454 O LEU A 33 -2.340 11.075 4.596 1.00 0.00 O ATOM 455 CB LEU A 33 0.048 8.756 4.847 1.00 0.00 C ATOM 456 CG LEU A 33 1.181 8.476 5.835 1.00 0.00 C ATOM 457 CD1 LEU A 33 2.427 8.008 5.099 1.00 0.00 C ATOM 458 CD2 LEU A 33 1.482 9.715 6.665 1.00 0.00 C ATOM 0 H LEU A 33 -1.872 7.075 5.231 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.166 9.701 6.347 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.067 7.886 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.346 9.589 4.210 1.00 0.00 H new ATOM 0 HG LEU A 33 0.863 7.681 6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.223 7.814 5.818 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.203 7.094 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.749 8.781 4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.291 9.498 7.363 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.780 10.531 6.006 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.591 10.005 7.221 1.00 0.00 H new ATOM 470 N CYS A 34 -2.683 9.163 3.462 1.00 0.00 N ATOM 471 CA CYS A 34 -3.514 9.789 2.440 1.00 0.00 C ATOM 472 C CYS A 34 -4.879 9.112 2.359 1.00 0.00 C ATOM 473 O CYS A 34 -5.889 9.759 2.088 1.00 0.00 O ATOM 474 CB CYS A 34 -2.819 9.725 1.079 1.00 0.00 C ATOM 475 SG CYS A 34 -2.619 8.037 0.424 1.00 0.00 S ATOM 0 H CYS A 34 -2.545 8.160 3.337 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.662 10.833 2.716 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.391 10.315 0.363 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.836 10.189 1.163 1.00 0.00 H new ATOM 480 N GLY A 35 -4.900 7.804 2.596 1.00 0.00 N ATOM 481 CA GLY A 35 -6.145 7.060 2.546 1.00 0.00 C ATOM 482 C GLY A 35 -6.225 6.145 1.340 1.00 0.00 C ATOM 483 O GLY A 35 -7.310 5.708 0.955 1.00 0.00 O ATOM 0 H GLY A 35 -4.077 7.246 2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.248 6.468 3.455 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -6.982 7.758 2.525 1.00 0.00 H new ATOM 487 N ARG A 36 -5.075 5.855 0.741 1.00 0.00 N ATOM 488 CA ARG A 36 -5.020 4.988 -0.430 1.00 0.00 C ATOM 489 C ARG A 36 -5.121 3.521 -0.025 1.00 0.00 C ATOM 490 O ARG A 36 -4.541 3.102 0.976 1.00 0.00 O ATOM 491 CB ARG A 36 -3.723 5.226 -1.206 1.00 0.00 C ATOM 492 CG ARG A 36 -3.817 6.356 -2.218 1.00 0.00 C ATOM 493 CD ARG A 36 -4.250 5.847 -3.583 1.00 0.00 C ATOM 494 NE ARG A 36 -3.109 5.467 -4.413 1.00 0.00 N ATOM 495 CZ ARG A 36 -2.378 6.338 -5.100 1.00 0.00 C ATOM 496 NH1 ARG A 36 -2.667 7.631 -5.057 1.00 0.00 N ATOM 497 NH2 ARG A 36 -1.356 5.915 -5.832 1.00 0.00 N ATOM 0 H ARG A 36 -4.168 6.208 1.047 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.868 5.229 -1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.923 5.448 -0.500 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.446 4.308 -1.724 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.527 7.104 -1.865 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.850 6.851 -2.303 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.909 4.988 -3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.827 6.619 -4.092 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.860 4.479 -4.468 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.452 7.960 -4.495 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.104 8.297 -5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.131 4.921 -5.868 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.795 6.584 -6.359 1.00 0.00 H new ATOM 511 N GLN A 37 -5.863 2.746 -0.810 1.00 0.00 N ATOM 512 CA GLN A 37 -6.042 1.326 -0.532 1.00 0.00 C ATOM 513 C GLN A 37 -4.902 0.507 -1.129 1.00 0.00 C ATOM 514 O GLN A 37 -4.771 0.403 -2.349 1.00 0.00 O ATOM 515 CB GLN A 37 -7.381 0.840 -1.089 1.00 0.00 C ATOM 516 CG GLN A 37 -8.578 1.609 -0.553 1.00 0.00 C ATOM 517 CD GLN A 37 -9.895 0.920 -0.850 1.00 0.00 C ATOM 518 OE1 GLN A 37 -9.929 -0.126 -1.499 1.00 0.00 O ATOM 519 NE2 GLN A 37 -10.989 1.504 -0.377 1.00 0.00 N ATOM 0 H GLN A 37 -6.349 3.078 -1.643 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.036 1.190 0.549 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.364 0.922 -2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.502 -0.217 -0.851 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.472 1.733 0.525 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.588 2.608 -0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.915 2.370 0.156 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -11.904 1.086 -0.547 1.00 0.00 H new ATOM 528 N VAL A 38 -4.079 -0.073 -0.261 1.00 0.00 N ATOM 529 CA VAL A 38 -2.950 -0.883 -0.703 1.00 0.00 C ATOM 530 C VAL A 38 -3.130 -2.342 -0.300 1.00 0.00 C ATOM 531 O VAL A 38 -3.230 -2.662 0.885 1.00 0.00 O ATOM 532 CB VAL A 38 -1.623 -0.362 -0.121 1.00 0.00 C ATOM 533 CG1 VAL A 38 -0.458 -1.216 -0.597 1.00 0.00 C ATOM 534 CG2 VAL A 38 -1.413 1.097 -0.498 1.00 0.00 C ATOM 0 H VAL A 38 -4.173 0.003 0.752 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.915 -0.810 -1.790 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.672 -0.430 0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.471 -0.832 -0.175 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.605 -2.246 -0.272 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.403 -1.183 -1.685 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.471 1.449 -0.079 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -1.385 1.192 -1.584 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -2.233 1.697 -0.102 1.00 0.00 H new ATOM 544 N SER A 39 -3.171 -3.225 -1.293 1.00 0.00 N ATOM 545 CA SER A 39 -3.342 -4.651 -1.043 1.00 0.00 C ATOM 546 C SER A 39 -2.004 -5.380 -1.116 1.00 0.00 C ATOM 547 O SER A 39 -1.342 -5.382 -2.154 1.00 0.00 O ATOM 548 CB SER A 39 -4.321 -5.254 -2.053 1.00 0.00 C ATOM 549 OG SER A 39 -3.894 -5.013 -3.382 1.00 0.00 O ATOM 0 H SER A 39 -3.088 -2.977 -2.279 1.00 0.00 H new ATOM 0 HA SER A 39 -3.747 -4.772 -0.038 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.407 -6.327 -1.884 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.313 -4.827 -1.903 1.00 0.00 H new ATOM 0 HG SER A 39 -2.917 -5.068 -3.427 1.00 0.00 H new ATOM 555 N ARG A 40 -1.613 -5.999 -0.007 1.00 0.00 N ATOM 556 CA ARG A 40 -0.354 -6.732 0.056 1.00 0.00 C ATOM 557 C ARG A 40 -0.209 -7.667 -1.141 1.00 0.00 C ATOM 558 O ARG A 40 0.601 -7.426 -2.036 1.00 0.00 O ATOM 559 CB ARG A 40 -0.270 -7.533 1.356 1.00 0.00 C ATOM 560 CG ARG A 40 -0.467 -6.690 2.605 1.00 0.00 C ATOM 561 CD ARG A 40 -0.473 -7.548 3.861 1.00 0.00 C ATOM 562 NE ARG A 40 -1.742 -8.247 4.040 1.00 0.00 N ATOM 563 CZ ARG A 40 -1.869 -9.372 4.736 1.00 0.00 C ATOM 564 NH1 ARG A 40 -0.811 -9.921 5.315 1.00 0.00 N ATOM 565 NH2 ARG A 40 -3.058 -9.949 4.854 1.00 0.00 N ATOM 0 H ARG A 40 -2.150 -6.008 0.860 1.00 0.00 H new ATOM 0 HA ARG A 40 0.461 -6.008 0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.023 -8.320 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.702 -8.023 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.329 -5.948 2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.407 -6.143 2.532 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.337 -8.275 3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.280 -6.919 4.730 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.576 -7.851 3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.105 -9.480 5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.912 -10.784 5.848 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.875 -9.529 4.410 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.155 -10.812 5.388 1.00 0.00 H new ATOM 579 N GLY A 41 -0.999 -8.736 -1.150 1.00 0.00 N ATOM 580 CA GLY A 41 -0.943 -9.691 -2.241 1.00 0.00 C ATOM 581 C GLY A 41 -0.225 -10.969 -1.856 1.00 0.00 C ATOM 582 O GLY A 41 0.162 -11.166 -0.704 1.00 0.00 O ATOM 0 H GLY A 41 -1.677 -8.958 -0.421 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.957 -9.930 -2.563 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.437 -9.236 -3.093 1.00 0.00 H new ATOM 586 N PRO A 42 -0.038 -11.866 -2.836 1.00 0.00 N ATOM 587 CA PRO A 42 0.638 -13.148 -2.617 1.00 0.00 C ATOM 588 C PRO A 42 2.131 -12.979 -2.354 1.00 0.00 C ATOM 589 O PRO A 42 2.664 -13.510 -1.381 1.00 0.00 O ATOM 590 CB PRO A 42 0.408 -13.899 -3.931 1.00 0.00 C ATOM 591 CG PRO A 42 0.210 -12.830 -4.949 1.00 0.00 C ATOM 592 CD PRO A 42 -0.473 -11.698 -4.233 1.00 0.00 C ATOM 0 HA PRO A 42 0.252 -13.668 -1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.261 -14.530 -4.181 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.463 -14.551 -3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.164 -12.508 -5.368 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.398 -13.190 -5.779 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -0.173 -10.730 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -1.557 -11.759 -4.326 1.00 0.00 H new ATOM 600 N GLY A 43 2.800 -12.234 -3.229 1.00 0.00 N ATOM 601 CA GLY A 43 4.225 -12.008 -3.073 1.00 0.00 C ATOM 602 C GLY A 43 4.530 -10.775 -2.246 1.00 0.00 C ATOM 603 O GLY A 43 4.873 -9.725 -2.787 1.00 0.00 O ATOM 0 H GLY A 43 2.381 -11.783 -4.042 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.678 -12.880 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.683 -11.904 -4.057 1.00 0.00 H new ATOM 607 N VAL A 44 4.402 -10.902 -0.929 1.00 0.00 N ATOM 608 CA VAL A 44 4.665 -9.789 -0.024 1.00 0.00 C ATOM 609 C VAL A 44 5.694 -10.172 1.033 1.00 0.00 C ATOM 610 O VAL A 44 6.137 -9.332 1.816 1.00 0.00 O ATOM 611 CB VAL A 44 3.377 -9.318 0.676 1.00 0.00 C ATOM 612 CG1 VAL A 44 2.303 -8.986 -0.349 1.00 0.00 C ATOM 613 CG2 VAL A 44 2.885 -10.375 1.653 1.00 0.00 C ATOM 0 H VAL A 44 4.118 -11.765 -0.465 1.00 0.00 H new ATOM 0 HA VAL A 44 5.058 -8.974 -0.631 1.00 0.00 H new ATOM 0 HB VAL A 44 3.600 -8.412 1.239 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.400 -8.655 0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.659 -8.192 -1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.079 -9.873 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.974 -10.026 2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.677 -11.300 1.115 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.651 -10.558 2.407 1.00 0.00 H new ATOM 623 N ASN A 45 6.072 -11.446 1.050 1.00 0.00 N ATOM 624 CA ASN A 45 7.049 -11.941 2.012 1.00 0.00 C ATOM 625 C ASN A 45 8.455 -11.921 1.419 1.00 0.00 C ATOM 626 O ASN A 45 9.190 -12.905 1.502 1.00 0.00 O ATOM 627 CB ASN A 45 6.690 -13.362 2.451 1.00 0.00 C ATOM 628 CG ASN A 45 5.350 -13.428 3.158 1.00 0.00 C ATOM 629 OD1 ASN A 45 5.277 -13.340 4.384 1.00 0.00 O ATOM 630 ND2 ASN A 45 4.281 -13.582 2.385 1.00 0.00 N ATOM 0 H ASN A 45 5.716 -12.154 0.408 1.00 0.00 H new ATOM 0 HA ASN A 45 7.030 -11.284 2.881 1.00 0.00 H new ATOM 0 HB2 ASN A 45 6.670 -14.015 1.578 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.467 -13.741 3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 45 3.352 -13.632 2.803 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.389 -13.650 1.373 1.00 0.00 H new ATOM 637 N VAL A 46 8.822 -10.792 0.820 1.00 0.00 N ATOM 638 CA VAL A 46 10.140 -10.642 0.214 1.00 0.00 C ATOM 639 C VAL A 46 11.004 -9.671 1.012 1.00 0.00 C ATOM 640 O VAL A 46 12.206 -9.557 0.777 1.00 0.00 O ATOM 641 CB VAL A 46 10.035 -10.144 -1.239 1.00 0.00 C ATOM 642 CG1 VAL A 46 9.353 -11.185 -2.113 1.00 0.00 C ATOM 643 CG2 VAL A 46 9.291 -8.818 -1.296 1.00 0.00 C ATOM 0 H VAL A 46 8.225 -9.968 0.742 1.00 0.00 H new ATOM 0 HA VAL A 46 10.606 -11.627 0.220 1.00 0.00 H new ATOM 0 HB VAL A 46 11.043 -9.986 -1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.288 -10.815 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.931 -12.109 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.350 -11.379 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.226 -8.481 -2.331 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.287 -8.947 -0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 46 9.826 -8.075 -0.705 1.00 0.00 H new ATOM 653 N GLY A 47 10.382 -8.972 1.957 1.00 0.00 N ATOM 654 CA GLY A 47 11.109 -8.020 2.775 1.00 0.00 C ATOM 655 C GLY A 47 10.489 -6.637 2.746 1.00 0.00 C ATOM 656 O GLY A 47 10.275 -6.021 3.791 1.00 0.00 O ATOM 0 H GLY A 47 9.387 -9.049 2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.140 -8.379 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.140 -7.960 2.427 1.00 0.00 H new ATOM 660 N THR A 48 10.199 -6.146 1.545 1.00 0.00 N ATOM 661 CA THR A 48 9.602 -4.826 1.384 1.00 0.00 C ATOM 662 C THR A 48 8.080 -4.908 1.379 1.00 0.00 C ATOM 663 O THR A 48 7.468 -5.236 0.362 1.00 0.00 O ATOM 664 CB THR A 48 10.072 -4.152 0.081 1.00 0.00 C ATOM 665 OG1 THR A 48 11.501 -4.198 -0.006 1.00 0.00 O ATOM 666 CG2 THR A 48 9.601 -2.707 0.018 1.00 0.00 C ATOM 0 H THR A 48 10.368 -6.642 0.670 1.00 0.00 H new ATOM 0 HA THR A 48 9.928 -4.226 2.233 1.00 0.00 H new ATOM 0 HB THR A 48 9.639 -4.695 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 48 11.792 -3.769 -0.838 1.00 0.00 H new ATOM 0 HG21 THR A 48 9.945 -2.252 -0.911 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.512 -2.677 0.055 1.00 0.00 H new ATOM 0 HG23 THR A 48 10.008 -2.154 0.865 1.00 0.00 H new ATOM 674 N THR A 49 7.472 -4.606 2.522 1.00 0.00 N ATOM 675 CA THR A 49 6.021 -4.646 2.650 1.00 0.00 C ATOM 676 C THR A 49 5.354 -3.717 1.641 1.00 0.00 C ATOM 677 O THR A 49 5.664 -2.528 1.579 1.00 0.00 O ATOM 678 CB THR A 49 5.570 -4.251 4.069 1.00 0.00 C ATOM 679 OG1 THR A 49 6.444 -4.837 5.041 1.00 0.00 O ATOM 680 CG2 THR A 49 4.140 -4.701 4.328 1.00 0.00 C ATOM 0 H THR A 49 7.963 -4.331 3.373 1.00 0.00 H new ATOM 0 HA THR A 49 5.715 -5.673 2.452 1.00 0.00 H new ATOM 0 HB THR A 49 5.612 -3.165 4.151 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.152 -4.580 5.941 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.844 -4.411 5.336 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.474 -4.230 3.605 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.076 -5.785 4.229 1.00 0.00 H new ATOM 688 N ALA A 50 4.437 -4.268 0.853 1.00 0.00 N ATOM 689 CA ALA A 50 3.725 -3.488 -0.151 1.00 0.00 C ATOM 690 C ALA A 50 3.474 -2.065 0.335 1.00 0.00 C ATOM 691 O ALA A 50 3.496 -1.116 -0.450 1.00 0.00 O ATOM 692 CB ALA A 50 2.410 -4.164 -0.511 1.00 0.00 C ATOM 0 H ALA A 50 4.170 -5.252 0.891 1.00 0.00 H new ATOM 0 HA ALA A 50 4.350 -3.435 -1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.889 -3.570 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.609 -5.159 -0.909 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.788 -4.248 0.380 1.00 0.00 H new ATOM 698 N LEU A 51 3.234 -1.922 1.634 1.00 0.00 N ATOM 699 CA LEU A 51 2.978 -0.614 2.226 1.00 0.00 C ATOM 700 C LEU A 51 4.119 0.353 1.924 1.00 0.00 C ATOM 701 O LEU A 51 3.890 1.479 1.482 1.00 0.00 O ATOM 702 CB LEU A 51 2.793 -0.744 3.739 1.00 0.00 C ATOM 703 CG LEU A 51 1.789 -1.799 4.203 1.00 0.00 C ATOM 704 CD1 LEU A 51 1.849 -1.965 5.714 1.00 0.00 C ATOM 705 CD2 LEU A 51 0.381 -1.427 3.762 1.00 0.00 C ATOM 0 H LEU A 51 3.211 -2.696 2.297 1.00 0.00 H new ATOM 0 HA LEU A 51 2.063 -0.217 1.787 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.761 -0.971 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.481 0.224 4.131 1.00 0.00 H new ATOM 0 HG LEU A 51 2.053 -2.751 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.127 -2.720 6.026 1.00 0.00 H new ATOM 0 HD12 LEU A 51 2.851 -2.278 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.611 -1.016 6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.320 -2.190 4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.107 -0.464 4.194 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.346 -1.360 2.675 1.00 0.00 H new ATOM 717 N TRP A 52 5.346 -0.094 2.162 1.00 0.00 N ATOM 718 CA TRP A 52 6.522 0.731 1.913 1.00 0.00 C ATOM 719 C TRP A 52 6.527 1.254 0.481 1.00 0.00 C ATOM 720 O TRP A 52 6.699 2.451 0.247 1.00 0.00 O ATOM 721 CB TRP A 52 7.798 -0.069 2.181 1.00 0.00 C ATOM 722 CG TRP A 52 8.049 -0.316 3.638 1.00 0.00 C ATOM 723 CD1 TRP A 52 7.872 -1.490 4.312 1.00 0.00 C ATOM 724 CD2 TRP A 52 8.521 0.634 4.599 1.00 0.00 C ATOM 725 NE1 TRP A 52 8.206 -1.328 5.635 1.00 0.00 N ATOM 726 CE2 TRP A 52 8.608 -0.034 5.837 1.00 0.00 C ATOM 727 CE3 TRP A 52 8.881 1.983 4.535 1.00 0.00 C ATOM 728 CZ2 TRP A 52 9.038 0.604 6.997 1.00 0.00 C ATOM 729 CZ3 TRP A 52 9.308 2.614 5.688 1.00 0.00 C ATOM 730 CH2 TRP A 52 9.384 1.924 6.906 1.00 0.00 C ATOM 0 H TRP A 52 5.553 -1.024 2.527 1.00 0.00 H new ATOM 0 HA TRP A 52 6.487 1.584 2.591 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.734 -1.026 1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 52 8.649 0.465 1.759 1.00 0.00 H new ATOM 0 HD1 TRP A 52 7.521 -2.411 3.870 1.00 0.00 H new ATOM 0 HE1 TRP A 52 8.162 -2.054 6.351 1.00 0.00 H new ATOM 0 HE3 TRP A 52 8.826 2.523 3.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 9.096 0.075 7.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 9.588 3.656 5.650 1.00 0.00 H new ATOM 0 HH2 TRP A 52 9.722 2.445 7.790 1.00 0.00 H new ATOM 741 N LYS A 53 6.335 0.351 -0.475 1.00 0.00 N ATOM 742 CA LYS A 53 6.316 0.722 -1.885 1.00 0.00 C ATOM 743 C LYS A 53 5.448 1.956 -2.111 1.00 0.00 C ATOM 744 O LYS A 53 5.815 2.854 -2.869 1.00 0.00 O ATOM 745 CB LYS A 53 5.797 -0.442 -2.732 1.00 0.00 C ATOM 746 CG LYS A 53 6.819 -1.547 -2.939 1.00 0.00 C ATOM 747 CD LYS A 53 6.314 -2.597 -3.914 1.00 0.00 C ATOM 748 CE LYS A 53 5.568 -3.711 -3.196 1.00 0.00 C ATOM 749 NZ LYS A 53 5.653 -5.002 -3.934 1.00 0.00 N ATOM 0 H LYS A 53 6.190 -0.643 -0.299 1.00 0.00 H new ATOM 0 HA LYS A 53 7.336 0.957 -2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.912 -0.862 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.484 -0.062 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.749 -1.119 -3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.047 -2.017 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.655 -2.129 -4.645 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.155 -3.017 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.980 -3.837 -2.195 1.00 0.00 H new ATOM 0 HE3 LYS A 53 4.522 -3.429 -3.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.132 -5.735 -3.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.237 -4.889 -4.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 6.650 -5.284 -4.026 1.00 0.00 H new ATOM 763 N HIS A 54 4.296 1.993 -1.448 1.00 0.00 N ATOM 764 CA HIS A 54 3.377 3.119 -1.576 1.00 0.00 C ATOM 765 C HIS A 54 3.917 4.346 -0.848 1.00 0.00 C ATOM 766 O HIS A 54 3.831 5.467 -1.352 1.00 0.00 O ATOM 767 CB HIS A 54 2.002 2.747 -1.022 1.00 0.00 C ATOM 768 CG HIS A 54 1.010 3.868 -1.077 1.00 0.00 C ATOM 769 ND1 HIS A 54 0.379 4.257 -2.240 1.00 0.00 N ATOM 770 CD2 HIS A 54 0.541 4.684 -0.104 1.00 0.00 C ATOM 771 CE1 HIS A 54 -0.434 5.265 -1.980 1.00 0.00 C ATOM 772 NE2 HIS A 54 -0.355 5.543 -0.691 1.00 0.00 N ATOM 0 H HIS A 54 3.977 1.257 -0.818 1.00 0.00 H new ATOM 0 HA HIS A 54 3.281 3.360 -2.635 1.00 0.00 H new ATOM 0 HB2 HIS A 54 1.611 1.899 -1.584 1.00 0.00 H new ATOM 0 HB3 HIS A 54 2.112 2.421 0.012 1.00 0.00 H new ATOM 0 HD1 HIS A 54 0.518 3.833 -3.157 1.00 0.00 H new ATOM 0 HD2 HIS A 54 0.820 4.663 0.939 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.058 5.775 -2.699 1.00 0.00 H new ATOM 780 N LEU A 55 4.472 4.128 0.339 1.00 0.00 N ATOM 781 CA LEU A 55 5.026 5.217 1.137 1.00 0.00 C ATOM 782 C LEU A 55 6.139 5.934 0.380 1.00 0.00 C ATOM 783 O LEU A 55 6.155 7.163 0.296 1.00 0.00 O ATOM 784 CB LEU A 55 5.560 4.680 2.466 1.00 0.00 C ATOM 785 CG LEU A 55 4.523 4.064 3.406 1.00 0.00 C ATOM 786 CD1 LEU A 55 5.207 3.263 4.503 1.00 0.00 C ATOM 787 CD2 LEU A 55 3.638 5.147 4.007 1.00 0.00 C ATOM 0 H LEU A 55 4.551 3.207 0.770 1.00 0.00 H new ATOM 0 HA LEU A 55 4.228 5.933 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.319 3.928 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.058 5.495 2.991 1.00 0.00 H new ATOM 0 HG LEU A 55 3.893 3.387 2.828 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.454 2.832 5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 55 5.798 2.464 4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.861 3.918 5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.906 4.691 4.673 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.253 5.849 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.120 5.678 3.209 1.00 0.00 H new ATOM 799 N LYS A 56 7.068 5.160 -0.170 1.00 0.00 N ATOM 800 CA LYS A 56 8.184 5.720 -0.923 1.00 0.00 C ATOM 801 C LYS A 56 7.738 6.153 -2.315 1.00 0.00 C ATOM 802 O LYS A 56 8.485 6.810 -3.041 1.00 0.00 O ATOM 803 CB LYS A 56 9.316 4.697 -1.033 1.00 0.00 C ATOM 804 CG LYS A 56 9.729 4.099 0.301 1.00 0.00 C ATOM 805 CD LYS A 56 10.234 2.675 0.142 1.00 0.00 C ATOM 806 CE LYS A 56 11.045 2.233 1.351 1.00 0.00 C ATOM 807 NZ LYS A 56 11.254 0.759 1.369 1.00 0.00 N ATOM 0 H LYS A 56 7.070 4.142 -0.108 1.00 0.00 H new ATOM 0 HA LYS A 56 8.547 6.598 -0.388 1.00 0.00 H new ATOM 0 HB2 LYS A 56 9.004 3.894 -1.701 1.00 0.00 H new ATOM 0 HB3 LYS A 56 10.182 5.174 -1.491 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.508 4.714 0.751 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.880 4.111 0.984 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.388 2.001 0.004 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.848 2.604 -0.755 1.00 0.00 H new ATOM 0 HE2 LYS A 56 12.012 2.737 1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 56 10.533 2.538 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.127 0.402 2.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.564 0.303 0.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.217 0.541 1.044 1.00 0.00 H new ATOM 821 N SER A 57 6.516 5.782 -2.682 1.00 0.00 N ATOM 822 CA SER A 57 5.971 6.131 -3.990 1.00 0.00 C ATOM 823 C SER A 57 5.397 7.544 -3.980 1.00 0.00 C ATOM 824 O SER A 57 5.540 8.291 -4.948 1.00 0.00 O ATOM 825 CB SER A 57 4.887 5.131 -4.397 1.00 0.00 C ATOM 826 OG SER A 57 4.232 5.544 -5.584 1.00 0.00 O ATOM 0 H SER A 57 5.884 5.240 -2.093 1.00 0.00 H new ATOM 0 HA SER A 57 6.783 6.093 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.333 4.148 -4.547 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.159 5.031 -3.592 1.00 0.00 H new ATOM 0 HG SER A 57 3.545 4.888 -5.824 1.00 0.00 H new ATOM 832 N MET A 58 4.746 7.904 -2.878 1.00 0.00 N ATOM 833 CA MET A 58 4.151 9.228 -2.741 1.00 0.00 C ATOM 834 C MET A 58 4.610 9.900 -1.450 1.00 0.00 C ATOM 835 O MET A 58 4.759 11.121 -1.393 1.00 0.00 O ATOM 836 CB MET A 58 2.624 9.130 -2.764 1.00 0.00 C ATOM 837 CG MET A 58 2.037 8.509 -1.507 1.00 0.00 C ATOM 838 SD MET A 58 0.319 8.984 -1.235 1.00 0.00 S ATOM 839 CE MET A 58 -0.344 8.817 -2.890 1.00 0.00 C ATOM 0 H MET A 58 4.617 7.298 -2.068 1.00 0.00 H new ATOM 0 HA MET A 58 4.481 9.836 -3.583 1.00 0.00 H new ATOM 0 HB2 MET A 58 2.206 10.128 -2.896 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.319 8.540 -3.628 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.103 7.423 -1.578 1.00 0.00 H new ATOM 0 HG3 MET A 58 2.634 8.809 -0.646 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.430 8.742 -2.841 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.067 9.689 -3.483 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.061 7.918 -3.355 1.00 0.00 H new ATOM 849 N HIS A 59 4.831 9.094 -0.416 1.00 0.00 N ATOM 850 CA HIS A 59 5.273 9.611 0.874 1.00 0.00 C ATOM 851 C HIS A 59 6.789 9.513 1.008 1.00 0.00 C ATOM 852 O HIS A 59 7.320 9.421 2.116 1.00 0.00 O ATOM 853 CB HIS A 59 4.598 8.845 2.013 1.00 0.00 C ATOM 854 CG HIS A 59 3.102 8.863 1.942 1.00 0.00 C ATOM 855 ND1 HIS A 59 2.354 10.008 2.122 1.00 0.00 N ATOM 856 CD2 HIS A 59 2.215 7.869 1.708 1.00 0.00 C ATOM 857 CE1 HIS A 59 1.071 9.716 2.004 1.00 0.00 C ATOM 858 NE2 HIS A 59 0.959 8.424 1.752 1.00 0.00 N ATOM 0 H HIS A 59 4.711 8.082 -0.446 1.00 0.00 H new ATOM 0 HA HIS A 59 4.988 10.661 0.933 1.00 0.00 H new ATOM 0 HB2 HIS A 59 4.942 7.811 1.998 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.914 9.272 2.965 1.00 0.00 H new ATOM 0 HD1 HIS A 59 2.732 10.935 2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.450 6.832 1.521 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.253 10.415 2.098 1.00 0.00 H new ATOM 866 N ARG A 60 7.481 9.532 -0.126 1.00 0.00 N ATOM 867 CA ARG A 60 8.937 9.443 -0.135 1.00 0.00 C ATOM 868 C ARG A 60 9.552 10.505 0.772 1.00 0.00 C ATOM 869 O ARG A 60 10.600 10.285 1.378 1.00 0.00 O ATOM 870 CB ARG A 60 9.470 9.603 -1.560 1.00 0.00 C ATOM 871 CG ARG A 60 10.981 9.746 -1.632 1.00 0.00 C ATOM 872 CD ARG A 60 11.404 10.603 -2.815 1.00 0.00 C ATOM 873 NE ARG A 60 11.093 9.966 -4.092 1.00 0.00 N ATOM 874 CZ ARG A 60 11.920 9.138 -4.720 1.00 0.00 C ATOM 875 NH1 ARG A 60 13.101 8.847 -4.193 1.00 0.00 N ATOM 876 NH2 ARG A 60 11.565 8.597 -5.879 1.00 0.00 N ATOM 0 H ARG A 60 7.057 9.608 -1.051 1.00 0.00 H new ATOM 0 HA ARG A 60 9.218 8.460 0.243 1.00 0.00 H new ATOM 0 HB2 ARG A 60 9.167 8.739 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 60 9.008 10.479 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.350 10.192 -0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 60 11.437 8.760 -1.714 1.00 0.00 H new ATOM 0 HD2 ARG A 60 10.902 11.569 -2.760 1.00 0.00 H new ATOM 0 HD3 ARG A 60 12.475 10.796 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 60 10.192 10.168 -4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 60 13.377 9.259 -3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.733 8.211 -4.678 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.657 8.817 -6.288 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.200 7.961 -6.361 1.00 0.00 H new ATOM 890 N GLU A 61 8.892 11.656 0.859 1.00 0.00 N ATOM 891 CA GLU A 61 9.376 12.751 1.691 1.00 0.00 C ATOM 892 C GLU A 61 9.142 12.456 3.170 1.00 0.00 C ATOM 893 O GLU A 61 10.036 12.630 3.997 1.00 0.00 O ATOM 894 CB GLU A 61 8.682 14.059 1.305 1.00 0.00 C ATOM 895 CG GLU A 61 9.155 14.631 -0.021 1.00 0.00 C ATOM 896 CD GLU A 61 8.348 15.838 -0.458 1.00 0.00 C ATOM 897 OE1 GLU A 61 8.539 16.923 0.131 1.00 0.00 O ATOM 898 OE2 GLU A 61 7.525 15.698 -1.387 1.00 0.00 O ATOM 0 H GLU A 61 8.022 11.854 0.364 1.00 0.00 H new ATOM 0 HA GLU A 61 10.448 12.853 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.607 13.889 1.255 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.852 14.796 2.090 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.205 14.912 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.092 13.859 -0.788 1.00 0.00 H new ATOM 905 N GLU A 62 7.933 12.009 3.494 1.00 0.00 N ATOM 906 CA GLU A 62 7.581 11.691 4.872 1.00 0.00 C ATOM 907 C GLU A 62 8.576 10.702 5.474 1.00 0.00 C ATOM 908 O GLU A 62 9.183 10.969 6.512 1.00 0.00 O ATOM 909 CB GLU A 62 6.166 11.112 4.940 1.00 0.00 C ATOM 910 CG GLU A 62 5.088 12.163 5.145 1.00 0.00 C ATOM 911 CD GLU A 62 4.947 13.093 3.956 1.00 0.00 C ATOM 912 OE1 GLU A 62 4.739 12.591 2.831 1.00 0.00 O ATOM 913 OE2 GLU A 62 5.045 14.323 4.149 1.00 0.00 O ATOM 0 H GLU A 62 7.181 11.859 2.821 1.00 0.00 H new ATOM 0 HA GLU A 62 7.617 12.614 5.451 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.960 10.568 4.018 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.117 10.389 5.755 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.134 11.669 5.330 1.00 0.00 H new ATOM 0 HG3 GLU A 62 5.321 12.749 6.034 1.00 0.00 H new ATOM 920 N LEU A 63 8.737 9.560 4.816 1.00 0.00 N ATOM 921 CA LEU A 63 9.657 8.530 5.285 1.00 0.00 C ATOM 922 C LEU A 63 11.027 9.125 5.597 1.00 0.00 C ATOM 923 O LEU A 63 11.510 9.034 6.725 1.00 0.00 O ATOM 924 CB LEU A 63 9.796 7.426 4.235 1.00 0.00 C ATOM 925 CG LEU A 63 8.510 6.687 3.864 1.00 0.00 C ATOM 926 CD1 LEU A 63 8.781 5.654 2.781 1.00 0.00 C ATOM 927 CD2 LEU A 63 7.901 6.027 5.092 1.00 0.00 C ATOM 0 H LEU A 63 8.242 9.324 3.956 1.00 0.00 H new ATOM 0 HA LEU A 63 9.249 8.103 6.201 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.214 7.865 3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.519 6.696 4.598 1.00 0.00 H new ATOM 0 HG LEU A 63 7.796 7.413 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.854 5.138 2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.171 6.151 1.893 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.512 4.931 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.986 5.506 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.610 5.314 5.511 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.669 6.788 5.837 1.00 0.00 H new ATOM 939 N GLU A 64 11.645 9.736 4.591 1.00 0.00 N ATOM 940 CA GLU A 64 12.958 10.347 4.761 1.00 0.00 C ATOM 941 C GLU A 64 12.942 11.362 5.900 1.00 0.00 C ATOM 942 O GLU A 64 13.892 11.453 6.678 1.00 0.00 O ATOM 943 CB GLU A 64 13.399 11.027 3.463 1.00 0.00 C ATOM 944 CG GLU A 64 13.632 10.058 2.316 1.00 0.00 C ATOM 945 CD GLU A 64 14.344 10.703 1.143 1.00 0.00 C ATOM 946 OE1 GLU A 64 15.398 11.335 1.362 1.00 0.00 O ATOM 947 OE2 GLU A 64 13.846 10.574 0.005 1.00 0.00 O ATOM 0 H GLU A 64 11.258 9.821 3.651 1.00 0.00 H new ATOM 0 HA GLU A 64 13.669 9.559 5.010 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.641 11.752 3.167 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.317 11.584 3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 64 14.220 9.213 2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.674 9.661 1.981 1.00 0.00 H new ATOM 954 N LYS A 65 11.858 12.124 5.992 1.00 0.00 N ATOM 955 CA LYS A 65 11.716 13.132 7.035 1.00 0.00 C ATOM 956 C LYS A 65 11.835 12.503 8.419 1.00 0.00 C ATOM 957 O LYS A 65 12.556 13.007 9.280 1.00 0.00 O ATOM 958 CB LYS A 65 10.369 13.847 6.902 1.00 0.00 C ATOM 959 CG LYS A 65 10.206 15.018 7.856 1.00 0.00 C ATOM 960 CD LYS A 65 8.927 15.790 7.577 1.00 0.00 C ATOM 961 CE LYS A 65 7.708 15.065 8.125 1.00 0.00 C ATOM 962 NZ LYS A 65 7.670 15.089 9.614 1.00 0.00 N ATOM 0 H LYS A 65 11.063 12.062 5.355 1.00 0.00 H new ATOM 0 HA LYS A 65 12.520 13.859 6.915 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.256 14.204 5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.567 13.130 7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.195 14.653 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.063 15.686 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.994 16.781 8.025 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.814 15.933 6.502 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.803 15.528 7.731 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.714 14.032 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 6.712 14.851 9.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.346 14.394 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.926 16.039 9.953 1.00 0.00 H new ATOM 976 N SER A 66 11.124 11.399 8.626 1.00 0.00 N ATOM 977 CA SER A 66 11.149 10.703 9.907 1.00 0.00 C ATOM 978 C SER A 66 12.494 10.018 10.127 1.00 0.00 C ATOM 979 O SER A 66 13.416 10.163 9.326 1.00 0.00 O ATOM 980 CB SER A 66 10.022 9.670 9.972 1.00 0.00 C ATOM 981 OG SER A 66 8.767 10.297 10.177 1.00 0.00 O ATOM 0 H SER A 66 10.524 10.968 7.923 1.00 0.00 H new ATOM 0 HA SER A 66 11.003 11.441 10.696 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.998 9.095 9.047 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.216 8.965 10.780 1.00 0.00 H new ATOM 0 HG SER A 66 8.063 9.616 10.213 1.00 0.00 H new ATOM 987 N GLY A 67 12.598 9.269 11.221 1.00 0.00 N ATOM 988 CA GLY A 67 13.834 8.573 11.529 1.00 0.00 C ATOM 989 C GLY A 67 13.964 7.264 10.776 1.00 0.00 C ATOM 990 O GLY A 67 14.342 6.243 11.351 1.00 0.00 O ATOM 0 H GLY A 67 11.849 9.132 11.899 1.00 0.00 H new ATOM 0 HA2 GLY A 67 14.680 9.215 11.284 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.881 8.379 12.601 1.00 0.00 H new ATOM 994 N HIS A 68 13.650 7.292 9.484 1.00 0.00 N ATOM 995 CA HIS A 68 13.733 6.097 8.651 1.00 0.00 C ATOM 996 C HIS A 68 14.920 6.181 7.698 1.00 0.00 C ATOM 997 O HIS A 68 14.768 6.536 6.529 1.00 0.00 O ATOM 998 CB HIS A 68 12.439 5.912 7.858 1.00 0.00 C ATOM 999 CG HIS A 68 11.267 5.523 8.705 1.00 0.00 C ATOM 1000 ND1 HIS A 68 10.171 4.849 8.210 1.00 0.00 N ATOM 1001 CD2 HIS A 68 11.025 5.715 10.023 1.00 0.00 C ATOM 1002 CE1 HIS A 68 9.304 4.645 9.186 1.00 0.00 C ATOM 1003 NE2 HIS A 68 9.798 5.161 10.297 1.00 0.00 N ATOM 0 H HIS A 68 13.336 8.128 8.992 1.00 0.00 H new ATOM 0 HA HIS A 68 13.875 5.237 9.305 1.00 0.00 H new ATOM 0 HB2 HIS A 68 12.207 6.840 7.336 1.00 0.00 H new ATOM 0 HB3 HIS A 68 12.596 5.148 7.096 1.00 0.00 H new ATOM 0 HD1 HIS A 68 10.048 4.554 7.241 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.675 6.211 10.728 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.353 4.142 9.091 1.00 0.00 H new ATOM 1011 N GLY A 69 16.105 5.854 8.205 1.00 0.00 N ATOM 1012 CA GLY A 69 17.302 5.900 7.385 1.00 0.00 C ATOM 1013 C GLY A 69 17.640 4.553 6.776 1.00 0.00 C ATOM 1014 O GLY A 69 17.938 3.599 7.494 1.00 0.00 O ATOM 0 H GLY A 69 16.257 5.558 9.169 1.00 0.00 H new ATOM 0 HA2 GLY A 69 17.165 6.631 6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 69 18.141 6.242 7.991 1.00 0.00 H new ATOM 1018 N GLN A 70 17.592 4.476 5.450 1.00 0.00 N ATOM 1019 CA GLN A 70 17.894 3.235 4.747 1.00 0.00 C ATOM 1020 C GLN A 70 17.087 2.074 5.320 1.00 0.00 C ATOM 1021 O GLN A 70 17.611 0.978 5.515 1.00 0.00 O ATOM 1022 CB GLN A 70 19.389 2.925 4.835 1.00 0.00 C ATOM 1023 CG GLN A 70 20.238 3.749 3.880 1.00 0.00 C ATOM 1024 CD GLN A 70 19.661 3.798 2.479 1.00 0.00 C ATOM 1025 OE1 GLN A 70 19.105 4.813 2.060 1.00 0.00 O ATOM 1026 NE2 GLN A 70 19.790 2.698 1.747 1.00 0.00 N ATOM 0 H GLN A 70 17.347 5.257 4.842 1.00 0.00 H new ATOM 0 HA GLN A 70 17.618 3.364 3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 70 19.729 3.102 5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 70 19.545 1.867 4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 70 20.331 4.764 4.266 1.00 0.00 H new ATOM 0 HG3 GLN A 70 21.243 3.330 3.840 1.00 0.00 H new ATOM 0 HE21 GLN A 70 20.258 1.879 2.135 1.00 0.00 H new ATOM 0 HE22 GLN A 70 19.421 2.672 0.797 1.00 0.00 H new ATOM 1035 N SER A 71 15.809 2.324 5.587 1.00 0.00 N ATOM 1036 CA SER A 71 14.931 1.300 6.142 1.00 0.00 C ATOM 1037 C SER A 71 15.001 0.019 5.318 1.00 0.00 C ATOM 1038 O SER A 71 14.470 -0.050 4.210 1.00 0.00 O ATOM 1039 CB SER A 71 13.489 1.809 6.193 1.00 0.00 C ATOM 1040 OG SER A 71 12.583 0.748 6.444 1.00 0.00 O ATOM 0 H SER A 71 15.359 3.225 5.428 1.00 0.00 H new ATOM 0 HA SER A 71 15.267 1.078 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.394 2.565 6.973 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.237 2.292 5.249 1.00 0.00 H new ATOM 0 HG SER A 71 11.680 1.110 6.560 1.00 0.00 H new ATOM 1046 N GLY A 72 15.662 -0.996 5.867 1.00 0.00 N ATOM 1047 CA GLY A 72 15.791 -2.262 5.170 1.00 0.00 C ATOM 1048 C GLY A 72 16.962 -2.278 4.208 1.00 0.00 C ATOM 1049 O GLY A 72 16.793 -2.259 2.989 1.00 0.00 O ATOM 0 H GLY A 72 16.111 -0.964 6.783 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.913 -3.064 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.872 -2.467 4.622 1.00 0.00 H new ATOM 1053 N PRO A 73 18.185 -2.311 4.759 1.00 0.00 N ATOM 1054 CA PRO A 73 19.413 -2.329 3.959 1.00 0.00 C ATOM 1055 C PRO A 73 19.604 -3.647 3.218 1.00 0.00 C ATOM 1056 O PRO A 73 19.994 -3.664 2.051 1.00 0.00 O ATOM 1057 CB PRO A 73 20.518 -2.136 5.001 1.00 0.00 C ATOM 1058 CG PRO A 73 19.932 -2.646 6.273 1.00 0.00 C ATOM 1059 CD PRO A 73 18.462 -2.335 6.205 1.00 0.00 C ATOM 0 HA PRO A 73 19.403 -1.566 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 73 21.418 -2.688 4.730 1.00 0.00 H new ATOM 0 HB3 PRO A 73 20.801 -1.087 5.088 1.00 0.00 H new ATOM 0 HG2 PRO A 73 20.100 -3.718 6.378 1.00 0.00 H new ATOM 0 HG3 PRO A 73 20.393 -2.165 7.136 1.00 0.00 H new ATOM 0 HD2 PRO A 73 17.867 -3.092 6.716 1.00 0.00 H new ATOM 0 HD3 PRO A 73 18.231 -1.379 6.674 1.00 0.00 H new ATOM 1067 N SER A 74 19.326 -4.752 3.904 1.00 0.00 N ATOM 1068 CA SER A 74 19.471 -6.076 3.311 1.00 0.00 C ATOM 1069 C SER A 74 18.231 -6.447 2.502 1.00 0.00 C ATOM 1070 O SER A 74 17.721 -7.562 2.604 1.00 0.00 O ATOM 1071 CB SER A 74 19.714 -7.122 4.401 1.00 0.00 C ATOM 1072 OG SER A 74 18.717 -7.053 5.406 1.00 0.00 O ATOM 0 H SER A 74 18.999 -4.756 4.870 1.00 0.00 H new ATOM 0 HA SER A 74 20.329 -6.055 2.640 1.00 0.00 H new ATOM 0 HB2 SER A 74 19.720 -8.118 3.958 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.696 -6.965 4.847 1.00 0.00 H new ATOM 0 HG SER A 74 18.894 -7.733 6.090 1.00 0.00 H new ATOM 1078 N SER A 75 17.753 -5.503 1.697 1.00 0.00 N ATOM 1079 CA SER A 75 16.572 -5.728 0.873 1.00 0.00 C ATOM 1080 C SER A 75 16.821 -5.284 -0.566 1.00 0.00 C ATOM 1081 O SER A 75 16.527 -6.013 -1.512 1.00 0.00 O ATOM 1082 CB SER A 75 15.371 -4.976 1.450 1.00 0.00 C ATOM 1083 OG SER A 75 14.769 -5.709 2.503 1.00 0.00 O ATOM 0 H SER A 75 18.166 -4.575 1.598 1.00 0.00 H new ATOM 0 HA SER A 75 16.357 -6.797 0.873 1.00 0.00 H new ATOM 0 HB2 SER A 75 15.691 -4.001 1.818 1.00 0.00 H new ATOM 0 HB3 SER A 75 14.639 -4.795 0.663 1.00 0.00 H new ATOM 0 HG SER A 75 14.005 -5.207 2.856 1.00 0.00 H new ATOM 1089 N GLY A 76 17.365 -4.080 -0.721 1.00 0.00 N ATOM 1090 CA GLY A 76 17.644 -3.558 -2.046 1.00 0.00 C ATOM 1091 C GLY A 76 16.424 -2.934 -2.693 1.00 0.00 C ATOM 1092 O GLY A 76 15.387 -2.829 -2.039 1.00 0.00 O ATOM 0 H GLY A 76 17.617 -3.458 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 76 18.437 -2.813 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 76 18.015 -4.364 -2.680 1.00 0.00 H new TER 1096 GLY A 76 HETATM 1097 ZN ZN A 201 -0.712 6.919 1.154 1.00 0.00 ZN