USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 673 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 77 CYS SG : rot 180:sc= -0.311 USER MOD Set 2.1: A 30 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 10 ASN :FLIP amide:sc= -0.0377 F(o=-1.6,f=-0.77) USER MOD Set 3.2: A 72 TYR OH : rot 180:sc= -0.734 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 24:sc= 0.256 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0.211 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.0328 (180deg=-0.769) USER MOD Single : A 28 LYS NZ :NH3+ -113:sc= 0.308 (180deg=-0.0123) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -4.09! C(o=-4.1!,f=-10!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.989 K(o=0.99,f=-0.33) USER MOD Single : A 45 ASN : amide:sc= -0.174 K(o=-0.17,f=-0.69) USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0642) USER MOD Single : A 51 LYS NZ :NH3+ -159:sc= -0.214 (180deg=-0.966) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 159:sc= -0.032 (180deg=-0.25) USER MOD Single : A 60 TYR OH : rot 180:sc= -0.927 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 88:sc= 0.0608 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.045 10.387 -11.277 1.00 0.00 N ATOM 2 CA GLY A 1 12.970 10.553 -12.237 1.00 0.00 C ATOM 3 C GLY A 1 11.611 10.232 -11.648 1.00 0.00 C ATOM 4 O GLY A 1 11.151 9.092 -11.715 1.00 0.00 O ATOM 0 H1 GLY A 1 14.953 10.619 -11.729 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.889 11.022 -10.468 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.065 9.402 -10.945 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.970 11.579 -12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 13.152 9.907 -13.096 1.00 0.00 H new ATOM 8 N SER A 2 10.968 11.239 -11.066 1.00 0.00 N ATOM 9 CA SER A 2 9.655 11.058 -10.457 1.00 0.00 C ATOM 10 C SER A 2 8.546 11.444 -11.431 1.00 0.00 C ATOM 11 O SER A 2 8.536 12.550 -11.971 1.00 0.00 O ATOM 12 CB SER A 2 9.542 11.894 -9.181 1.00 0.00 C ATOM 13 OG SER A 2 9.620 13.279 -9.469 1.00 0.00 O ATOM 0 H SER A 2 11.335 12.189 -11.003 1.00 0.00 H new ATOM 0 HA SER A 2 9.542 10.004 -10.204 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.598 11.676 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.339 11.618 -8.490 1.00 0.00 H new ATOM 0 HG SER A 2 9.348 13.436 -10.397 1.00 0.00 H new ATOM 19 N SER A 3 7.613 10.523 -11.650 1.00 0.00 N ATOM 20 CA SER A 3 6.500 10.764 -12.562 1.00 0.00 C ATOM 21 C SER A 3 5.231 11.110 -11.790 1.00 0.00 C ATOM 22 O SER A 3 5.095 10.777 -10.614 1.00 0.00 O ATOM 23 CB SER A 3 6.258 9.535 -13.440 1.00 0.00 C ATOM 24 OG SER A 3 5.416 9.850 -14.536 1.00 0.00 O ATOM 0 H SER A 3 7.605 9.603 -11.209 1.00 0.00 H new ATOM 0 HA SER A 3 6.759 11.610 -13.198 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.211 9.153 -13.807 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.805 8.742 -12.845 1.00 0.00 H new ATOM 0 HG SER A 3 5.278 9.049 -15.083 1.00 0.00 H new ATOM 30 N GLY A 4 4.302 11.783 -12.463 1.00 0.00 N ATOM 31 CA GLY A 4 3.055 12.164 -11.825 1.00 0.00 C ATOM 32 C GLY A 4 3.273 12.990 -10.573 1.00 0.00 C ATOM 33 O GLY A 4 4.403 13.358 -10.253 1.00 0.00 O ATOM 0 H GLY A 4 4.391 12.071 -13.438 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.448 12.732 -12.530 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.491 11.266 -11.571 1.00 0.00 H new ATOM 37 N SER A 5 2.187 13.283 -9.863 1.00 0.00 N ATOM 38 CA SER A 5 2.264 14.076 -8.642 1.00 0.00 C ATOM 39 C SER A 5 2.846 13.253 -7.496 1.00 0.00 C ATOM 40 O SER A 5 2.662 12.038 -7.434 1.00 0.00 O ATOM 41 CB SER A 5 0.878 14.596 -8.258 1.00 0.00 C ATOM 42 OG SER A 5 0.880 15.137 -6.948 1.00 0.00 O ATOM 0 H SER A 5 1.245 12.983 -10.113 1.00 0.00 H new ATOM 0 HA SER A 5 2.923 14.924 -8.830 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.563 15.359 -8.969 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.152 13.785 -8.319 1.00 0.00 H new ATOM 0 HG SER A 5 -0.017 15.464 -6.728 1.00 0.00 H new ATOM 48 N SER A 6 3.551 13.926 -6.592 1.00 0.00 N ATOM 49 CA SER A 6 4.164 13.258 -5.450 1.00 0.00 C ATOM 50 C SER A 6 3.495 13.685 -4.147 1.00 0.00 C ATOM 51 O SER A 6 3.507 14.860 -3.786 1.00 0.00 O ATOM 52 CB SER A 6 5.661 13.570 -5.393 1.00 0.00 C ATOM 53 OG SER A 6 6.395 12.702 -6.239 1.00 0.00 O ATOM 0 H SER A 6 3.712 14.933 -6.628 1.00 0.00 H new ATOM 0 HA SER A 6 4.028 12.184 -5.573 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.832 14.604 -5.692 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.018 13.471 -4.368 1.00 0.00 H new ATOM 0 HG SER A 6 7.348 12.923 -6.186 1.00 0.00 H new ATOM 59 N GLY A 7 2.910 12.718 -3.445 1.00 0.00 N ATOM 60 CA GLY A 7 2.243 13.012 -2.190 1.00 0.00 C ATOM 61 C GLY A 7 1.544 11.800 -1.607 1.00 0.00 C ATOM 62 O GLY A 7 1.667 11.518 -0.416 1.00 0.00 O ATOM 0 H GLY A 7 2.886 11.737 -3.723 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.974 13.386 -1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.514 13.807 -2.347 1.00 0.00 H new ATOM 66 N MET A 8 0.807 11.082 -2.449 1.00 0.00 N ATOM 67 CA MET A 8 0.086 9.894 -2.009 1.00 0.00 C ATOM 68 C MET A 8 0.713 8.631 -2.590 1.00 0.00 C ATOM 69 O MET A 8 1.657 8.701 -3.377 1.00 0.00 O ATOM 70 CB MET A 8 -1.385 9.983 -2.422 1.00 0.00 C ATOM 71 CG MET A 8 -1.588 10.115 -3.923 1.00 0.00 C ATOM 72 SD MET A 8 -3.201 9.515 -4.461 1.00 0.00 S ATOM 73 CE MET A 8 -3.760 10.894 -5.458 1.00 0.00 C ATOM 0 H MET A 8 0.694 11.302 -3.438 1.00 0.00 H new ATOM 0 HA MET A 8 0.149 9.843 -0.922 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.907 9.093 -2.070 1.00 0.00 H new ATOM 0 HB3 MET A 8 -1.842 10.839 -1.925 1.00 0.00 H new ATOM 0 HG2 MET A 8 -1.480 11.161 -4.210 1.00 0.00 H new ATOM 0 HG3 MET A 8 -0.807 9.560 -4.442 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.748 10.674 -5.863 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.812 11.791 -4.841 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.060 11.058 -6.278 1.00 0.00 H new ATOM 83 N ALA A 9 0.183 7.477 -2.196 1.00 0.00 N ATOM 84 CA ALA A 9 0.691 6.199 -2.679 1.00 0.00 C ATOM 85 C ALA A 9 -0.402 5.136 -2.671 1.00 0.00 C ATOM 86 O ALA A 9 -0.789 4.638 -1.615 1.00 0.00 O ATOM 87 CB ALA A 9 1.874 5.748 -1.835 1.00 0.00 C ATOM 0 H ALA A 9 -0.598 7.401 -1.544 1.00 0.00 H new ATOM 0 HA ALA A 9 1.023 6.334 -3.708 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.243 4.792 -2.207 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.668 6.492 -1.895 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.559 5.636 -0.797 1.00 0.00 H new ATOM 93 N ASN A 10 -0.896 4.793 -3.857 1.00 0.00 N ATOM 94 CA ASN A 10 -1.946 3.789 -3.986 1.00 0.00 C ATOM 95 C ASN A 10 -1.495 2.452 -3.405 1.00 0.00 C ATOM 96 O ASN A 10 -0.561 1.828 -3.908 1.00 0.00 O ATOM 97 CB ASN A 10 -2.335 3.614 -5.455 1.00 0.00 C ATOM 98 CG ASN A 10 -2.727 4.925 -6.109 1.00 0.00 C ATOM 99 OD1 ASN A 10 -2.082 5.246 -7.225 1.00 0.00 O flip ATOM 100 ND2 ASN A 10 -3.600 5.640 -5.618 1.00 0.00 N flip ATOM 0 H ASN A 10 -0.586 5.195 -4.742 1.00 0.00 H new ATOM 0 HA ASN A 10 -2.815 4.134 -3.425 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -1.499 3.175 -6.000 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.166 2.912 -5.527 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.070 5.354 -4.759 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.854 6.518 -6.070 1.00 0.00 H new ATOM 107 N TYR A 11 -2.166 2.019 -2.344 1.00 0.00 N ATOM 108 CA TYR A 11 -1.833 0.757 -1.693 1.00 0.00 C ATOM 109 C TYR A 11 -1.642 -0.353 -2.722 1.00 0.00 C ATOM 110 O TYR A 11 -0.575 -0.962 -2.804 1.00 0.00 O ATOM 111 CB TYR A 11 -2.931 0.366 -0.702 1.00 0.00 C ATOM 112 CG TYR A 11 -3.173 1.401 0.374 1.00 0.00 C ATOM 113 CD1 TYR A 11 -2.112 2.053 0.990 1.00 0.00 C ATOM 114 CD2 TYR A 11 -4.463 1.728 0.773 1.00 0.00 C ATOM 115 CE1 TYR A 11 -2.329 2.998 1.973 1.00 0.00 C ATOM 116 CE2 TYR A 11 -4.689 2.673 1.754 1.00 0.00 C ATOM 117 CZ TYR A 11 -3.619 3.305 2.352 1.00 0.00 C ATOM 118 OH TYR A 11 -3.839 4.248 3.330 1.00 0.00 O ATOM 0 H TYR A 11 -2.943 2.522 -1.916 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.896 0.892 -1.153 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.859 0.199 -1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.663 -0.580 -0.231 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.100 1.817 0.695 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -5.304 1.235 0.308 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.493 3.494 2.443 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -5.698 2.916 2.051 1.00 0.00 H new ATOM 0 HH TYR A 11 -4.803 4.347 3.478 1.00 0.00 H new ATOM 128 N TYR A 12 -2.684 -0.611 -3.505 1.00 0.00 N ATOM 129 CA TYR A 12 -2.634 -1.648 -4.528 1.00 0.00 C ATOM 130 C TYR A 12 -1.355 -1.538 -5.352 1.00 0.00 C ATOM 131 O TYR A 12 -0.700 -2.540 -5.639 1.00 0.00 O ATOM 132 CB TYR A 12 -3.855 -1.550 -5.444 1.00 0.00 C ATOM 133 CG TYR A 12 -5.132 -2.048 -4.805 1.00 0.00 C ATOM 134 CD1 TYR A 12 -5.349 -3.406 -4.606 1.00 0.00 C ATOM 135 CD2 TYR A 12 -6.122 -1.160 -4.403 1.00 0.00 C ATOM 136 CE1 TYR A 12 -6.514 -3.865 -4.024 1.00 0.00 C ATOM 137 CE2 TYR A 12 -7.290 -1.610 -3.818 1.00 0.00 C ATOM 138 CZ TYR A 12 -7.482 -2.963 -3.631 1.00 0.00 C ATOM 139 OH TYR A 12 -8.644 -3.416 -3.051 1.00 0.00 O ATOM 0 H TYR A 12 -3.574 -0.116 -3.450 1.00 0.00 H new ATOM 0 HA TYR A 12 -2.641 -2.617 -4.028 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.990 -0.511 -5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -3.665 -2.123 -6.352 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.594 -4.115 -4.912 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -5.976 -0.100 -4.550 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.667 -4.924 -3.877 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -8.049 -0.906 -3.509 1.00 0.00 H new ATOM 0 HH TYR A 12 -9.219 -2.653 -2.832 1.00 0.00 H new ATOM 149 N GLU A 13 -1.006 -0.312 -5.730 1.00 0.00 N ATOM 150 CA GLU A 13 0.194 -0.070 -6.522 1.00 0.00 C ATOM 151 C GLU A 13 1.444 -0.505 -5.762 1.00 0.00 C ATOM 152 O GLU A 13 2.262 -1.269 -6.275 1.00 0.00 O ATOM 153 CB GLU A 13 0.298 1.411 -6.892 1.00 0.00 C ATOM 154 CG GLU A 13 -0.672 1.836 -7.982 1.00 0.00 C ATOM 155 CD GLU A 13 -0.262 1.338 -9.354 1.00 0.00 C ATOM 156 OE1 GLU A 13 0.499 0.350 -9.423 1.00 0.00 O ATOM 157 OE2 GLU A 13 -0.701 1.936 -10.358 1.00 0.00 O ATOM 0 H GLU A 13 -1.537 0.528 -5.501 1.00 0.00 H new ATOM 0 HA GLU A 13 0.121 -0.661 -7.435 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.117 2.013 -6.001 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.316 1.624 -7.219 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.667 1.459 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.739 2.924 -8.000 1.00 0.00 H new ATOM 164 N VAL A 14 1.586 -0.011 -4.536 1.00 0.00 N ATOM 165 CA VAL A 14 2.736 -0.347 -3.705 1.00 0.00 C ATOM 166 C VAL A 14 3.008 -1.847 -3.725 1.00 0.00 C ATOM 167 O VAL A 14 4.158 -2.279 -3.824 1.00 0.00 O ATOM 168 CB VAL A 14 2.525 0.105 -2.247 1.00 0.00 C ATOM 169 CG1 VAL A 14 3.712 -0.300 -1.386 1.00 0.00 C ATOM 170 CG2 VAL A 14 2.298 1.608 -2.184 1.00 0.00 C ATOM 0 H VAL A 14 0.919 0.623 -4.096 1.00 0.00 H new ATOM 0 HA VAL A 14 3.594 0.181 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 14 1.637 -0.391 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.546 0.027 -0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.824 -1.384 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.618 0.166 -1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.151 1.911 -1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.166 2.125 -2.593 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.414 1.867 -2.767 1.00 0.00 H new ATOM 180 N LEU A 15 1.945 -2.638 -3.632 1.00 0.00 N ATOM 181 CA LEU A 15 2.069 -4.091 -3.641 1.00 0.00 C ATOM 182 C LEU A 15 2.199 -4.618 -5.066 1.00 0.00 C ATOM 183 O LEU A 15 2.896 -5.601 -5.314 1.00 0.00 O ATOM 184 CB LEU A 15 0.858 -4.730 -2.958 1.00 0.00 C ATOM 185 CG LEU A 15 0.752 -4.521 -1.447 1.00 0.00 C ATOM 186 CD1 LEU A 15 -0.678 -4.737 -0.977 1.00 0.00 C ATOM 187 CD2 LEU A 15 1.704 -5.454 -0.711 1.00 0.00 C ATOM 0 H LEU A 15 0.987 -2.297 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 15 2.972 -4.357 -3.091 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.046 -4.337 -3.423 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.878 -5.802 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 15 1.035 -3.493 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.734 -4.584 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.337 -4.028 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.990 -5.754 -1.216 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.615 -5.291 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.452 -6.489 -0.943 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.728 -5.251 -1.025 1.00 0.00 H new ATOM 199 N GLY A 16 1.525 -3.955 -6.001 1.00 0.00 N ATOM 200 CA GLY A 16 1.580 -4.370 -7.390 1.00 0.00 C ATOM 201 C GLY A 16 0.503 -5.379 -7.738 1.00 0.00 C ATOM 202 O GLY A 16 0.744 -6.321 -8.493 1.00 0.00 O ATOM 0 H GLY A 16 0.942 -3.138 -5.821 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.475 -3.495 -8.032 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.559 -4.802 -7.598 1.00 0.00 H new ATOM 206 N VAL A 17 -0.690 -5.182 -7.185 1.00 0.00 N ATOM 207 CA VAL A 17 -1.808 -6.082 -7.440 1.00 0.00 C ATOM 208 C VAL A 17 -3.085 -5.303 -7.732 1.00 0.00 C ATOM 209 O VAL A 17 -3.120 -4.079 -7.602 1.00 0.00 O ATOM 210 CB VAL A 17 -2.055 -7.023 -6.246 1.00 0.00 C ATOM 211 CG1 VAL A 17 -0.844 -7.911 -6.006 1.00 0.00 C ATOM 212 CG2 VAL A 17 -2.394 -6.222 -4.998 1.00 0.00 C ATOM 0 H VAL A 17 -0.907 -4.407 -6.558 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.542 -6.678 -8.313 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.905 -7.664 -6.481 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.037 -8.569 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.651 -8.512 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.026 -7.290 -5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.565 -6.903 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.566 -5.555 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.294 -5.633 -5.177 1.00 0.00 H new ATOM 222 N GLN A 18 -4.133 -6.020 -8.125 1.00 0.00 N ATOM 223 CA GLN A 18 -5.413 -5.394 -8.435 1.00 0.00 C ATOM 224 C GLN A 18 -6.466 -5.765 -7.396 1.00 0.00 C ATOM 225 O GLN A 18 -6.383 -6.817 -6.763 1.00 0.00 O ATOM 226 CB GLN A 18 -5.885 -5.813 -9.829 1.00 0.00 C ATOM 227 CG GLN A 18 -4.912 -5.444 -10.937 1.00 0.00 C ATOM 228 CD GLN A 18 -5.144 -4.047 -11.477 1.00 0.00 C ATOM 229 OE1 GLN A 18 -4.458 -3.099 -11.093 1.00 0.00 O ATOM 230 NE2 GLN A 18 -6.114 -3.912 -12.373 1.00 0.00 N ATOM 0 H GLN A 18 -4.121 -7.034 -8.236 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.275 -4.313 -8.415 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.044 -6.891 -9.841 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.849 -5.346 -10.033 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -3.892 -5.519 -10.559 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.004 -6.164 -11.750 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -6.658 -4.725 -12.663 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.316 -2.995 -12.772 1.00 0.00 H new ATOM 239 N ALA A 19 -7.456 -4.894 -7.227 1.00 0.00 N ATOM 240 CA ALA A 19 -8.526 -5.131 -6.266 1.00 0.00 C ATOM 241 C ALA A 19 -9.148 -6.509 -6.466 1.00 0.00 C ATOM 242 O ALA A 19 -9.364 -7.248 -5.506 1.00 0.00 O ATOM 243 CB ALA A 19 -9.588 -4.048 -6.381 1.00 0.00 C ATOM 0 H ALA A 19 -7.539 -4.018 -7.743 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.096 -5.097 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -10.381 -4.238 -5.658 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.139 -3.075 -6.181 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.006 -4.054 -7.388 1.00 0.00 H new ATOM 249 N SER A 20 -9.434 -6.847 -7.719 1.00 0.00 N ATOM 250 CA SER A 20 -10.036 -8.135 -8.044 1.00 0.00 C ATOM 251 C SER A 20 -9.140 -9.284 -7.590 1.00 0.00 C ATOM 252 O SER A 20 -9.565 -10.438 -7.550 1.00 0.00 O ATOM 253 CB SER A 20 -10.291 -8.237 -9.549 1.00 0.00 C ATOM 254 OG SER A 20 -10.990 -7.100 -10.026 1.00 0.00 O ATOM 0 H SER A 20 -9.259 -6.247 -8.525 1.00 0.00 H new ATOM 0 HA SER A 20 -10.986 -8.208 -7.515 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.342 -8.332 -10.076 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.866 -9.138 -9.763 1.00 0.00 H new ATOM 0 HG SER A 20 -11.139 -7.189 -10.991 1.00 0.00 H new ATOM 260 N ALA A 21 -7.898 -8.958 -7.248 1.00 0.00 N ATOM 261 CA ALA A 21 -6.942 -9.960 -6.795 1.00 0.00 C ATOM 262 C ALA A 21 -7.451 -10.680 -5.550 1.00 0.00 C ATOM 263 O ALA A 21 -8.267 -10.144 -4.801 1.00 0.00 O ATOM 264 CB ALA A 21 -5.592 -9.316 -6.519 1.00 0.00 C ATOM 0 H ALA A 21 -7.530 -8.007 -7.276 1.00 0.00 H new ATOM 0 HA ALA A 21 -6.824 -10.698 -7.588 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.888 -10.077 -6.181 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.216 -8.853 -7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.703 -8.556 -5.746 1.00 0.00 H new ATOM 270 N SER A 22 -6.963 -11.898 -5.336 1.00 0.00 N ATOM 271 CA SER A 22 -7.372 -12.693 -4.184 1.00 0.00 C ATOM 272 C SER A 22 -6.706 -12.184 -2.909 1.00 0.00 C ATOM 273 O SER A 22 -5.653 -11.548 -2.939 1.00 0.00 O ATOM 274 CB SER A 22 -7.020 -14.166 -4.404 1.00 0.00 C ATOM 275 OG SER A 22 -7.898 -14.765 -5.341 1.00 0.00 O ATOM 0 H SER A 22 -6.284 -12.355 -5.945 1.00 0.00 H new ATOM 0 HA SER A 22 -8.452 -12.597 -4.072 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.993 -14.249 -4.759 1.00 0.00 H new ATOM 0 HB3 SER A 22 -7.074 -14.702 -3.456 1.00 0.00 H new ATOM 0 HG SER A 22 -7.651 -15.705 -5.466 1.00 0.00 H new ATOM 281 N PRO A 23 -7.335 -12.471 -1.759 1.00 0.00 N ATOM 282 CA PRO A 23 -6.823 -12.053 -0.451 1.00 0.00 C ATOM 283 C PRO A 23 -5.555 -12.803 -0.058 1.00 0.00 C ATOM 284 O PRO A 23 -4.886 -12.444 0.910 1.00 0.00 O ATOM 285 CB PRO A 23 -7.967 -12.399 0.505 1.00 0.00 C ATOM 286 CG PRO A 23 -8.709 -13.498 -0.174 1.00 0.00 C ATOM 287 CD PRO A 23 -8.595 -13.225 -1.648 1.00 0.00 C ATOM 0 HA PRO A 23 -6.544 -10.999 -0.440 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.589 -12.718 1.476 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.610 -11.537 0.681 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.283 -14.470 0.077 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -9.753 -13.516 0.140 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.563 -14.148 -2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.443 -12.647 -2.016 1.00 0.00 H new ATOM 295 N GLU A 24 -5.231 -13.847 -0.816 1.00 0.00 N ATOM 296 CA GLU A 24 -4.043 -14.647 -0.546 1.00 0.00 C ATOM 297 C GLU A 24 -2.860 -14.165 -1.380 1.00 0.00 C ATOM 298 O GLU A 24 -1.711 -14.225 -0.941 1.00 0.00 O ATOM 299 CB GLU A 24 -4.319 -16.124 -0.837 1.00 0.00 C ATOM 300 CG GLU A 24 -4.962 -16.864 0.323 1.00 0.00 C ATOM 301 CD GLU A 24 -6.326 -16.309 0.685 1.00 0.00 C ATOM 302 OE1 GLU A 24 -7.328 -16.763 0.092 1.00 0.00 O ATOM 303 OE2 GLU A 24 -6.392 -15.421 1.560 1.00 0.00 O ATOM 0 H GLU A 24 -5.775 -14.158 -1.621 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.791 -14.532 0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.969 -16.198 -1.709 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.381 -16.616 -1.095 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.060 -17.919 0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.308 -16.806 1.193 1.00 0.00 H new ATOM 310 N ASP A 25 -3.150 -13.686 -2.585 1.00 0.00 N ATOM 311 CA ASP A 25 -2.111 -13.193 -3.482 1.00 0.00 C ATOM 312 C ASP A 25 -1.510 -11.894 -2.954 1.00 0.00 C ATOM 313 O ASP A 25 -0.329 -11.615 -3.164 1.00 0.00 O ATOM 314 CB ASP A 25 -2.681 -12.973 -4.884 1.00 0.00 C ATOM 315 CG ASP A 25 -2.619 -14.224 -5.737 1.00 0.00 C ATOM 316 OD1 ASP A 25 -3.464 -15.122 -5.536 1.00 0.00 O ATOM 317 OD2 ASP A 25 -1.726 -14.306 -6.606 1.00 0.00 O ATOM 0 H ASP A 25 -4.096 -13.629 -2.963 1.00 0.00 H new ATOM 0 HA ASP A 25 -1.322 -13.943 -3.533 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.717 -12.642 -4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.128 -12.173 -5.376 1.00 0.00 H new ATOM 322 N ILE A 26 -2.329 -11.104 -2.269 1.00 0.00 N ATOM 323 CA ILE A 26 -1.878 -9.835 -1.712 1.00 0.00 C ATOM 324 C ILE A 26 -0.924 -10.057 -0.542 1.00 0.00 C ATOM 325 O ILE A 26 0.048 -9.321 -0.371 1.00 0.00 O ATOM 326 CB ILE A 26 -3.064 -8.975 -1.237 1.00 0.00 C ATOM 327 CG1 ILE A 26 -4.006 -8.677 -2.405 1.00 0.00 C ATOM 328 CG2 ILE A 26 -2.563 -7.682 -0.610 1.00 0.00 C ATOM 329 CD1 ILE A 26 -5.451 -8.511 -1.988 1.00 0.00 C ATOM 0 H ILE A 26 -3.309 -11.320 -2.086 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.355 -9.308 -2.510 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.618 -9.532 -0.481 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -3.674 -7.768 -2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -3.937 -9.486 -3.133 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.413 -7.085 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.928 -7.914 0.245 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.989 -7.119 -1.346 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.061 -8.302 -2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.800 -9.428 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.534 -7.683 -1.283 1.00 0.00 H new ATOM 341 N LYS A 27 -1.208 -11.077 0.260 1.00 0.00 N ATOM 342 CA LYS A 27 -0.375 -11.399 1.412 1.00 0.00 C ATOM 343 C LYS A 27 0.984 -11.932 0.969 1.00 0.00 C ATOM 344 O LYS A 27 2.026 -11.427 1.385 1.00 0.00 O ATOM 345 CB LYS A 27 -1.074 -12.431 2.301 1.00 0.00 C ATOM 346 CG LYS A 27 -0.180 -13.005 3.386 1.00 0.00 C ATOM 347 CD LYS A 27 -0.578 -14.428 3.741 1.00 0.00 C ATOM 348 CE LYS A 27 -1.652 -14.453 4.818 1.00 0.00 C ATOM 349 NZ LYS A 27 -2.984 -14.058 4.283 1.00 0.00 N ATOM 0 H LYS A 27 -2.009 -11.695 0.133 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.218 -10.483 1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.944 -11.967 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.442 -13.245 1.677 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.857 -12.989 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.237 -12.378 4.275 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.943 -14.938 2.850 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.298 -14.977 4.086 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.715 -15.454 5.245 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.371 -13.778 5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.732 -14.472 4.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.069 -13.022 4.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.083 -14.404 3.307 1.00 0.00 H new ATOM 363 N LYS A 28 0.965 -12.956 0.122 1.00 0.00 N ATOM 364 CA LYS A 28 2.195 -13.556 -0.380 1.00 0.00 C ATOM 365 C LYS A 28 3.064 -12.514 -1.077 1.00 0.00 C ATOM 366 O LYS A 28 4.287 -12.518 -0.937 1.00 0.00 O ATOM 367 CB LYS A 28 1.872 -14.696 -1.349 1.00 0.00 C ATOM 368 CG LYS A 28 1.285 -14.226 -2.668 1.00 0.00 C ATOM 369 CD LYS A 28 0.777 -15.391 -3.500 1.00 0.00 C ATOM 370 CE LYS A 28 0.675 -15.023 -4.972 1.00 0.00 C ATOM 371 NZ LYS A 28 0.345 -16.203 -5.818 1.00 0.00 N ATOM 0 H LYS A 28 0.111 -13.387 -0.231 1.00 0.00 H new ATOM 0 HA LYS A 28 2.748 -13.955 0.470 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.782 -15.262 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 28 1.170 -15.379 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.467 -13.531 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.042 -13.680 -3.230 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.447 -16.243 -3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.201 -15.702 -3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.090 -14.257 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.619 -14.591 -5.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.154 -16.428 -6.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.135 -17.019 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.485 -15.987 -6.406 1.00 0.00 H new ATOM 385 N ALA A 29 2.424 -11.622 -1.827 1.00 0.00 N ATOM 386 CA ALA A 29 3.139 -10.573 -2.542 1.00 0.00 C ATOM 387 C ALA A 29 3.994 -9.743 -1.590 1.00 0.00 C ATOM 388 O ALA A 29 5.182 -9.532 -1.831 1.00 0.00 O ATOM 389 CB ALA A 29 2.158 -9.680 -3.288 1.00 0.00 C ATOM 0 H ALA A 29 1.412 -11.606 -1.955 1.00 0.00 H new ATOM 0 HA ALA A 29 3.803 -11.048 -3.264 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.706 -8.901 -3.818 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.594 -10.278 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.471 -9.221 -2.577 1.00 0.00 H new ATOM 395 N TYR A 30 3.381 -9.275 -0.508 1.00 0.00 N ATOM 396 CA TYR A 30 4.085 -8.465 0.479 1.00 0.00 C ATOM 397 C TYR A 30 5.343 -9.176 0.969 1.00 0.00 C ATOM 398 O TYR A 30 6.457 -8.684 0.791 1.00 0.00 O ATOM 399 CB TYR A 30 3.167 -8.154 1.663 1.00 0.00 C ATOM 400 CG TYR A 30 3.911 -7.894 2.953 1.00 0.00 C ATOM 401 CD1 TYR A 30 4.322 -6.612 3.295 1.00 0.00 C ATOM 402 CD2 TYR A 30 4.202 -8.931 3.831 1.00 0.00 C ATOM 403 CE1 TYR A 30 5.002 -6.370 4.473 1.00 0.00 C ATOM 404 CE2 TYR A 30 4.880 -8.698 5.012 1.00 0.00 C ATOM 405 CZ TYR A 30 5.279 -7.416 5.328 1.00 0.00 C ATOM 406 OH TYR A 30 5.955 -7.178 6.503 1.00 0.00 O ATOM 0 H TYR A 30 2.398 -9.443 -0.292 1.00 0.00 H new ATOM 0 HA TYR A 30 4.380 -7.531 0.002 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.559 -7.282 1.422 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.482 -8.989 1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.106 -5.790 2.628 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.893 -9.936 3.586 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.315 -5.367 4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.096 -9.515 5.684 1.00 0.00 H new ATOM 0 HH TYR A 30 6.069 -8.020 6.991 1.00 0.00 H new ATOM 416 N ARG A 31 5.155 -10.338 1.587 1.00 0.00 N ATOM 417 CA ARG A 31 6.274 -11.117 2.104 1.00 0.00 C ATOM 418 C ARG A 31 7.479 -11.022 1.174 1.00 0.00 C ATOM 419 O ARG A 31 8.574 -10.647 1.594 1.00 0.00 O ATOM 420 CB ARG A 31 5.865 -12.581 2.278 1.00 0.00 C ATOM 421 CG ARG A 31 4.743 -12.785 3.283 1.00 0.00 C ATOM 422 CD ARG A 31 4.841 -14.144 3.959 1.00 0.00 C ATOM 423 NE ARG A 31 5.664 -14.098 5.165 1.00 0.00 N ATOM 424 CZ ARG A 31 6.280 -15.159 5.675 1.00 0.00 C ATOM 425 NH1 ARG A 31 6.166 -16.342 5.088 1.00 0.00 N ATOM 426 NH2 ARG A 31 7.011 -15.037 6.775 1.00 0.00 N ATOM 0 H ARG A 31 4.239 -10.760 1.742 1.00 0.00 H new ATOM 0 HA ARG A 31 6.553 -10.706 3.074 1.00 0.00 H new ATOM 0 HB2 ARG A 31 5.553 -12.979 1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.734 -13.157 2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.781 -11.999 4.037 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.781 -12.697 2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 31 3.841 -14.494 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.262 -14.867 3.260 1.00 0.00 H new ATOM 0 HE ARG A 31 5.772 -13.203 5.642 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.604 -16.440 4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 31 6.640 -17.155 5.482 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.100 -14.128 7.230 1.00 0.00 H new ATOM 0 HH22 ARG A 31 7.484 -15.852 7.166 1.00 0.00 H new ATOM 440 N LYS A 32 7.271 -11.364 -0.093 1.00 0.00 N ATOM 441 CA LYS A 32 8.339 -11.316 -1.085 1.00 0.00 C ATOM 442 C LYS A 32 8.819 -9.885 -1.299 1.00 0.00 C ATOM 443 O LYS A 32 10.022 -9.621 -1.335 1.00 0.00 O ATOM 444 CB LYS A 32 7.857 -11.908 -2.412 1.00 0.00 C ATOM 445 CG LYS A 32 7.897 -13.426 -2.451 1.00 0.00 C ATOM 446 CD LYS A 32 6.821 -14.035 -1.567 1.00 0.00 C ATOM 447 CE LYS A 32 6.884 -15.555 -1.581 1.00 0.00 C ATOM 448 NZ LYS A 32 6.250 -16.146 -0.370 1.00 0.00 N ATOM 0 H LYS A 32 6.372 -11.678 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 32 9.175 -11.908 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.836 -11.575 -2.599 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.474 -11.516 -3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.763 -13.768 -3.477 1.00 0.00 H new ATOM 0 HG3 LYS A 32 8.877 -13.774 -2.125 1.00 0.00 H new ATOM 0 HD2 LYS A 32 6.940 -13.674 -0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 32 5.839 -13.707 -1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 32 6.384 -15.931 -2.473 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.924 -15.875 -1.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.313 -17.183 -0.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.743 -15.807 0.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.251 -15.861 -0.327 1.00 0.00 H new ATOM 462 N LEU A 33 7.873 -8.963 -1.440 1.00 0.00 N ATOM 463 CA LEU A 33 8.199 -7.557 -1.649 1.00 0.00 C ATOM 464 C LEU A 33 9.138 -7.048 -0.559 1.00 0.00 C ATOM 465 O LEU A 33 10.256 -6.617 -0.841 1.00 0.00 O ATOM 466 CB LEU A 33 6.923 -6.714 -1.673 1.00 0.00 C ATOM 467 CG LEU A 33 6.045 -6.861 -2.916 1.00 0.00 C ATOM 468 CD1 LEU A 33 4.675 -6.245 -2.678 1.00 0.00 C ATOM 469 CD2 LEU A 33 6.717 -6.223 -4.123 1.00 0.00 C ATOM 0 H LEU A 33 6.873 -9.164 -1.413 1.00 0.00 H new ATOM 0 HA LEU A 33 8.704 -7.466 -2.610 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.325 -6.970 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.202 -5.665 -1.572 1.00 0.00 H new ATOM 0 HG LEU A 33 5.912 -7.924 -3.120 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.064 -6.359 -3.574 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.190 -6.748 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.787 -5.185 -2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.077 -6.337 -4.998 1.00 0.00 H new ATOM 0 HD22 LEU A 33 6.881 -5.163 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.674 -6.711 -4.307 1.00 0.00 H new ATOM 481 N ALA A 34 8.676 -7.103 0.685 1.00 0.00 N ATOM 482 CA ALA A 34 9.475 -6.652 1.818 1.00 0.00 C ATOM 483 C ALA A 34 10.950 -6.981 1.614 1.00 0.00 C ATOM 484 O ALA A 34 11.825 -6.164 1.902 1.00 0.00 O ATOM 485 CB ALA A 34 8.965 -7.278 3.107 1.00 0.00 C ATOM 0 H ALA A 34 7.752 -7.456 0.934 1.00 0.00 H new ATOM 0 HA ALA A 34 9.378 -5.569 1.891 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.571 -6.932 3.944 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.927 -6.988 3.267 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.031 -8.364 3.035 1.00 0.00 H new ATOM 491 N LEU A 35 11.220 -8.184 1.118 1.00 0.00 N ATOM 492 CA LEU A 35 12.590 -8.623 0.877 1.00 0.00 C ATOM 493 C LEU A 35 13.196 -7.886 -0.313 1.00 0.00 C ATOM 494 O LEU A 35 14.364 -7.497 -0.285 1.00 0.00 O ATOM 495 CB LEU A 35 12.627 -10.132 0.630 1.00 0.00 C ATOM 496 CG LEU A 35 12.526 -11.018 1.871 1.00 0.00 C ATOM 497 CD1 LEU A 35 11.913 -12.364 1.518 1.00 0.00 C ATOM 498 CD2 LEU A 35 13.897 -11.205 2.506 1.00 0.00 C ATOM 0 H LEU A 35 10.508 -8.873 0.875 1.00 0.00 H new ATOM 0 HA LEU A 35 13.181 -8.392 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.809 -10.390 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.555 -10.372 0.111 1.00 0.00 H new ATOM 0 HG LEU A 35 11.876 -10.524 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.849 -12.981 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.914 -12.213 1.110 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.536 -12.864 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 35 13.806 -11.838 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.569 -11.676 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.299 -10.234 2.796 1.00 0.00 H new ATOM 510 N ARG A 36 12.394 -7.695 -1.355 1.00 0.00 N ATOM 511 CA ARG A 36 12.851 -7.004 -2.555 1.00 0.00 C ATOM 512 C ARG A 36 13.211 -5.554 -2.243 1.00 0.00 C ATOM 513 O ARG A 36 14.321 -5.104 -2.528 1.00 0.00 O ATOM 514 CB ARG A 36 11.773 -7.051 -3.639 1.00 0.00 C ATOM 515 CG ARG A 36 12.135 -6.272 -4.893 1.00 0.00 C ATOM 516 CD ARG A 36 11.490 -6.877 -6.130 1.00 0.00 C ATOM 517 NE ARG A 36 11.781 -6.102 -7.333 1.00 0.00 N ATOM 518 CZ ARG A 36 11.841 -6.629 -8.551 1.00 0.00 C ATOM 519 NH1 ARG A 36 11.632 -7.927 -8.725 1.00 0.00 N ATOM 520 NH2 ARG A 36 12.111 -5.859 -9.596 1.00 0.00 N ATOM 0 H ARG A 36 11.424 -8.009 -1.393 1.00 0.00 H new ATOM 0 HA ARG A 36 13.744 -7.512 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 36 11.586 -8.090 -3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 36 10.843 -6.655 -3.232 1.00 0.00 H new ATOM 0 HG2 ARG A 36 11.815 -5.236 -4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 36 13.218 -6.260 -5.015 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.846 -7.899 -6.262 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.411 -6.932 -5.986 1.00 0.00 H new ATOM 0 HE ARG A 36 11.947 -5.101 -7.233 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.425 -8.522 -7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.678 -8.330 -9.661 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.273 -4.860 -9.465 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.157 -6.265 -10.531 1.00 0.00 H new ATOM 534 N TRP A 37 12.266 -4.829 -1.656 1.00 0.00 N ATOM 535 CA TRP A 37 12.483 -3.430 -1.306 1.00 0.00 C ATOM 536 C TRP A 37 13.259 -3.310 0.001 1.00 0.00 C ATOM 537 O TRP A 37 13.321 -2.237 0.602 1.00 0.00 O ATOM 538 CB TRP A 37 11.145 -2.698 -1.187 1.00 0.00 C ATOM 539 CG TRP A 37 10.626 -2.193 -2.500 1.00 0.00 C ATOM 540 CD1 TRP A 37 9.584 -2.703 -3.220 1.00 0.00 C ATOM 541 CD2 TRP A 37 11.127 -1.081 -3.248 1.00 0.00 C ATOM 542 NE1 TRP A 37 9.407 -1.974 -4.371 1.00 0.00 N ATOM 543 CE2 TRP A 37 10.340 -0.973 -4.412 1.00 0.00 C ATOM 544 CE3 TRP A 37 12.163 -0.164 -3.048 1.00 0.00 C ATOM 545 CZ2 TRP A 37 10.559 0.014 -5.369 1.00 0.00 C ATOM 546 CZ3 TRP A 37 12.379 0.815 -4.000 1.00 0.00 C ATOM 547 CH2 TRP A 37 11.580 0.899 -5.148 1.00 0.00 C ATOM 0 H TRP A 37 11.342 -5.186 -1.412 1.00 0.00 H new ATOM 0 HA TRP A 37 13.071 -2.970 -2.100 1.00 0.00 H new ATOM 0 HB2 TRP A 37 10.409 -3.371 -0.748 1.00 0.00 H new ATOM 0 HB3 TRP A 37 11.258 -1.858 -0.502 1.00 0.00 H new ATOM 0 HD1 TRP A 37 8.987 -3.554 -2.928 1.00 0.00 H new ATOM 0 HE1 TRP A 37 8.695 -2.150 -5.080 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.783 -0.219 -2.166 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 9.945 0.079 -6.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 13.178 1.528 -3.856 1.00 0.00 H new ATOM 0 HH2 TRP A 37 11.773 1.677 -5.872 1.00 0.00 H new ATOM 558 N HIS A 38 13.851 -4.418 0.437 1.00 0.00 N ATOM 559 CA HIS A 38 14.624 -4.435 1.674 1.00 0.00 C ATOM 560 C HIS A 38 15.859 -3.547 1.555 1.00 0.00 C ATOM 561 O HIS A 38 16.547 -3.532 0.534 1.00 0.00 O ATOM 562 CB HIS A 38 15.041 -5.865 2.018 1.00 0.00 C ATOM 563 CG HIS A 38 15.280 -6.084 3.481 1.00 0.00 C ATOM 564 ND1 HIS A 38 16.433 -5.687 4.123 1.00 0.00 N ATOM 565 CD2 HIS A 38 14.503 -6.661 4.428 1.00 0.00 C ATOM 566 CE1 HIS A 38 16.357 -6.011 5.401 1.00 0.00 C ATOM 567 NE2 HIS A 38 15.195 -6.603 5.612 1.00 0.00 N ATOM 0 H HIS A 38 13.810 -5.315 -0.047 1.00 0.00 H new ATOM 0 HA HIS A 38 13.994 -4.045 2.474 1.00 0.00 H new ATOM 0 HB2 HIS A 38 14.266 -6.552 1.678 1.00 0.00 H new ATOM 0 HB3 HIS A 38 15.950 -6.112 1.469 1.00 0.00 H new ATOM 0 HD2 HIS A 38 13.522 -7.087 4.279 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.116 -5.824 6.147 1.00 0.00 H new ATOM 0 HE2 HIS A 38 14.866 -6.959 6.509 1.00 0.00 H new ATOM 575 N PRO A 39 16.147 -2.788 2.622 1.00 0.00 N ATOM 576 CA PRO A 39 17.300 -1.883 2.662 1.00 0.00 C ATOM 577 C PRO A 39 18.625 -2.634 2.716 1.00 0.00 C ATOM 578 O PRO A 39 19.606 -2.228 2.091 1.00 0.00 O ATOM 579 CB PRO A 39 17.082 -1.088 3.952 1.00 0.00 C ATOM 580 CG PRO A 39 16.254 -1.980 4.811 1.00 0.00 C ATOM 581 CD PRO A 39 15.371 -2.755 3.873 1.00 0.00 C ATOM 0 HA PRO A 39 17.362 -1.262 1.768 1.00 0.00 H new ATOM 0 HB2 PRO A 39 18.030 -0.844 4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.573 -0.145 3.754 1.00 0.00 H new ATOM 0 HG2 PRO A 39 16.882 -2.650 5.398 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.660 -1.400 5.517 1.00 0.00 H new ATOM 0 HD2 PRO A 39 15.170 -3.759 4.248 1.00 0.00 H new ATOM 0 HD3 PRO A 39 14.406 -2.267 3.734 1.00 0.00 H new ATOM 589 N ASP A 40 18.648 -3.731 3.465 1.00 0.00 N ATOM 590 CA ASP A 40 19.854 -4.540 3.599 1.00 0.00 C ATOM 591 C ASP A 40 20.209 -5.210 2.276 1.00 0.00 C ATOM 592 O ASP A 40 21.383 -5.359 1.937 1.00 0.00 O ATOM 593 CB ASP A 40 19.665 -5.599 4.687 1.00 0.00 C ATOM 594 CG ASP A 40 19.799 -5.025 6.083 1.00 0.00 C ATOM 595 OD1 ASP A 40 19.431 -3.848 6.279 1.00 0.00 O ATOM 596 OD2 ASP A 40 20.274 -5.753 6.981 1.00 0.00 O ATOM 0 H ASP A 40 17.845 -4.080 3.989 1.00 0.00 H new ATOM 0 HA ASP A 40 20.674 -3.881 3.883 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.681 -6.056 4.578 1.00 0.00 H new ATOM 0 HB3 ASP A 40 20.401 -6.391 4.551 1.00 0.00 H new ATOM 601 N LYS A 41 19.185 -5.614 1.530 1.00 0.00 N ATOM 602 CA LYS A 41 19.387 -6.268 0.243 1.00 0.00 C ATOM 603 C LYS A 41 19.863 -5.269 -0.807 1.00 0.00 C ATOM 604 O LYS A 41 20.442 -5.651 -1.823 1.00 0.00 O ATOM 605 CB LYS A 41 18.091 -6.934 -0.223 1.00 0.00 C ATOM 606 CG LYS A 41 17.797 -8.250 0.477 1.00 0.00 C ATOM 607 CD LYS A 41 18.707 -9.361 -0.019 1.00 0.00 C ATOM 608 CE LYS A 41 18.481 -10.653 0.751 1.00 0.00 C ATOM 609 NZ LYS A 41 18.920 -11.846 -0.026 1.00 0.00 N ATOM 0 H LYS A 41 18.207 -5.500 1.796 1.00 0.00 H new ATOM 0 HA LYS A 41 20.156 -7.030 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 41 17.260 -6.249 -0.055 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.148 -7.109 -1.297 1.00 0.00 H new ATOM 0 HG2 LYS A 41 17.924 -8.127 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 41 16.757 -8.528 0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.528 -9.533 -1.080 1.00 0.00 H new ATOM 0 HD3 LYS A 41 19.748 -9.053 0.083 1.00 0.00 H new ATOM 0 HE2 LYS A 41 19.026 -10.614 1.694 1.00 0.00 H new ATOM 0 HE3 LYS A 41 17.423 -10.749 0.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 18.749 -12.706 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 18.383 -11.898 -0.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.935 -11.767 -0.239 1.00 0.00 H new ATOM 623 N ASN A 42 19.617 -3.988 -0.553 1.00 0.00 N ATOM 624 CA ASN A 42 20.021 -2.934 -1.476 1.00 0.00 C ATOM 625 C ASN A 42 21.182 -2.126 -0.904 1.00 0.00 C ATOM 626 O ASN A 42 21.007 -1.266 -0.041 1.00 0.00 O ATOM 627 CB ASN A 42 18.840 -2.009 -1.776 1.00 0.00 C ATOM 628 CG ASN A 42 17.777 -2.684 -2.620 1.00 0.00 C ATOM 629 OD1 ASN A 42 17.991 -2.966 -3.799 1.00 0.00 O ATOM 630 ND2 ASN A 42 16.622 -2.946 -2.018 1.00 0.00 N ATOM 0 H ASN A 42 19.140 -3.655 0.285 1.00 0.00 H new ATOM 0 HA ASN A 42 20.350 -3.404 -2.403 1.00 0.00 H new ATOM 0 HB2 ASN A 42 18.397 -1.674 -0.838 1.00 0.00 H new ATOM 0 HB3 ASN A 42 19.201 -1.120 -2.293 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.868 -3.399 -2.535 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.489 -2.694 -1.039 1.00 0.00 H new ATOM 637 N PRO A 43 22.398 -2.408 -1.396 1.00 0.00 N ATOM 638 CA PRO A 43 23.612 -1.718 -0.949 1.00 0.00 C ATOM 639 C PRO A 43 23.655 -0.265 -1.409 1.00 0.00 C ATOM 640 O PRO A 43 23.888 0.642 -0.610 1.00 0.00 O ATOM 641 CB PRO A 43 24.738 -2.521 -1.606 1.00 0.00 C ATOM 642 CG PRO A 43 24.110 -3.144 -2.804 1.00 0.00 C ATOM 643 CD PRO A 43 22.681 -3.422 -2.426 1.00 0.00 C ATOM 0 HA PRO A 43 23.680 -1.674 0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 43 25.572 -1.877 -1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 43 25.133 -3.277 -0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 43 24.163 -2.476 -3.664 1.00 0.00 H new ATOM 0 HG3 PRO A 43 24.626 -4.063 -3.082 1.00 0.00 H new ATOM 0 HD2 PRO A 43 22.013 -3.324 -3.281 1.00 0.00 H new ATOM 0 HD3 PRO A 43 22.557 -4.433 -2.039 1.00 0.00 H new ATOM 651 N ASP A 44 23.429 -0.051 -2.700 1.00 0.00 N ATOM 652 CA ASP A 44 23.441 1.293 -3.266 1.00 0.00 C ATOM 653 C ASP A 44 22.710 2.273 -2.354 1.00 0.00 C ATOM 654 O ASP A 44 23.292 3.248 -1.881 1.00 0.00 O ATOM 655 CB ASP A 44 22.797 1.291 -4.653 1.00 0.00 C ATOM 656 CG ASP A 44 23.109 0.030 -5.435 1.00 0.00 C ATOM 657 OD1 ASP A 44 24.307 -0.267 -5.628 1.00 0.00 O ATOM 658 OD2 ASP A 44 22.156 -0.661 -5.854 1.00 0.00 O ATOM 0 H ASP A 44 23.235 -0.791 -3.375 1.00 0.00 H new ATOM 0 HA ASP A 44 24.479 1.613 -3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 44 21.717 1.392 -4.549 1.00 0.00 H new ATOM 0 HB3 ASP A 44 23.146 2.158 -5.214 1.00 0.00 H new ATOM 663 N ASN A 45 21.430 2.006 -2.112 1.00 0.00 N ATOM 664 CA ASN A 45 20.619 2.866 -1.258 1.00 0.00 C ATOM 665 C ASN A 45 19.879 2.045 -0.205 1.00 0.00 C ATOM 666 O ASN A 45 19.076 1.172 -0.535 1.00 0.00 O ATOM 667 CB ASN A 45 19.617 3.657 -2.100 1.00 0.00 C ATOM 668 CG ASN A 45 19.029 2.831 -3.228 1.00 0.00 C ATOM 669 OD1 ASN A 45 19.627 2.705 -4.296 1.00 0.00 O ATOM 670 ND2 ASN A 45 17.851 2.264 -2.993 1.00 0.00 N ATOM 0 H ASN A 45 20.933 1.202 -2.495 1.00 0.00 H new ATOM 0 HA ASN A 45 21.285 3.562 -0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 45 18.812 4.016 -1.459 1.00 0.00 H new ATOM 0 HB3 ASN A 45 20.110 4.536 -2.516 1.00 0.00 H new ATOM 0 HD21 ASN A 45 17.405 1.696 -3.714 1.00 0.00 H new ATOM 0 HD22 ASN A 45 17.392 2.396 -2.092 1.00 0.00 H new ATOM 677 N LYS A 46 20.156 2.331 1.062 1.00 0.00 N ATOM 678 CA LYS A 46 19.516 1.622 2.164 1.00 0.00 C ATOM 679 C LYS A 46 18.258 2.351 2.623 1.00 0.00 C ATOM 680 O LYS A 46 17.201 1.742 2.783 1.00 0.00 O ATOM 681 CB LYS A 46 20.490 1.475 3.336 1.00 0.00 C ATOM 682 CG LYS A 46 21.400 0.264 3.223 1.00 0.00 C ATOM 683 CD LYS A 46 22.647 0.578 2.415 1.00 0.00 C ATOM 684 CE LYS A 46 23.738 -0.455 2.650 1.00 0.00 C ATOM 685 NZ LYS A 46 24.389 -0.282 3.978 1.00 0.00 N ATOM 0 H LYS A 46 20.820 3.049 1.352 1.00 0.00 H new ATOM 0 HA LYS A 46 19.231 0.632 1.809 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.103 2.374 3.403 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.921 1.406 4.263 1.00 0.00 H new ATOM 0 HG2 LYS A 46 21.686 -0.072 4.220 1.00 0.00 H new ATOM 0 HG3 LYS A 46 20.858 -0.557 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.396 0.609 1.355 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.017 1.567 2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.311 -1.456 2.582 1.00 0.00 H new ATOM 0 HE3 LYS A 46 24.489 -0.375 1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.251 -0.863 4.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 24.638 0.718 4.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 23.733 -0.581 4.728 1.00 0.00 H new ATOM 699 N GLU A 47 18.379 3.658 2.832 1.00 0.00 N ATOM 700 CA GLU A 47 17.250 4.469 3.271 1.00 0.00 C ATOM 701 C GLU A 47 16.120 4.430 2.246 1.00 0.00 C ATOM 702 O GLU A 47 15.013 3.984 2.545 1.00 0.00 O ATOM 703 CB GLU A 47 17.692 5.915 3.505 1.00 0.00 C ATOM 704 CG GLU A 47 16.606 6.796 4.099 1.00 0.00 C ATOM 705 CD GLU A 47 16.371 6.520 5.571 1.00 0.00 C ATOM 706 OE1 GLU A 47 16.284 5.332 5.946 1.00 0.00 O ATOM 707 OE2 GLU A 47 16.275 7.493 6.348 1.00 0.00 O ATOM 0 H GLU A 47 19.247 4.178 2.704 1.00 0.00 H new ATOM 0 HA GLU A 47 16.881 4.054 4.209 1.00 0.00 H new ATOM 0 HB2 GLU A 47 18.555 5.919 4.170 1.00 0.00 H new ATOM 0 HB3 GLU A 47 18.018 6.344 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 47 16.881 7.843 3.969 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.677 6.640 3.551 1.00 0.00 H new ATOM 714 N GLU A 48 16.409 4.902 1.038 1.00 0.00 N ATOM 715 CA GLU A 48 15.418 4.922 -0.031 1.00 0.00 C ATOM 716 C GLU A 48 14.577 3.649 -0.017 1.00 0.00 C ATOM 717 O GLU A 48 13.348 3.704 -0.058 1.00 0.00 O ATOM 718 CB GLU A 48 16.103 5.079 -1.390 1.00 0.00 C ATOM 719 CG GLU A 48 15.143 5.022 -2.566 1.00 0.00 C ATOM 720 CD GLU A 48 15.687 5.717 -3.799 1.00 0.00 C ATOM 721 OE1 GLU A 48 15.850 6.955 -3.757 1.00 0.00 O ATOM 722 OE2 GLU A 48 15.949 5.025 -4.804 1.00 0.00 O ATOM 0 H GLU A 48 17.321 5.276 0.775 1.00 0.00 H new ATOM 0 HA GLU A 48 14.759 5.774 0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.635 6.030 -1.412 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.850 4.294 -1.504 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.930 3.980 -2.805 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.198 5.484 -2.281 1.00 0.00 H new ATOM 729 N ALA A 49 15.249 2.504 0.040 1.00 0.00 N ATOM 730 CA ALA A 49 14.564 1.217 0.060 1.00 0.00 C ATOM 731 C ALA A 49 13.779 1.033 1.355 1.00 0.00 C ATOM 732 O ALA A 49 12.642 0.563 1.340 1.00 0.00 O ATOM 733 CB ALA A 49 15.565 0.084 -0.118 1.00 0.00 C ATOM 0 H ALA A 49 16.267 2.441 0.073 1.00 0.00 H new ATOM 0 HA ALA A 49 13.857 1.196 -0.769 1.00 0.00 H new ATOM 0 HB1 ALA A 49 15.040 -0.871 -0.101 1.00 0.00 H new ATOM 0 HB2 ALA A 49 16.079 0.199 -1.072 1.00 0.00 H new ATOM 0 HB3 ALA A 49 16.294 0.112 0.692 1.00 0.00 H new ATOM 739 N GLU A 50 14.394 1.407 2.473 1.00 0.00 N ATOM 740 CA GLU A 50 13.752 1.281 3.776 1.00 0.00 C ATOM 741 C GLU A 50 12.340 1.859 3.744 1.00 0.00 C ATOM 742 O GLU A 50 11.369 1.175 4.066 1.00 0.00 O ATOM 743 CB GLU A 50 14.581 1.990 4.848 1.00 0.00 C ATOM 744 CG GLU A 50 14.402 1.408 6.240 1.00 0.00 C ATOM 745 CD GLU A 50 15.453 1.896 7.217 1.00 0.00 C ATOM 746 OE1 GLU A 50 16.632 2.001 6.816 1.00 0.00 O ATOM 747 OE2 GLU A 50 15.099 2.174 8.382 1.00 0.00 O ATOM 0 H GLU A 50 15.335 1.799 2.502 1.00 0.00 H new ATOM 0 HA GLU A 50 13.687 0.221 4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 50 15.635 1.937 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 50 14.309 3.045 4.867 1.00 0.00 H new ATOM 0 HG2 GLU A 50 13.413 1.671 6.615 1.00 0.00 H new ATOM 0 HG3 GLU A 50 14.442 0.320 6.183 1.00 0.00 H new ATOM 754 N LYS A 51 12.234 3.125 3.354 1.00 0.00 N ATOM 755 CA LYS A 51 10.942 3.798 3.279 1.00 0.00 C ATOM 756 C LYS A 51 9.885 2.878 2.677 1.00 0.00 C ATOM 757 O LYS A 51 8.883 2.563 3.319 1.00 0.00 O ATOM 758 CB LYS A 51 11.057 5.076 2.445 1.00 0.00 C ATOM 759 CG LYS A 51 9.717 5.716 2.126 1.00 0.00 C ATOM 760 CD LYS A 51 9.044 6.253 3.378 1.00 0.00 C ATOM 761 CE LYS A 51 9.360 7.725 3.594 1.00 0.00 C ATOM 762 NZ LYS A 51 10.753 7.927 4.082 1.00 0.00 N ATOM 0 H LYS A 51 13.028 3.706 3.085 1.00 0.00 H new ATOM 0 HA LYS A 51 10.637 4.060 4.292 1.00 0.00 H new ATOM 0 HB2 LYS A 51 11.675 5.796 2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.572 4.846 1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.861 6.527 1.413 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.067 4.983 1.648 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.965 6.119 3.298 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.373 5.678 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.220 8.268 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.658 8.145 4.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.827 8.854 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.995 7.178 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.411 7.890 3.278 1.00 0.00 H new ATOM 776 N LYS A 52 10.114 2.450 1.440 1.00 0.00 N ATOM 777 CA LYS A 52 9.183 1.564 0.751 1.00 0.00 C ATOM 778 C LYS A 52 8.808 0.377 1.633 1.00 0.00 C ATOM 779 O LYS A 52 7.657 -0.058 1.648 1.00 0.00 O ATOM 780 CB LYS A 52 9.796 1.067 -0.560 1.00 0.00 C ATOM 781 CG LYS A 52 10.181 2.184 -1.514 1.00 0.00 C ATOM 782 CD LYS A 52 9.035 2.540 -2.447 1.00 0.00 C ATOM 783 CE LYS A 52 9.374 3.745 -3.310 1.00 0.00 C ATOM 784 NZ LYS A 52 8.152 4.480 -3.741 1.00 0.00 N ATOM 0 H LYS A 52 10.937 2.703 0.894 1.00 0.00 H new ATOM 0 HA LYS A 52 8.278 2.129 0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.681 0.472 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.085 0.406 -1.056 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.475 3.065 -0.944 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.048 1.880 -2.101 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.805 1.687 -3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.140 2.750 -1.862 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.026 4.419 -2.753 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.930 3.418 -4.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 8.425 5.294 -4.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 7.542 3.845 -4.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.635 4.815 -2.903 1.00 0.00 H new ATOM 798 N PHE A 53 9.787 -0.142 2.366 1.00 0.00 N ATOM 799 CA PHE A 53 9.559 -1.278 3.251 1.00 0.00 C ATOM 800 C PHE A 53 8.366 -1.024 4.167 1.00 0.00 C ATOM 801 O PHE A 53 7.566 -1.923 4.428 1.00 0.00 O ATOM 802 CB PHE A 53 10.809 -1.558 4.089 1.00 0.00 C ATOM 803 CG PHE A 53 10.802 -2.910 4.743 1.00 0.00 C ATOM 804 CD1 PHE A 53 11.189 -4.038 4.038 1.00 0.00 C ATOM 805 CD2 PHE A 53 10.407 -3.053 6.064 1.00 0.00 C ATOM 806 CE1 PHE A 53 11.182 -5.283 4.638 1.00 0.00 C ATOM 807 CE2 PHE A 53 10.399 -4.296 6.669 1.00 0.00 C ATOM 808 CZ PHE A 53 10.788 -5.412 5.955 1.00 0.00 C ATOM 0 H PHE A 53 10.746 0.206 2.365 1.00 0.00 H new ATOM 0 HA PHE A 53 9.341 -2.149 2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.690 -1.476 3.452 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.900 -0.791 4.859 1.00 0.00 H new ATOM 0 HD1 PHE A 53 11.500 -3.943 3.008 1.00 0.00 H new ATOM 0 HD2 PHE A 53 10.102 -2.183 6.627 1.00 0.00 H new ATOM 0 HE1 PHE A 53 11.485 -6.155 4.077 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.089 -4.394 7.699 1.00 0.00 H new ATOM 0 HZ PHE A 53 10.784 -6.384 6.426 1.00 0.00 H new ATOM 818 N LYS A 54 8.252 0.207 4.652 1.00 0.00 N ATOM 819 CA LYS A 54 7.157 0.583 5.539 1.00 0.00 C ATOM 820 C LYS A 54 5.847 0.701 4.766 1.00 0.00 C ATOM 821 O LYS A 54 4.783 0.340 5.269 1.00 0.00 O ATOM 822 CB LYS A 54 7.471 1.908 6.238 1.00 0.00 C ATOM 823 CG LYS A 54 6.415 2.329 7.245 1.00 0.00 C ATOM 824 CD LYS A 54 6.680 1.727 8.615 1.00 0.00 C ATOM 825 CE LYS A 54 5.388 1.519 9.391 1.00 0.00 C ATOM 826 NZ LYS A 54 4.564 0.422 8.813 1.00 0.00 N ATOM 0 H LYS A 54 8.905 0.963 4.446 1.00 0.00 H new ATOM 0 HA LYS A 54 7.046 -0.199 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.432 1.823 6.746 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.576 2.690 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.397 3.416 7.322 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.431 2.018 6.894 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.195 0.773 8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.343 2.382 9.180 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.622 1.288 10.430 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.812 2.444 9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.900 0.071 9.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.031 0.782 7.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.185 -0.354 8.506 1.00 0.00 H new ATOM 840 N LEU A 55 5.933 1.207 3.540 1.00 0.00 N ATOM 841 CA LEU A 55 4.754 1.371 2.696 1.00 0.00 C ATOM 842 C LEU A 55 4.156 0.018 2.327 1.00 0.00 C ATOM 843 O LEU A 55 2.956 -0.207 2.486 1.00 0.00 O ATOM 844 CB LEU A 55 5.115 2.146 1.428 1.00 0.00 C ATOM 845 CG LEU A 55 4.987 3.667 1.511 1.00 0.00 C ATOM 846 CD1 LEU A 55 3.564 4.064 1.871 1.00 0.00 C ATOM 847 CD2 LEU A 55 5.973 4.231 2.524 1.00 0.00 C ATOM 0 H LEU A 55 6.806 1.510 3.109 1.00 0.00 H new ATOM 0 HA LEU A 55 4.010 1.934 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 55 6.142 1.902 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.479 1.792 0.617 1.00 0.00 H new ATOM 0 HG LEU A 55 5.223 4.086 0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.492 5.150 1.926 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.879 3.693 1.109 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.300 3.634 2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.868 5.315 2.570 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.769 3.805 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.989 3.978 2.222 1.00 0.00 H new ATOM 859 N VAL A 56 5.001 -0.883 1.835 1.00 0.00 N ATOM 860 CA VAL A 56 4.557 -2.216 1.446 1.00 0.00 C ATOM 861 C VAL A 56 3.911 -2.944 2.619 1.00 0.00 C ATOM 862 O VAL A 56 3.079 -3.831 2.431 1.00 0.00 O ATOM 863 CB VAL A 56 5.727 -3.063 0.912 1.00 0.00 C ATOM 864 CG1 VAL A 56 6.726 -3.356 2.021 1.00 0.00 C ATOM 865 CG2 VAL A 56 5.211 -4.354 0.294 1.00 0.00 C ATOM 0 H VAL A 56 5.997 -0.713 1.696 1.00 0.00 H new ATOM 0 HA VAL A 56 3.821 -2.086 0.653 1.00 0.00 H new ATOM 0 HB VAL A 56 6.239 -2.494 0.136 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.545 -3.955 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.120 -2.418 2.413 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.230 -3.905 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.051 -4.940 -0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.673 -4.929 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.539 -4.119 -0.531 1.00 0.00 H new ATOM 875 N SER A 57 4.300 -2.563 3.832 1.00 0.00 N ATOM 876 CA SER A 57 3.761 -3.182 5.037 1.00 0.00 C ATOM 877 C SER A 57 2.474 -2.490 5.474 1.00 0.00 C ATOM 878 O SER A 57 1.508 -3.143 5.866 1.00 0.00 O ATOM 879 CB SER A 57 4.791 -3.129 6.167 1.00 0.00 C ATOM 880 OG SER A 57 4.310 -3.786 7.327 1.00 0.00 O ATOM 0 H SER A 57 4.986 -1.829 4.006 1.00 0.00 H new ATOM 0 HA SER A 57 3.534 -4.224 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.719 -3.596 5.839 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.023 -2.091 6.403 1.00 0.00 H new ATOM 0 HG SER A 57 4.987 -3.739 8.034 1.00 0.00 H new ATOM 886 N GLU A 58 2.470 -1.162 5.404 1.00 0.00 N ATOM 887 CA GLU A 58 1.302 -0.381 5.793 1.00 0.00 C ATOM 888 C GLU A 58 0.112 -0.694 4.890 1.00 0.00 C ATOM 889 O GLU A 58 -1.008 -0.878 5.364 1.00 0.00 O ATOM 890 CB GLU A 58 1.620 1.115 5.736 1.00 0.00 C ATOM 891 CG GLU A 58 0.514 1.994 6.298 1.00 0.00 C ATOM 892 CD GLU A 58 0.664 2.238 7.787 1.00 0.00 C ATOM 893 OE1 GLU A 58 1.069 1.300 8.504 1.00 0.00 O ATOM 894 OE2 GLU A 58 0.375 3.367 8.235 1.00 0.00 O ATOM 0 H GLU A 58 3.262 -0.606 5.082 1.00 0.00 H new ATOM 0 HA GLU A 58 1.040 -0.651 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.540 1.304 6.290 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.808 1.399 4.700 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.514 2.950 5.775 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.451 1.525 6.106 1.00 0.00 H new ATOM 901 N ALA A 59 0.365 -0.751 3.586 1.00 0.00 N ATOM 902 CA ALA A 59 -0.683 -1.043 2.617 1.00 0.00 C ATOM 903 C ALA A 59 -1.169 -2.483 2.750 1.00 0.00 C ATOM 904 O ALA A 59 -2.371 -2.740 2.810 1.00 0.00 O ATOM 905 CB ALA A 59 -0.183 -0.782 1.204 1.00 0.00 C ATOM 0 H ALA A 59 1.287 -0.599 3.177 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.526 -0.382 2.821 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.976 -1.004 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.108 0.264 1.109 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.678 -1.418 0.999 1.00 0.00 H new ATOM 911 N TYR A 60 -0.227 -3.418 2.795 1.00 0.00 N ATOM 912 CA TYR A 60 -0.559 -4.833 2.918 1.00 0.00 C ATOM 913 C TYR A 60 -1.707 -5.039 3.901 1.00 0.00 C ATOM 914 O TYR A 60 -2.581 -5.877 3.683 1.00 0.00 O ATOM 915 CB TYR A 60 0.666 -5.628 3.373 1.00 0.00 C ATOM 916 CG TYR A 60 0.325 -6.969 3.983 1.00 0.00 C ATOM 917 CD1 TYR A 60 -0.566 -7.832 3.357 1.00 0.00 C ATOM 918 CD2 TYR A 60 0.892 -7.371 5.186 1.00 0.00 C ATOM 919 CE1 TYR A 60 -0.882 -9.058 3.912 1.00 0.00 C ATOM 920 CE2 TYR A 60 0.583 -8.595 5.747 1.00 0.00 C ATOM 921 CZ TYR A 60 -0.304 -9.435 5.106 1.00 0.00 C ATOM 922 OH TYR A 60 -0.615 -10.654 5.662 1.00 0.00 O ATOM 0 H TYR A 60 0.773 -3.222 2.748 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.874 -5.193 1.939 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.325 -5.784 2.519 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.222 -5.038 4.101 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.019 -7.540 2.421 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.586 -6.716 5.691 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -1.578 -9.717 3.413 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.033 -8.893 6.682 1.00 0.00 H new ATOM 0 HH TYR A 60 -0.122 -10.766 6.502 1.00 0.00 H new ATOM 932 N GLU A 61 -1.697 -4.267 4.983 1.00 0.00 N ATOM 933 CA GLU A 61 -2.737 -4.365 6.000 1.00 0.00 C ATOM 934 C GLU A 61 -4.017 -3.675 5.537 1.00 0.00 C ATOM 935 O GLU A 61 -5.110 -4.230 5.648 1.00 0.00 O ATOM 936 CB GLU A 61 -2.257 -3.746 7.314 1.00 0.00 C ATOM 937 CG GLU A 61 -1.045 -4.443 7.909 1.00 0.00 C ATOM 938 CD GLU A 61 -1.382 -5.800 8.495 1.00 0.00 C ATOM 939 OE1 GLU A 61 -2.502 -5.956 9.025 1.00 0.00 O ATOM 940 OE2 GLU A 61 -0.526 -6.706 8.423 1.00 0.00 O ATOM 0 H GLU A 61 -0.981 -3.567 5.178 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.952 -5.421 6.162 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.015 -2.697 7.144 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -3.072 -3.772 8.037 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.285 -4.563 7.137 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.613 -3.813 8.686 1.00 0.00 H new ATOM 947 N VAL A 62 -3.873 -2.459 5.019 1.00 0.00 N ATOM 948 CA VAL A 62 -5.016 -1.692 4.539 1.00 0.00 C ATOM 949 C VAL A 62 -5.896 -2.533 3.622 1.00 0.00 C ATOM 950 O VAL A 62 -7.124 -2.460 3.684 1.00 0.00 O ATOM 951 CB VAL A 62 -4.566 -0.428 3.783 1.00 0.00 C ATOM 952 CG1 VAL A 62 -5.756 0.255 3.127 1.00 0.00 C ATOM 953 CG2 VAL A 62 -3.844 0.527 4.723 1.00 0.00 C ATOM 0 H VAL A 62 -2.976 -1.984 4.921 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.590 -1.396 5.417 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.870 -0.724 2.998 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.418 1.146 2.598 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.225 -0.430 2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.479 0.540 3.891 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.533 1.414 4.172 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.515 0.818 5.531 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.966 0.033 5.140 1.00 0.00 H new ATOM 963 N LEU A 63 -5.261 -3.332 2.772 1.00 0.00 N ATOM 964 CA LEU A 63 -5.987 -4.189 1.841 1.00 0.00 C ATOM 965 C LEU A 63 -6.312 -5.536 2.480 1.00 0.00 C ATOM 966 O LEU A 63 -7.433 -6.031 2.371 1.00 0.00 O ATOM 967 CB LEU A 63 -5.167 -4.401 0.567 1.00 0.00 C ATOM 968 CG LEU A 63 -4.784 -3.137 -0.203 1.00 0.00 C ATOM 969 CD1 LEU A 63 -3.817 -3.470 -1.329 1.00 0.00 C ATOM 970 CD2 LEU A 63 -6.027 -2.450 -0.750 1.00 0.00 C ATOM 0 H LEU A 63 -4.246 -3.404 2.708 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.924 -3.694 1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.253 -4.932 0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.732 -5.052 -0.101 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.287 -2.452 0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.556 -2.558 -1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.914 -3.917 -0.913 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.287 -4.173 -2.016 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.736 -1.552 -1.295 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -6.552 -3.129 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.684 -2.176 0.075 1.00 0.00 H new ATOM 982 N SER A 64 -5.323 -6.121 3.149 1.00 0.00 N ATOM 983 CA SER A 64 -5.504 -7.411 3.805 1.00 0.00 C ATOM 984 C SER A 64 -6.814 -7.446 4.584 1.00 0.00 C ATOM 985 O SER A 64 -7.522 -8.453 4.586 1.00 0.00 O ATOM 986 CB SER A 64 -4.331 -7.697 4.744 1.00 0.00 C ATOM 987 OG SER A 64 -4.614 -8.796 5.593 1.00 0.00 O ATOM 0 H SER A 64 -4.390 -5.723 3.251 1.00 0.00 H new ATOM 0 HA SER A 64 -5.540 -8.181 3.034 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.435 -7.906 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.119 -6.813 5.346 1.00 0.00 H new ATOM 0 HG SER A 64 -3.848 -8.960 6.182 1.00 0.00 H new ATOM 993 N ASP A 65 -7.131 -6.338 5.246 1.00 0.00 N ATOM 994 CA ASP A 65 -8.357 -6.240 6.030 1.00 0.00 C ATOM 995 C ASP A 65 -9.571 -6.077 5.121 1.00 0.00 C ATOM 996 O ASP A 65 -9.433 -5.855 3.918 1.00 0.00 O ATOM 997 CB ASP A 65 -8.272 -5.063 7.003 1.00 0.00 C ATOM 998 CG ASP A 65 -9.046 -5.313 8.283 1.00 0.00 C ATOM 999 OD1 ASP A 65 -9.263 -6.495 8.624 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -9.434 -4.327 8.943 1.00 0.00 O ATOM 0 H ASP A 65 -6.556 -5.496 5.255 1.00 0.00 H new ATOM 0 HA ASP A 65 -8.471 -7.164 6.598 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -7.227 -4.871 7.245 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -8.657 -4.166 6.518 1.00 0.00 H new ATOM 1005 N SER A 66 -10.760 -6.191 5.704 1.00 0.00 N ATOM 1006 CA SER A 66 -11.999 -6.062 4.946 1.00 0.00 C ATOM 1007 C SER A 66 -12.520 -4.629 4.996 1.00 0.00 C ATOM 1008 O SER A 66 -12.974 -4.085 3.989 1.00 0.00 O ATOM 1009 CB SER A 66 -13.059 -7.021 5.492 1.00 0.00 C ATOM 1010 OG SER A 66 -13.966 -7.411 4.476 1.00 0.00 O ATOM 0 H SER A 66 -10.891 -6.372 6.699 1.00 0.00 H new ATOM 0 HA SER A 66 -11.788 -6.318 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.575 -7.904 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 66 -13.604 -6.541 6.305 1.00 0.00 H new ATOM 0 HG SER A 66 -14.632 -8.025 4.850 1.00 0.00 H new ATOM 1016 N LYS A 67 -12.450 -4.022 6.176 1.00 0.00 N ATOM 1017 CA LYS A 67 -12.912 -2.651 6.360 1.00 0.00 C ATOM 1018 C LYS A 67 -11.961 -1.662 5.693 1.00 0.00 C ATOM 1019 O LYS A 67 -12.393 -0.746 4.993 1.00 0.00 O ATOM 1020 CB LYS A 67 -13.037 -2.329 7.851 1.00 0.00 C ATOM 1021 CG LYS A 67 -11.743 -2.515 8.623 1.00 0.00 C ATOM 1022 CD LYS A 67 -11.896 -2.096 10.076 1.00 0.00 C ATOM 1023 CE LYS A 67 -10.608 -1.500 10.623 1.00 0.00 C ATOM 1024 NZ LYS A 67 -10.573 -0.019 10.469 1.00 0.00 N ATOM 0 H LYS A 67 -12.078 -4.458 7.020 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.892 -2.558 5.891 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.373 -1.298 7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.806 -2.965 8.288 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.436 -3.560 8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.952 -1.929 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -12.701 -1.366 10.162 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.182 -2.959 10.677 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.507 -1.758 11.677 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.756 -1.939 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.680 0.349 10.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -10.643 0.227 9.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.372 0.403 10.985 1.00 0.00 H new ATOM 1038 N LYS A 68 -10.665 -1.854 5.914 1.00 0.00 N ATOM 1039 CA LYS A 68 -9.652 -0.981 5.333 1.00 0.00 C ATOM 1040 C LYS A 68 -9.667 -1.069 3.810 1.00 0.00 C ATOM 1041 O LYS A 68 -9.559 -0.055 3.120 1.00 0.00 O ATOM 1042 CB LYS A 68 -8.265 -1.352 5.863 1.00 0.00 C ATOM 1043 CG LYS A 68 -8.049 -0.975 7.318 1.00 0.00 C ATOM 1044 CD LYS A 68 -6.574 -0.796 7.635 1.00 0.00 C ATOM 1045 CE LYS A 68 -6.366 -0.281 9.051 1.00 0.00 C ATOM 1046 NZ LYS A 68 -6.336 1.207 9.101 1.00 0.00 N ATOM 0 H LYS A 68 -10.291 -2.607 6.492 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.882 0.044 5.622 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.117 -2.426 5.749 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.508 -0.859 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.584 -0.051 7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.469 -1.748 7.961 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.057 -1.748 7.513 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.130 -0.099 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.166 -0.650 9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.431 -0.677 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.192 1.519 10.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.557 1.559 8.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.238 1.585 8.746 1.00 0.00 H new ATOM 1060 N ARG A 69 -9.801 -2.286 3.294 1.00 0.00 N ATOM 1061 CA ARG A 69 -9.830 -2.505 1.853 1.00 0.00 C ATOM 1062 C ARG A 69 -11.026 -1.802 1.219 1.00 0.00 C ATOM 1063 O ARG A 69 -10.877 -1.038 0.266 1.00 0.00 O ATOM 1064 CB ARG A 69 -9.883 -4.003 1.544 1.00 0.00 C ATOM 1065 CG ARG A 69 -9.831 -4.321 0.059 1.00 0.00 C ATOM 1066 CD ARG A 69 -9.679 -5.814 -0.186 1.00 0.00 C ATOM 1067 NE ARG A 69 -9.014 -6.096 -1.456 1.00 0.00 N ATOM 1068 CZ ARG A 69 -8.555 -7.295 -1.795 1.00 0.00 C ATOM 1069 NH1 ARG A 69 -8.687 -8.319 -0.962 1.00 0.00 N ATOM 1070 NH2 ARG A 69 -7.962 -7.472 -2.968 1.00 0.00 N ATOM 0 H ARG A 69 -9.891 -3.135 3.852 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.918 -2.085 1.429 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.049 -4.498 2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -10.798 -4.420 1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.741 -3.963 -0.423 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.997 -3.789 -0.399 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.108 -6.259 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.662 -6.284 -0.180 1.00 0.00 H new ATOM 0 HE ARG A 69 -8.896 -5.330 -2.119 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.142 -8.186 -0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.334 -9.239 -1.225 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -7.858 -6.687 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.610 -8.393 -3.227 1.00 0.00 H new ATOM 1084 N SER A 70 -12.214 -2.065 1.756 1.00 0.00 N ATOM 1085 CA SER A 70 -13.437 -1.461 1.241 1.00 0.00 C ATOM 1086 C SER A 70 -13.427 0.050 1.454 1.00 0.00 C ATOM 1087 O SER A 70 -13.736 0.819 0.542 1.00 0.00 O ATOM 1088 CB SER A 70 -14.661 -2.075 1.923 1.00 0.00 C ATOM 1089 OG SER A 70 -14.824 -3.433 1.550 1.00 0.00 O ATOM 0 H SER A 70 -12.355 -2.693 2.548 1.00 0.00 H new ATOM 0 HA SER A 70 -13.489 -1.660 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.553 -2.002 3.005 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.553 -1.511 1.653 1.00 0.00 H new ATOM 0 HG SER A 70 -14.308 -4.003 2.157 1.00 0.00 H new ATOM 1095 N LEU A 71 -13.070 0.469 2.663 1.00 0.00 N ATOM 1096 CA LEU A 71 -13.020 1.888 2.997 1.00 0.00 C ATOM 1097 C LEU A 71 -12.163 2.653 1.994 1.00 0.00 C ATOM 1098 O LEU A 71 -12.604 3.648 1.418 1.00 0.00 O ATOM 1099 CB LEU A 71 -12.466 2.080 4.410 1.00 0.00 C ATOM 1100 CG LEU A 71 -13.470 1.921 5.552 1.00 0.00 C ATOM 1101 CD1 LEU A 71 -12.752 1.882 6.892 1.00 0.00 C ATOM 1102 CD2 LEU A 71 -14.491 3.049 5.525 1.00 0.00 C ATOM 0 H LEU A 71 -12.811 -0.154 3.428 1.00 0.00 H new ATOM 0 HA LEU A 71 -14.035 2.282 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.657 1.365 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.027 3.076 4.475 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.998 0.977 5.418 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.482 1.768 7.693 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.060 1.040 6.910 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.198 2.810 7.035 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -15.198 2.920 6.345 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.980 4.005 5.634 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -15.028 3.031 4.577 1.00 0.00 H new ATOM 1114 N TYR A 72 -10.938 2.182 1.789 1.00 0.00 N ATOM 1115 CA TYR A 72 -10.019 2.822 0.856 1.00 0.00 C ATOM 1116 C TYR A 72 -10.710 3.118 -0.472 1.00 0.00 C ATOM 1117 O TYR A 72 -10.522 4.184 -1.059 1.00 0.00 O ATOM 1118 CB TYR A 72 -8.796 1.934 0.621 1.00 0.00 C ATOM 1119 CG TYR A 72 -7.801 2.519 -0.356 1.00 0.00 C ATOM 1120 CD1 TYR A 72 -7.312 3.809 -0.190 1.00 0.00 C ATOM 1121 CD2 TYR A 72 -7.349 1.781 -1.443 1.00 0.00 C ATOM 1122 CE1 TYR A 72 -6.403 4.347 -1.080 1.00 0.00 C ATOM 1123 CE2 TYR A 72 -6.439 2.311 -2.337 1.00 0.00 C ATOM 1124 CZ TYR A 72 -5.970 3.595 -2.152 1.00 0.00 C ATOM 1125 OH TYR A 72 -5.063 4.128 -3.040 1.00 0.00 O ATOM 0 H TYR A 72 -10.559 1.359 2.257 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.695 3.766 1.295 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.297 1.758 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.128 0.964 0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -7.648 4.401 0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.715 0.776 -1.591 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -6.033 5.352 -0.937 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.097 1.723 -3.176 1.00 0.00 H new ATOM 0 HH TYR A 72 -4.861 3.469 -3.737 1.00 0.00 H new ATOM 1135 N ASP A 73 -11.510 2.166 -0.940 1.00 0.00 N ATOM 1136 CA ASP A 73 -12.231 2.324 -2.198 1.00 0.00 C ATOM 1137 C ASP A 73 -13.286 3.420 -2.086 1.00 0.00 C ATOM 1138 O ASP A 73 -13.405 4.272 -2.967 1.00 0.00 O ATOM 1139 CB ASP A 73 -12.891 1.004 -2.600 1.00 0.00 C ATOM 1140 CG ASP A 73 -13.567 1.084 -3.955 1.00 0.00 C ATOM 1141 OD1 ASP A 73 -14.208 2.118 -4.237 1.00 0.00 O ATOM 1142 OD2 ASP A 73 -13.456 0.113 -4.732 1.00 0.00 O ATOM 0 H ASP A 73 -11.676 1.277 -0.468 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.513 2.612 -2.966 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -12.138 0.216 -2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -13.627 0.725 -1.846 1.00 0.00 H new ATOM 1147 N ARG A 74 -14.049 3.392 -0.999 1.00 0.00 N ATOM 1148 CA ARG A 74 -15.095 4.382 -0.773 1.00 0.00 C ATOM 1149 C ARG A 74 -14.595 5.786 -1.101 1.00 0.00 C ATOM 1150 O ARG A 74 -15.155 6.471 -1.956 1.00 0.00 O ATOM 1151 CB ARG A 74 -15.576 4.326 0.678 1.00 0.00 C ATOM 1152 CG ARG A 74 -16.120 2.967 1.088 1.00 0.00 C ATOM 1153 CD ARG A 74 -17.046 3.077 2.288 1.00 0.00 C ATOM 1154 NE ARG A 74 -18.376 3.549 1.912 1.00 0.00 N ATOM 1155 CZ ARG A 74 -19.420 3.537 2.734 1.00 0.00 C ATOM 1156 NH1 ARG A 74 -19.288 3.080 3.972 1.00 0.00 N ATOM 1157 NH2 ARG A 74 -20.598 3.984 2.318 1.00 0.00 N ATOM 0 H ARG A 74 -13.963 2.694 -0.260 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.930 4.149 -1.434 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.749 4.590 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.352 5.077 0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.658 2.522 0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.292 2.299 1.326 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.130 2.104 2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -16.612 3.759 3.019 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.511 3.907 0.967 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.384 2.737 4.295 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.091 3.072 4.601 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -20.703 4.337 1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -21.399 3.975 2.949 1.00 0.00 H new ATOM 1171 N ALA A 75 -13.537 6.206 -0.414 1.00 0.00 N ATOM 1172 CA ALA A 75 -12.961 7.527 -0.633 1.00 0.00 C ATOM 1173 C ALA A 75 -12.239 7.595 -1.974 1.00 0.00 C ATOM 1174 O ALA A 75 -12.600 8.385 -2.846 1.00 0.00 O ATOM 1175 CB ALA A 75 -12.009 7.882 0.500 1.00 0.00 C ATOM 0 H ALA A 75 -13.062 5.651 0.298 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.774 8.253 -0.650 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.586 8.871 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.552 7.883 1.445 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.206 7.147 0.544 1.00 0.00 H new ATOM 1181 N GLY A 76 -11.214 6.763 -2.133 1.00 0.00 N ATOM 1182 CA GLY A 76 -10.457 6.746 -3.371 1.00 0.00 C ATOM 1183 C GLY A 76 -9.315 7.743 -3.366 1.00 0.00 C ATOM 1184 O GLY A 76 -8.168 7.381 -3.101 1.00 0.00 O ATOM 0 H GLY A 76 -10.894 6.100 -1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -10.060 5.744 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -11.124 6.967 -4.204 1.00 0.00 H new ATOM 1188 N CYS A 77 -9.628 8.999 -3.661 1.00 0.00 N ATOM 1189 CA CYS A 77 -8.619 10.052 -3.692 1.00 0.00 C ATOM 1190 C CYS A 77 -8.282 10.524 -2.282 1.00 0.00 C ATOM 1191 O CYS A 77 -9.086 10.380 -1.360 1.00 0.00 O ATOM 1192 CB CYS A 77 -9.107 11.231 -4.535 1.00 0.00 C ATOM 1193 SG CYS A 77 -7.846 12.490 -4.844 1.00 0.00 S ATOM 0 H CYS A 77 -10.573 9.314 -3.882 1.00 0.00 H new ATOM 0 HA CYS A 77 -7.716 9.642 -4.144 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.471 10.854 -5.491 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.955 11.697 -4.032 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.353 13.444 -5.566 1.00 0.00 H new ATOM 1199 N ASP A 78 -7.090 11.086 -2.120 1.00 0.00 N ATOM 1200 CA ASP A 78 -6.646 11.579 -0.822 1.00 0.00 C ATOM 1201 C ASP A 78 -6.245 13.049 -0.906 1.00 0.00 C ATOM 1202 O ASP A 78 -5.230 13.391 -1.513 1.00 0.00 O ATOM 1203 CB ASP A 78 -5.470 10.746 -0.310 1.00 0.00 C ATOM 1204 CG ASP A 78 -5.381 10.737 1.203 1.00 0.00 C ATOM 1205 OD1 ASP A 78 -5.621 11.798 1.817 1.00 0.00 O ATOM 1206 OD2 ASP A 78 -5.071 9.671 1.774 1.00 0.00 O ATOM 0 H ASP A 78 -6.413 11.212 -2.872 1.00 0.00 H new ATOM 0 HA ASP A 78 -7.478 11.487 -0.123 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.569 9.722 -0.671 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.542 11.141 -0.723 1.00 0.00 H new ATOM 1211 N SER A 79 -7.049 13.913 -0.295 1.00 0.00 N ATOM 1212 CA SER A 79 -6.781 15.346 -0.305 1.00 0.00 C ATOM 1213 C SER A 79 -6.280 15.815 1.058 1.00 0.00 C ATOM 1214 O SER A 79 -6.854 15.474 2.092 1.00 0.00 O ATOM 1215 CB SER A 79 -8.042 16.120 -0.692 1.00 0.00 C ATOM 1216 OG SER A 79 -7.726 17.437 -1.107 1.00 0.00 O ATOM 0 H SER A 79 -7.892 13.645 0.213 1.00 0.00 H new ATOM 0 HA SER A 79 -6.004 15.540 -1.044 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.561 15.597 -1.495 1.00 0.00 H new ATOM 0 HB3 SER A 79 -8.724 16.157 0.157 1.00 0.00 H new ATOM 0 HG SER A 79 -8.549 17.910 -1.350 1.00 0.00 H new ATOM 1222 N TRP A 80 -5.208 16.598 1.049 1.00 0.00 N ATOM 1223 CA TRP A 80 -4.629 17.114 2.285 1.00 0.00 C ATOM 1224 C TRP A 80 -5.121 18.530 2.566 1.00 0.00 C ATOM 1225 O TRP A 80 -4.647 19.493 1.964 1.00 0.00 O ATOM 1226 CB TRP A 80 -3.102 17.099 2.202 1.00 0.00 C ATOM 1227 CG TRP A 80 -2.568 16.060 1.263 1.00 0.00 C ATOM 1228 CD1 TRP A 80 -2.034 14.849 1.599 1.00 0.00 C ATOM 1229 CD2 TRP A 80 -2.515 16.141 -0.165 1.00 0.00 C ATOM 1230 NE1 TRP A 80 -1.652 14.172 0.466 1.00 0.00 N ATOM 1231 CE2 TRP A 80 -1.938 14.943 -0.630 1.00 0.00 C ATOM 1232 CE3 TRP A 80 -2.902 17.108 -1.097 1.00 0.00 C ATOM 1233 CZ2 TRP A 80 -1.737 14.690 -1.984 1.00 0.00 C ATOM 1234 CZ3 TRP A 80 -2.702 16.856 -2.441 1.00 0.00 C ATOM 1235 CH2 TRP A 80 -2.125 15.655 -2.874 1.00 0.00 C ATOM 0 H TRP A 80 -4.722 16.890 0.201 1.00 0.00 H new ATOM 0 HA TRP A 80 -4.948 16.469 3.104 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -2.753 18.081 1.882 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -2.693 16.924 3.197 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -1.928 14.478 2.608 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -1.225 13.246 0.444 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -3.349 18.036 -0.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -1.291 13.766 -2.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -2.995 17.597 -3.170 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.983 15.487 -3.931 1.00 0.00 H new ATOM 1246 N ARG A 81 -6.075 18.648 3.484 1.00 0.00 N ATOM 1247 CA ARG A 81 -6.632 19.947 3.844 1.00 0.00 C ATOM 1248 C ARG A 81 -6.051 20.440 5.166 1.00 0.00 C ATOM 1249 O ARG A 81 -6.439 19.975 6.238 1.00 0.00 O ATOM 1250 CB ARG A 81 -8.156 19.862 3.944 1.00 0.00 C ATOM 1251 CG ARG A 81 -8.847 19.706 2.600 1.00 0.00 C ATOM 1252 CD ARG A 81 -10.360 19.676 2.751 1.00 0.00 C ATOM 1253 NE ARG A 81 -10.943 21.013 2.684 1.00 0.00 N ATOM 1254 CZ ARG A 81 -12.134 21.321 3.184 1.00 0.00 C ATOM 1255 NH1 ARG A 81 -12.865 20.392 3.785 1.00 0.00 N ATOM 1256 NH2 ARG A 81 -12.597 22.561 3.083 1.00 0.00 N ATOM 0 H ARG A 81 -6.478 17.861 3.992 1.00 0.00 H new ATOM 0 HA ARG A 81 -6.365 20.658 3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -8.423 19.018 4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.530 20.761 4.433 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.562 20.530 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.510 18.787 2.121 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.790 19.053 1.967 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -10.620 19.214 3.704 1.00 0.00 H new ATOM 0 HE ARG A 81 -10.406 21.751 2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.513 19.438 3.864 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.779 20.631 4.168 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -12.038 23.278 2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -13.512 22.797 3.467 1.00 0.00 H new ATOM 1270 N ALA A 82 -5.118 21.383 5.082 1.00 0.00 N ATOM 1271 CA ALA A 82 -4.485 21.939 6.271 1.00 0.00 C ATOM 1272 C ALA A 82 -3.746 20.860 7.056 1.00 0.00 C ATOM 1273 O ALA A 82 -3.807 20.820 8.284 1.00 0.00 O ATOM 1274 CB ALA A 82 -5.523 22.618 7.153 1.00 0.00 C ATOM 0 H ALA A 82 -4.784 21.778 4.203 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.755 22.682 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.036 23.029 8.038 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.003 23.423 6.596 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.274 21.889 7.458 1.00 0.00 H new ATOM 1280 N GLY A 83 -3.047 19.986 6.337 1.00 0.00 N ATOM 1281 CA GLY A 83 -2.307 18.919 6.983 1.00 0.00 C ATOM 1282 C GLY A 83 -0.809 19.054 6.793 1.00 0.00 C ATOM 1283 O GLY A 83 -0.097 19.475 7.704 1.00 0.00 O ATOM 0 H GLY A 83 -2.981 19.999 5.319 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -2.536 18.916 8.049 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.636 17.960 6.583 1.00 0.00 H new ATOM 1287 N GLY A 84 -0.330 18.695 5.606 1.00 0.00 N ATOM 1288 CA GLY A 84 1.091 18.784 5.322 1.00 0.00 C ATOM 1289 C GLY A 84 1.427 19.944 4.406 1.00 0.00 C ATOM 1290 O GLY A 84 0.608 20.838 4.198 1.00 0.00 O ATOM 0 H GLY A 84 -0.900 18.344 4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 84 1.639 18.893 6.258 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.426 17.854 4.863 1.00 0.00 H new ATOM 1294 N GLY A 85 2.638 19.931 3.857 1.00 0.00 N ATOM 1295 CA GLY A 85 3.060 20.996 2.966 1.00 0.00 C ATOM 1296 C GLY A 85 4.401 21.583 3.359 1.00 0.00 C ATOM 1297 O GLY A 85 4.502 22.773 3.658 1.00 0.00 O ATOM 0 H GLY A 85 3.334 19.202 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 85 3.119 20.612 1.948 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.308 21.785 2.966 1.00 0.00 H new ATOM 1301 N ALA A 86 5.434 20.747 3.360 1.00 0.00 N ATOM 1302 CA ALA A 86 6.776 21.190 3.719 1.00 0.00 C ATOM 1303 C ALA A 86 7.491 21.802 2.519 1.00 0.00 C ATOM 1304 O ALA A 86 8.074 22.881 2.616 1.00 0.00 O ATOM 1305 CB ALA A 86 7.582 20.029 4.280 1.00 0.00 C ATOM 0 H ALA A 86 5.367 19.759 3.116 1.00 0.00 H new ATOM 0 HA ALA A 86 6.685 21.959 4.486 1.00 0.00 H new ATOM 0 HB1 ALA A 86 8.582 20.374 4.544 1.00 0.00 H new ATOM 0 HB2 ALA A 86 7.087 19.638 5.169 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.656 19.241 3.530 1.00 0.00 H new ATOM 1311 N SER A 87 7.441 21.106 1.388 1.00 0.00 N ATOM 1312 CA SER A 87 8.089 21.579 0.170 1.00 0.00 C ATOM 1313 C SER A 87 7.052 21.966 -0.881 1.00 0.00 C ATOM 1314 O SER A 87 5.985 21.360 -0.970 1.00 0.00 O ATOM 1315 CB SER A 87 9.021 20.502 -0.389 1.00 0.00 C ATOM 1316 OG SER A 87 8.302 19.328 -0.723 1.00 0.00 O ATOM 0 H SER A 87 6.959 20.213 1.289 1.00 0.00 H new ATOM 0 HA SER A 87 8.676 22.463 0.420 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.533 20.883 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.790 20.264 0.346 1.00 0.00 H new ATOM 0 HG SER A 87 8.920 18.656 -1.079 1.00 0.00 H new ATOM 1322 N GLY A 88 7.376 22.981 -1.677 1.00 0.00 N ATOM 1323 CA GLY A 88 6.463 23.432 -2.711 1.00 0.00 C ATOM 1324 C GLY A 88 6.137 24.908 -2.593 1.00 0.00 C ATOM 1325 O GLY A 88 6.474 25.563 -1.606 1.00 0.00 O ATOM 0 H GLY A 88 8.254 23.498 -1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 88 6.902 23.237 -3.689 1.00 0.00 H new ATOM 0 HA3 GLY A 88 5.541 22.854 -2.655 1.00 0.00 H new ATOM 1329 N PRO A 89 5.467 25.454 -3.619 1.00 0.00 N ATOM 1330 CA PRO A 89 5.082 26.868 -3.649 1.00 0.00 C ATOM 1331 C PRO A 89 3.991 27.194 -2.635 1.00 0.00 C ATOM 1332 O PRO A 89 2.969 26.511 -2.568 1.00 0.00 O ATOM 1333 CB PRO A 89 4.562 27.063 -5.076 1.00 0.00 C ATOM 1334 CG PRO A 89 4.110 25.708 -5.503 1.00 0.00 C ATOM 1335 CD PRO A 89 5.033 24.732 -4.827 1.00 0.00 C ATOM 0 HA PRO A 89 5.914 27.523 -3.390 1.00 0.00 H new ATOM 0 HB2 PRO A 89 3.742 27.781 -5.104 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.343 27.445 -5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.075 25.532 -5.211 1.00 0.00 H new ATOM 0 HG3 PRO A 89 4.158 25.604 -6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 89 4.522 23.802 -4.578 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.878 24.470 -5.464 1.00 0.00 H new ATOM 1343 N SER A 90 4.214 28.242 -1.849 1.00 0.00 N ATOM 1344 CA SER A 90 3.251 28.656 -0.836 1.00 0.00 C ATOM 1345 C SER A 90 3.289 30.168 -0.635 1.00 0.00 C ATOM 1346 O SER A 90 4.259 30.830 -1.005 1.00 0.00 O ATOM 1347 CB SER A 90 3.536 27.947 0.490 1.00 0.00 C ATOM 1348 OG SER A 90 2.477 28.142 1.411 1.00 0.00 O ATOM 0 H SER A 90 5.053 28.820 -1.894 1.00 0.00 H new ATOM 0 HA SER A 90 2.256 28.378 -1.182 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.676 26.881 0.313 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.466 28.325 0.915 1.00 0.00 H new ATOM 0 HG SER A 90 2.683 27.678 2.249 1.00 0.00 H new ATOM 1354 N SER A 91 2.227 30.708 -0.047 1.00 0.00 N ATOM 1355 CA SER A 91 2.136 32.142 0.199 1.00 0.00 C ATOM 1356 C SER A 91 2.877 32.522 1.478 1.00 0.00 C ATOM 1357 O SER A 91 3.632 33.492 1.507 1.00 0.00 O ATOM 1358 CB SER A 91 0.671 32.573 0.298 1.00 0.00 C ATOM 1359 OG SER A 91 0.115 32.787 -0.987 1.00 0.00 O ATOM 0 H SER A 91 1.417 30.174 0.268 1.00 0.00 H new ATOM 0 HA SER A 91 2.603 32.659 -0.639 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.098 31.808 0.823 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.597 33.487 0.887 1.00 0.00 H new ATOM 0 HG SER A 91 -0.822 33.060 -0.897 1.00 0.00 H new ATOM 1365 N GLY A 92 2.654 31.748 2.536 1.00 0.00 N ATOM 1366 CA GLY A 92 3.306 32.017 3.804 1.00 0.00 C ATOM 1367 C GLY A 92 4.028 30.803 4.354 1.00 0.00 C ATOM 1368 O GLY A 92 3.536 29.680 4.248 1.00 0.00 O ATOM 0 H GLY A 92 2.033 30.939 2.537 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.018 32.833 3.677 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.563 32.352 4.527 1.00 0.00 H new TER 1372 GLY A 92