USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 830 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 50 SER OG : rot -68:sc= 1.21 USER MOD Set 1.2: A 54 ASN :FLIP amide:sc= -1.76! C(o=-5!,f=-0.55!) USER MOD Set 2.1: A 8 TYR OH : rot -91:sc= 0.48 USER MOD Set 2.2: A 40 TYR OH : rot 165:sc= 0.433 USER MOD Set 3.1: A 14 GLN :FLIP amide:sc= -4.32! C(o=-7.4!,f=-6.4!) USER MOD Set 3.2: A 37 TYR OH : rot -45:sc= -2.12! USER MOD Set 4.1: A 7 SER OG : rot 104:sc= 0.157 USER MOD Set 4.2: A 10 GLN : amide:sc= -2.61! C(o=-2.5!,f=-11!) USER MOD Single : A 1 GLU N :NH3+ -105:sc= 0.0721 (180deg=-0.419) USER MOD Single : A 2 SER OG : rot -61:sc= 0.0837 USER MOD Single : A 3 LYS NZ :NH3+ -102:sc=-0.00336 (180deg=-0.214) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -110:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0416 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -52:sc= -0.939! USER MOD Single : A 32 HIS :FLIP no HE2:sc= -10.6! C(o=-13!,f=-11!) USER MOD Single : A 34 THR OG1 : rot -87:sc= -1.46 USER MOD Single : A 35 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.196) USER MOD Single : A 36 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=-0.013) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot -68:sc= 1.16 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -7.87! C(o=-7.9!,f=-12!) USER MOD Single : A 49 ASN : amide:sc=-0.00288 X(o=-0.0029,f=-0.0029) USER MOD Single : A 53 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.31) USER MOD Single : A 56 SER OG : rot 10:sc= 0.68 USER MOD Single : A 58 ASN : amide:sc= 0.178 K(o=0.18,f=-1.2) USER MOD Single : A 60 TYR OH : rot -21:sc= -6.62! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 150:sc= -0.432 USER MOD Single : A 68 GLN : amide:sc= -0.521 K(o=-0.52,f=-3.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot -80:sc= 0.46 USER MOD Single : A 83 SER OG : rot 180:sc= -0.886 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.291 K(o=-0.29,f=-0.86) USER MOD Single : A 94 LYS NZ :NH3+ 149:sc= -0.12 (180deg=-0.677) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0382 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 16.853 12.563 -10.541 1.00 0.00 N ATOM 2 CA GLU A 1 16.450 11.714 -9.385 1.00 0.00 C ATOM 3 C GLU A 1 15.934 10.368 -9.896 1.00 0.00 C ATOM 4 O GLU A 1 15.723 10.181 -11.079 1.00 0.00 O ATOM 5 CB GLU A 1 15.344 12.419 -8.596 1.00 0.00 C ATOM 6 CG GLU A 1 14.115 12.605 -9.490 1.00 0.00 C ATOM 7 CD GLU A 1 13.780 14.093 -9.592 1.00 0.00 C ATOM 8 OE1 GLU A 1 13.530 14.696 -8.562 1.00 0.00 O ATOM 9 OE2 GLU A 1 13.778 14.607 -10.700 1.00 0.00 O ATOM 0 H1 GLU A 1 17.891 12.593 -10.605 1.00 0.00 H new ATOM 0 H2 GLU A 1 16.463 12.163 -11.418 1.00 0.00 H new ATOM 0 H3 GLU A 1 16.487 13.527 -10.408 1.00 0.00 H new ATOM 0 HA GLU A 1 17.311 11.550 -8.737 1.00 0.00 H new ATOM 0 HB2 GLU A 1 15.081 11.832 -7.716 1.00 0.00 H new ATOM 0 HB3 GLU A 1 15.697 13.387 -8.240 1.00 0.00 H new ATOM 0 HG2 GLU A 1 14.308 12.196 -10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 1 13.267 12.058 -9.079 1.00 0.00 H new ATOM 18 N SER A 2 15.727 9.427 -9.016 1.00 0.00 N ATOM 19 CA SER A 2 15.224 8.095 -9.451 1.00 0.00 C ATOM 20 C SER A 2 14.556 7.391 -8.270 1.00 0.00 C ATOM 21 O SER A 2 14.755 6.214 -8.043 1.00 0.00 O ATOM 22 CB SER A 2 16.392 7.246 -9.955 1.00 0.00 C ATOM 23 OG SER A 2 15.885 6.145 -10.699 1.00 0.00 O ATOM 0 H SER A 2 15.885 9.524 -8.013 1.00 0.00 H new ATOM 0 HA SER A 2 14.498 8.227 -10.254 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.052 7.849 -10.579 1.00 0.00 H new ATOM 0 HB3 SER A 2 16.987 6.889 -9.114 1.00 0.00 H new ATOM 0 HG SER A 2 15.317 5.593 -10.121 1.00 0.00 H new ATOM 29 N LYS A 3 13.767 8.101 -7.512 1.00 0.00 N ATOM 30 CA LYS A 3 13.094 7.467 -6.348 1.00 0.00 C ATOM 31 C LYS A 3 11.861 6.669 -6.808 1.00 0.00 C ATOM 32 O LYS A 3 11.696 5.532 -6.419 1.00 0.00 O ATOM 33 CB LYS A 3 12.707 8.547 -5.320 1.00 0.00 C ATOM 34 CG LYS A 3 11.509 8.087 -4.481 1.00 0.00 C ATOM 35 CD LYS A 3 11.180 9.152 -3.435 1.00 0.00 C ATOM 36 CE LYS A 3 10.098 10.085 -3.981 1.00 0.00 C ATOM 37 NZ LYS A 3 10.732 11.326 -4.506 1.00 0.00 N ATOM 0 H LYS A 3 13.561 9.090 -7.649 1.00 0.00 H new ATOM 0 HA LYS A 3 13.782 6.768 -5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.555 8.757 -4.668 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.462 9.476 -5.835 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.646 7.915 -5.124 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.736 7.140 -3.992 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.837 8.679 -2.515 1.00 0.00 H new ATOM 0 HD3 LYS A 3 12.075 9.722 -3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 3 9.539 9.587 -4.773 1.00 0.00 H new ATOM 0 HE3 LYS A 3 9.385 10.333 -3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 10.612 12.095 -3.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 11.746 11.158 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.281 11.593 -5.404 1.00 0.00 H new ATOM 51 N PRO A 4 11.038 7.286 -7.613 1.00 0.00 N ATOM 52 CA PRO A 4 9.811 6.659 -8.141 1.00 0.00 C ATOM 53 C PRO A 4 10.139 5.749 -9.335 1.00 0.00 C ATOM 54 O PRO A 4 10.485 6.230 -10.396 1.00 0.00 O ATOM 55 CB PRO A 4 8.973 7.855 -8.601 1.00 0.00 C ATOM 56 CG PRO A 4 9.968 9.015 -8.844 1.00 0.00 C ATOM 57 CD PRO A 4 11.251 8.666 -8.068 1.00 0.00 C ATOM 0 HA PRO A 4 9.303 6.033 -7.407 1.00 0.00 H new ATOM 0 HB2 PRO A 4 8.423 7.617 -9.512 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.236 8.127 -7.845 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.178 9.129 -9.908 1.00 0.00 H new ATOM 0 HG3 PRO A 4 9.552 9.961 -8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.133 8.743 -8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 4 11.403 9.343 -7.227 1.00 0.00 H new ATOM 65 N PRO A 5 10.018 4.462 -9.129 1.00 0.00 N ATOM 66 CA PRO A 5 10.293 3.466 -10.176 1.00 0.00 C ATOM 67 C PRO A 5 9.079 3.328 -11.099 1.00 0.00 C ATOM 68 O PRO A 5 9.192 2.916 -12.236 1.00 0.00 O ATOM 69 CB PRO A 5 10.518 2.173 -9.388 1.00 0.00 C ATOM 70 CG PRO A 5 9.803 2.361 -8.029 1.00 0.00 C ATOM 71 CD PRO A 5 9.602 3.877 -7.839 1.00 0.00 C ATOM 0 HA PRO A 5 11.140 3.728 -10.810 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.113 1.315 -9.925 1.00 0.00 H new ATOM 0 HB3 PRO A 5 11.582 1.986 -9.245 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.846 1.840 -8.020 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.400 1.945 -7.217 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.563 4.115 -7.610 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.206 4.259 -7.016 1.00 0.00 H new ATOM 79 N TYR A 6 7.916 3.663 -10.609 1.00 0.00 N ATOM 80 CA TYR A 6 6.689 3.546 -11.445 1.00 0.00 C ATOM 81 C TYR A 6 5.666 4.592 -11.004 1.00 0.00 C ATOM 82 O TYR A 6 5.628 4.996 -9.858 1.00 0.00 O ATOM 83 CB TYR A 6 6.107 2.142 -11.286 1.00 0.00 C ATOM 84 CG TYR A 6 7.127 1.133 -11.755 1.00 0.00 C ATOM 85 CD1 TYR A 6 8.075 0.628 -10.857 1.00 0.00 C ATOM 86 CD2 TYR A 6 7.132 0.706 -13.089 1.00 0.00 C ATOM 87 CE1 TYR A 6 9.026 -0.302 -11.291 1.00 0.00 C ATOM 88 CE2 TYR A 6 8.084 -0.224 -13.524 1.00 0.00 C ATOM 89 CZ TYR A 6 9.030 -0.728 -12.624 1.00 0.00 C ATOM 90 OH TYR A 6 9.969 -1.645 -13.052 1.00 0.00 O ATOM 0 H TYR A 6 7.763 4.013 -9.663 1.00 0.00 H new ATOM 0 HA TYR A 6 6.938 3.717 -12.492 1.00 0.00 H new ATOM 0 HB2 TYR A 6 5.847 1.958 -10.244 1.00 0.00 H new ATOM 0 HB3 TYR A 6 5.189 2.047 -11.866 1.00 0.00 H new ATOM 0 HD1 TYR A 6 8.072 0.957 -9.828 1.00 0.00 H new ATOM 0 HD2 TYR A 6 6.401 1.094 -13.783 1.00 0.00 H new ATOM 0 HE1 TYR A 6 9.757 -0.691 -10.597 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.088 -0.552 -14.553 1.00 0.00 H new ATOM 0 HH TYR A 6 9.832 -1.834 -14.004 1.00 0.00 H new ATOM 100 N SER A 7 4.841 5.040 -11.910 1.00 0.00 N ATOM 101 CA SER A 7 3.824 6.065 -11.550 1.00 0.00 C ATOM 102 C SER A 7 3.084 5.623 -10.289 1.00 0.00 C ATOM 103 O SER A 7 2.939 4.447 -10.023 1.00 0.00 O ATOM 104 CB SER A 7 2.830 6.219 -12.700 1.00 0.00 C ATOM 105 OG SER A 7 3.471 6.867 -13.792 1.00 0.00 O ATOM 0 H SER A 7 4.828 4.740 -12.885 1.00 0.00 H new ATOM 0 HA SER A 7 4.316 7.020 -11.366 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.460 5.242 -13.009 1.00 0.00 H new ATOM 0 HB3 SER A 7 1.966 6.799 -12.374 1.00 0.00 H new ATOM 0 HG SER A 7 3.689 6.206 -14.482 1.00 0.00 H new ATOM 111 N TYR A 8 2.614 6.557 -9.508 1.00 0.00 N ATOM 112 CA TYR A 8 1.886 6.186 -8.264 1.00 0.00 C ATOM 113 C TYR A 8 0.484 5.703 -8.630 1.00 0.00 C ATOM 114 O TYR A 8 -0.516 6.251 -8.211 1.00 0.00 O ATOM 115 CB TYR A 8 1.812 7.398 -7.340 1.00 0.00 C ATOM 116 CG TYR A 8 3.170 7.609 -6.713 1.00 0.00 C ATOM 117 CD1 TYR A 8 4.287 7.842 -7.527 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.315 7.569 -5.322 1.00 0.00 C ATOM 119 CE1 TYR A 8 5.545 8.035 -6.949 1.00 0.00 C ATOM 120 CE2 TYR A 8 4.574 7.763 -4.745 1.00 0.00 C ATOM 121 CZ TYR A 8 5.689 7.996 -5.558 1.00 0.00 C ATOM 122 OH TYR A 8 6.932 8.186 -4.989 1.00 0.00 O ATOM 0 H TYR A 8 2.703 7.559 -9.678 1.00 0.00 H new ATOM 0 HA TYR A 8 2.412 5.384 -7.746 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.512 8.283 -7.901 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.059 7.240 -6.568 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.176 7.872 -8.601 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.455 7.388 -4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 8 6.406 8.214 -7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 8 4.686 7.733 -3.671 1.00 0.00 H new ATOM 0 HH TYR A 8 7.377 7.320 -4.878 1.00 0.00 H new ATOM 132 N ALA A 9 0.425 4.669 -9.415 1.00 0.00 N ATOM 133 CA ALA A 9 -0.877 4.095 -9.847 1.00 0.00 C ATOM 134 C ALA A 9 -0.571 2.848 -10.672 1.00 0.00 C ATOM 135 O ALA A 9 -1.235 1.836 -10.572 1.00 0.00 O ATOM 136 CB ALA A 9 -1.640 5.113 -10.693 1.00 0.00 C ATOM 0 H ALA A 9 1.244 4.186 -9.785 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.495 3.843 -8.985 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.593 4.685 -11.006 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.822 6.012 -10.104 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.051 5.369 -11.574 1.00 0.00 H new ATOM 142 N GLN A 10 0.476 2.908 -11.449 1.00 0.00 N ATOM 143 CA GLN A 10 0.897 1.727 -12.245 1.00 0.00 C ATOM 144 C GLN A 10 1.825 0.922 -11.342 1.00 0.00 C ATOM 145 O GLN A 10 1.931 -0.285 -11.434 1.00 0.00 O ATOM 146 CB GLN A 10 1.641 2.184 -13.510 1.00 0.00 C ATOM 147 CG GLN A 10 3.057 2.639 -13.152 1.00 0.00 C ATOM 148 CD GLN A 10 3.738 3.210 -14.397 1.00 0.00 C ATOM 149 OE1 GLN A 10 3.496 4.341 -14.773 1.00 0.00 O ATOM 150 NE2 GLN A 10 4.586 2.471 -15.060 1.00 0.00 N ATOM 0 H GLN A 10 1.062 3.735 -11.565 1.00 0.00 H new ATOM 0 HA GLN A 10 0.043 1.131 -12.567 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.684 1.367 -14.231 1.00 0.00 H new ATOM 0 HB3 GLN A 10 1.098 3.000 -13.986 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.020 3.393 -12.366 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.633 1.800 -12.762 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.790 1.522 -14.746 1.00 0.00 H new ATOM 0 HE22 GLN A 10 5.044 2.842 -15.892 1.00 0.00 H new ATOM 159 N LEU A 11 2.464 1.612 -10.436 1.00 0.00 N ATOM 160 CA LEU A 11 3.362 0.954 -9.461 1.00 0.00 C ATOM 161 C LEU A 11 2.508 0.017 -8.618 1.00 0.00 C ATOM 162 O LEU A 11 2.886 -1.094 -8.302 1.00 0.00 O ATOM 163 CB LEU A 11 3.970 2.040 -8.575 1.00 0.00 C ATOM 164 CG LEU A 11 4.879 1.416 -7.525 1.00 0.00 C ATOM 165 CD1 LEU A 11 6.324 1.535 -7.990 1.00 0.00 C ATOM 166 CD2 LEU A 11 4.712 2.169 -6.208 1.00 0.00 C ATOM 0 H LEU A 11 2.396 2.625 -10.334 1.00 0.00 H new ATOM 0 HA LEU A 11 4.159 0.395 -9.952 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.537 2.742 -9.186 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.177 2.608 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 11 4.620 0.367 -7.384 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.984 1.091 -7.245 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.445 1.013 -8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.579 2.587 -8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.360 1.727 -5.451 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.982 3.215 -6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.675 2.103 -5.880 1.00 0.00 H new ATOM 178 N ILE A 12 1.335 0.470 -8.275 1.00 0.00 N ATOM 179 CA ILE A 12 0.398 -0.365 -7.471 1.00 0.00 C ATOM 180 C ILE A 12 -0.049 -1.551 -8.320 1.00 0.00 C ATOM 181 O ILE A 12 0.003 -2.689 -7.898 1.00 0.00 O ATOM 182 CB ILE A 12 -0.826 0.466 -7.094 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.394 1.866 -6.635 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.590 -0.234 -5.973 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.683 1.753 -5.555 1.00 0.00 C ATOM 0 H ILE A 12 0.981 1.395 -8.520 1.00 0.00 H new ATOM 0 HA ILE A 12 0.895 -0.714 -6.566 1.00 0.00 H new ATOM 0 HB ILE A 12 -1.472 0.567 -7.966 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.012 2.434 -7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.254 2.412 -6.247 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.464 0.359 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.910 -1.220 -6.311 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.942 -0.342 -5.103 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.984 2.751 -5.235 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.286 1.203 -4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.548 1.225 -5.957 1.00 0.00 H new ATOM 197 N VAL A 13 -0.486 -1.288 -9.520 1.00 0.00 N ATOM 198 CA VAL A 13 -0.937 -2.392 -10.406 1.00 0.00 C ATOM 199 C VAL A 13 0.146 -3.463 -10.453 1.00 0.00 C ATOM 200 O VAL A 13 -0.099 -4.612 -10.153 1.00 0.00 O ATOM 201 CB VAL A 13 -1.180 -1.833 -11.799 1.00 0.00 C ATOM 202 CG1 VAL A 13 -1.369 -2.976 -12.797 1.00 0.00 C ATOM 203 CG2 VAL A 13 -2.436 -0.970 -11.753 1.00 0.00 C ATOM 0 H VAL A 13 -0.550 -0.354 -9.924 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.859 -2.832 -10.027 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.325 -1.237 -12.118 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.542 -2.566 -13.792 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.474 -3.598 -12.812 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.226 -3.581 -12.500 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.630 -0.557 -12.743 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.284 -1.579 -11.440 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.292 -0.156 -11.043 1.00 0.00 H new ATOM 213 N GLN A 14 1.351 -3.108 -10.791 1.00 0.00 N ATOM 214 CA GLN A 14 2.416 -4.141 -10.797 1.00 0.00 C ATOM 215 C GLN A 14 2.445 -4.742 -9.396 1.00 0.00 C ATOM 216 O GLN A 14 2.778 -5.891 -9.194 1.00 0.00 O ATOM 217 CB GLN A 14 3.766 -3.500 -11.115 1.00 0.00 C ATOM 218 CG GLN A 14 3.841 -3.179 -12.609 1.00 0.00 C ATOM 219 CD GLN A 14 5.067 -2.308 -12.876 1.00 0.00 C ATOM 220 OE1 GLN A 14 6.085 -2.380 -12.066 1.00 0.00 O flip ATOM 221 NE2 GLN A 14 5.099 -1.556 -13.828 1.00 0.00 N flip ATOM 0 H GLN A 14 1.640 -2.167 -11.058 1.00 0.00 H new ATOM 0 HA GLN A 14 2.221 -4.903 -11.552 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.895 -2.589 -10.530 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.575 -4.175 -10.836 1.00 0.00 H new ATOM 0 HG2 GLN A 14 3.902 -4.100 -13.188 1.00 0.00 H new ATOM 0 HG3 GLN A 14 2.936 -2.661 -12.928 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.301 -1.501 -14.461 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.924 -0.979 -13.995 1.00 0.00 H new ATOM 230 N ALA A 15 2.073 -3.952 -8.425 1.00 0.00 N ATOM 231 CA ALA A 15 2.040 -4.434 -7.019 1.00 0.00 C ATOM 232 C ALA A 15 0.888 -5.425 -6.843 1.00 0.00 C ATOM 233 O ALA A 15 1.076 -6.548 -6.425 1.00 0.00 O ATOM 234 CB ALA A 15 1.816 -3.240 -6.087 1.00 0.00 C ATOM 0 H ALA A 15 1.787 -2.981 -8.551 1.00 0.00 H new ATOM 0 HA ALA A 15 2.984 -4.925 -6.780 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.790 -3.585 -5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.629 -2.524 -6.211 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.869 -2.759 -6.333 1.00 0.00 H new ATOM 240 N ILE A 16 -0.309 -5.006 -7.147 1.00 0.00 N ATOM 241 CA ILE A 16 -1.485 -5.917 -6.982 1.00 0.00 C ATOM 242 C ILE A 16 -1.682 -6.771 -8.238 1.00 0.00 C ATOM 243 O ILE A 16 -1.773 -7.980 -8.170 1.00 0.00 O ATOM 244 CB ILE A 16 -2.775 -5.119 -6.701 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.538 -3.607 -6.838 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.238 -5.420 -5.277 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.707 -2.840 -6.216 1.00 0.00 C ATOM 0 H ILE A 16 -0.527 -4.075 -7.502 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.281 -6.565 -6.129 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.531 -5.416 -7.428 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.606 -3.330 -6.345 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.434 -3.340 -7.890 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.150 -4.862 -5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.434 -6.487 -5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.461 -5.126 -4.572 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.534 -1.769 -6.316 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.631 -3.107 -6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.790 -3.097 -5.160 1.00 0.00 H new ATOM 259 N SER A 17 -1.764 -6.152 -9.381 1.00 0.00 N ATOM 260 CA SER A 17 -1.976 -6.926 -10.642 1.00 0.00 C ATOM 261 C SER A 17 -0.906 -8.011 -10.789 1.00 0.00 C ATOM 262 O SER A 17 -1.182 -9.106 -11.238 1.00 0.00 O ATOM 263 CB SER A 17 -1.892 -5.983 -11.845 1.00 0.00 C ATOM 264 OG SER A 17 -2.681 -6.506 -12.905 1.00 0.00 O ATOM 0 H SER A 17 -1.694 -5.141 -9.500 1.00 0.00 H new ATOM 0 HA SER A 17 -2.960 -7.393 -10.600 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.245 -4.990 -11.569 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.856 -5.875 -12.166 1.00 0.00 H new ATOM 0 HG SER A 17 -2.095 -6.817 -13.626 1.00 0.00 H new ATOM 270 N SER A 18 0.313 -7.718 -10.434 1.00 0.00 N ATOM 271 CA SER A 18 1.393 -8.739 -10.579 1.00 0.00 C ATOM 272 C SER A 18 1.312 -9.762 -9.444 1.00 0.00 C ATOM 273 O SER A 18 2.026 -10.746 -9.437 1.00 0.00 O ATOM 274 CB SER A 18 2.756 -8.051 -10.547 1.00 0.00 C ATOM 275 OG SER A 18 3.692 -8.824 -11.288 1.00 0.00 O ATOM 0 H SER A 18 0.610 -6.820 -10.051 1.00 0.00 H new ATOM 0 HA SER A 18 1.264 -9.254 -11.531 1.00 0.00 H new ATOM 0 HB2 SER A 18 2.680 -7.049 -10.969 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.095 -7.938 -9.517 1.00 0.00 H new ATOM 0 HG SER A 18 4.567 -8.383 -11.270 1.00 0.00 H new ATOM 281 N ALA A 19 0.450 -9.553 -8.487 1.00 0.00 N ATOM 282 CA ALA A 19 0.337 -10.534 -7.371 1.00 0.00 C ATOM 283 C ALA A 19 -0.721 -11.577 -7.732 1.00 0.00 C ATOM 284 O ALA A 19 -1.622 -11.307 -8.500 1.00 0.00 O ATOM 285 CB ALA A 19 -0.079 -9.809 -6.089 1.00 0.00 C ATOM 0 H ALA A 19 -0.177 -8.751 -8.429 1.00 0.00 H new ATOM 0 HA ALA A 19 1.299 -11.021 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.161 -10.529 -5.274 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.670 -9.058 -5.836 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.043 -9.323 -6.242 1.00 0.00 H new ATOM 291 N GLN A 20 -0.623 -12.764 -7.187 1.00 0.00 N ATOM 292 CA GLN A 20 -1.638 -13.814 -7.506 1.00 0.00 C ATOM 293 C GLN A 20 -3.024 -13.170 -7.522 1.00 0.00 C ATOM 294 O GLN A 20 -3.633 -13.008 -8.561 1.00 0.00 O ATOM 295 CB GLN A 20 -1.601 -14.928 -6.452 1.00 0.00 C ATOM 296 CG GLN A 20 -1.029 -14.389 -5.137 1.00 0.00 C ATOM 297 CD GLN A 20 -1.642 -15.154 -3.963 1.00 0.00 C ATOM 298 OE1 GLN A 20 -1.539 -16.361 -3.889 1.00 0.00 O ATOM 299 NE2 GLN A 20 -2.279 -14.495 -3.033 1.00 0.00 N ATOM 0 H GLN A 20 0.111 -13.050 -6.539 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.415 -14.249 -8.480 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -2.606 -15.318 -6.288 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -0.992 -15.758 -6.810 1.00 0.00 H new ATOM 0 HG2 GLN A 20 0.056 -14.497 -5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.244 -13.325 -5.044 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.366 -13.481 -3.095 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.690 -14.995 -2.244 1.00 0.00 H new ATOM 308 N ASP A 21 -3.517 -12.778 -6.380 1.00 0.00 N ATOM 309 CA ASP A 21 -4.849 -12.118 -6.335 1.00 0.00 C ATOM 310 C ASP A 21 -4.653 -10.614 -6.557 1.00 0.00 C ATOM 311 O ASP A 21 -3.915 -9.972 -5.837 1.00 0.00 O ATOM 312 CB ASP A 21 -5.492 -12.353 -4.966 1.00 0.00 C ATOM 313 CG ASP A 21 -6.475 -13.523 -5.054 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.361 -14.298 -5.988 1.00 0.00 O ATOM 315 OD2 ASP A 21 -7.325 -13.623 -4.185 1.00 0.00 O ATOM 0 H ASP A 21 -3.055 -12.887 -5.477 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.497 -12.530 -7.108 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -4.723 -12.566 -4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.011 -11.453 -4.638 1.00 0.00 H new ATOM 320 N ARG A 22 -5.290 -10.044 -7.548 1.00 0.00 N ATOM 321 CA ARG A 22 -5.117 -8.584 -7.804 1.00 0.00 C ATOM 322 C ARG A 22 -5.723 -7.781 -6.649 1.00 0.00 C ATOM 323 O ARG A 22 -6.611 -6.974 -6.840 1.00 0.00 O ATOM 324 CB ARG A 22 -5.818 -8.208 -9.111 1.00 0.00 C ATOM 325 CG ARG A 22 -4.985 -8.698 -10.296 1.00 0.00 C ATOM 326 CD ARG A 22 -5.589 -9.991 -10.848 1.00 0.00 C ATOM 327 NE ARG A 22 -6.813 -9.671 -11.637 1.00 0.00 N ATOM 328 CZ ARG A 22 -7.885 -10.404 -11.506 1.00 0.00 C ATOM 329 NH1 ARG A 22 -8.670 -10.234 -10.477 1.00 0.00 N ATOM 330 NH2 ARG A 22 -8.174 -11.304 -12.405 1.00 0.00 N ATOM 0 H ARG A 22 -5.921 -10.526 -8.189 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.054 -8.356 -7.882 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.813 -8.653 -9.143 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -5.950 -7.127 -9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.958 -7.936 -11.075 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.955 -8.870 -9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -4.862 -10.505 -11.477 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.837 -10.667 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.813 -8.879 -12.280 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -8.446 -9.528 -9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -9.508 -10.807 -10.375 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.562 -11.435 -13.211 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.012 -11.877 -12.302 1.00 0.00 H new ATOM 344 N GLN A 23 -5.242 -7.995 -5.456 1.00 0.00 N ATOM 345 CA GLN A 23 -5.775 -7.254 -4.281 1.00 0.00 C ATOM 346 C GLN A 23 -4.750 -7.323 -3.150 1.00 0.00 C ATOM 347 O GLN A 23 -4.482 -8.375 -2.608 1.00 0.00 O ATOM 348 CB GLN A 23 -7.084 -7.898 -3.822 1.00 0.00 C ATOM 349 CG GLN A 23 -6.935 -9.421 -3.836 1.00 0.00 C ATOM 350 CD GLN A 23 -8.072 -10.051 -3.030 1.00 0.00 C ATOM 351 OE1 GLN A 23 -9.231 -9.874 -3.352 1.00 0.00 O ATOM 352 NE2 GLN A 23 -7.790 -10.784 -1.987 1.00 0.00 N ATOM 0 H GLN A 23 -4.496 -8.658 -5.244 1.00 0.00 H new ATOM 0 HA GLN A 23 -5.962 -6.215 -4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -7.338 -7.556 -2.819 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.900 -7.596 -4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.954 -9.790 -4.862 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -5.972 -9.707 -3.412 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.818 -10.933 -1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -8.542 -11.208 -1.443 1.00 0.00 H new ATOM 361 N LEU A 24 -4.167 -6.212 -2.797 1.00 0.00 N ATOM 362 CA LEU A 24 -3.152 -6.216 -1.710 1.00 0.00 C ATOM 363 C LEU A 24 -3.667 -5.393 -0.532 1.00 0.00 C ATOM 364 O LEU A 24 -4.510 -4.536 -0.688 1.00 0.00 O ATOM 365 CB LEU A 24 -1.863 -5.583 -2.229 1.00 0.00 C ATOM 366 CG LEU A 24 -1.145 -6.558 -3.161 1.00 0.00 C ATOM 367 CD1 LEU A 24 -0.086 -5.802 -3.963 1.00 0.00 C ATOM 368 CD2 LEU A 24 -0.474 -7.653 -2.329 1.00 0.00 C ATOM 0 H LEU A 24 -4.351 -5.300 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.964 -7.241 -1.390 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.089 -4.658 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.214 -5.320 -1.393 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.863 -7.011 -3.844 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.429 -6.494 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.565 -5.020 -4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.635 -5.352 -3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.039 -8.350 -2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.247 -7.202 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.230 -8.188 -1.754 1.00 0.00 H new ATOM 380 N THR A 25 -3.152 -5.627 0.642 1.00 0.00 N ATOM 381 CA THR A 25 -3.608 -4.834 1.814 1.00 0.00 C ATOM 382 C THR A 25 -2.910 -3.475 1.771 1.00 0.00 C ATOM 383 O THR A 25 -2.002 -3.265 0.992 1.00 0.00 O ATOM 384 CB THR A 25 -3.233 -5.562 3.108 1.00 0.00 C ATOM 385 OG1 THR A 25 -1.919 -6.090 2.990 1.00 0.00 O ATOM 386 CG2 THR A 25 -4.222 -6.700 3.363 1.00 0.00 C ATOM 0 H THR A 25 -2.439 -6.329 0.839 1.00 0.00 H new ATOM 0 HA THR A 25 -4.690 -4.706 1.783 1.00 0.00 H new ATOM 0 HB THR A 25 -3.269 -4.861 3.942 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.678 -6.555 3.818 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.953 -7.216 4.284 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.229 -6.293 3.456 1.00 0.00 H new ATOM 0 HG23 THR A 25 -4.190 -7.403 2.531 1.00 0.00 H new ATOM 394 N LEU A 26 -3.317 -2.548 2.589 1.00 0.00 N ATOM 395 CA LEU A 26 -2.650 -1.216 2.560 1.00 0.00 C ATOM 396 C LEU A 26 -1.138 -1.424 2.641 1.00 0.00 C ATOM 397 O LEU A 26 -0.371 -0.739 1.995 1.00 0.00 O ATOM 398 CB LEU A 26 -3.118 -0.353 3.736 1.00 0.00 C ATOM 399 CG LEU A 26 -3.258 1.095 3.268 1.00 0.00 C ATOM 400 CD1 LEU A 26 -4.197 1.847 4.212 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.883 1.767 3.272 1.00 0.00 C ATOM 0 H LEU A 26 -4.071 -2.650 3.268 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.910 -0.702 1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.072 -0.720 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.403 -0.416 4.557 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.668 1.113 2.258 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.297 2.880 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.176 1.368 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.788 1.830 5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.982 2.800 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.472 1.750 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.214 1.231 2.599 1.00 0.00 H new ATOM 413 N SER A 27 -0.703 -2.376 3.421 1.00 0.00 N ATOM 414 CA SER A 27 0.757 -2.637 3.527 1.00 0.00 C ATOM 415 C SER A 27 1.122 -3.816 2.625 1.00 0.00 C ATOM 416 O SER A 27 2.068 -4.537 2.876 1.00 0.00 O ATOM 417 CB SER A 27 1.120 -2.970 4.973 1.00 0.00 C ATOM 418 OG SER A 27 1.791 -1.860 5.557 1.00 0.00 O ATOM 0 H SER A 27 -1.296 -2.982 3.988 1.00 0.00 H new ATOM 0 HA SER A 27 1.308 -1.750 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.220 -3.205 5.541 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.758 -3.853 5.006 1.00 0.00 H new ATOM 0 HG SER A 27 2.024 -2.070 6.486 1.00 0.00 H new ATOM 424 N GLY A 28 0.388 -4.005 1.564 1.00 0.00 N ATOM 425 CA GLY A 28 0.697 -5.117 0.628 1.00 0.00 C ATOM 426 C GLY A 28 1.416 -4.509 -0.558 1.00 0.00 C ATOM 427 O GLY A 28 2.413 -5.008 -1.040 1.00 0.00 O ATOM 0 H GLY A 28 -0.416 -3.433 1.305 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.320 -5.868 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.217 -5.619 0.310 1.00 0.00 H new ATOM 431 N ILE A 29 0.904 -3.404 -1.009 1.00 0.00 N ATOM 432 CA ILE A 29 1.515 -2.691 -2.146 1.00 0.00 C ATOM 433 C ILE A 29 2.981 -2.411 -1.818 1.00 0.00 C ATOM 434 O ILE A 29 3.862 -2.595 -2.636 1.00 0.00 O ATOM 435 CB ILE A 29 0.749 -1.384 -2.348 1.00 0.00 C ATOM 436 CG1 ILE A 29 1.109 -0.777 -3.703 1.00 0.00 C ATOM 437 CG2 ILE A 29 1.095 -0.405 -1.227 1.00 0.00 C ATOM 438 CD1 ILE A 29 2.468 -0.089 -3.614 1.00 0.00 C ATOM 0 H ILE A 29 0.070 -2.959 -0.626 1.00 0.00 H new ATOM 0 HA ILE A 29 1.468 -3.285 -3.059 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.322 -1.587 -2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.134 -1.555 -4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.346 -0.059 -4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.547 0.526 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.820 -0.840 -0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 29 2.166 -0.201 -1.239 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.721 0.343 -4.582 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.428 0.701 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.227 -0.818 -3.332 1.00 0.00 H new ATOM 450 N TYR A 30 3.248 -1.976 -0.620 1.00 0.00 N ATOM 451 CA TYR A 30 4.655 -1.684 -0.227 1.00 0.00 C ATOM 452 C TYR A 30 5.462 -2.982 -0.152 1.00 0.00 C ATOM 453 O TYR A 30 6.511 -3.106 -0.752 1.00 0.00 O ATOM 454 CB TYR A 30 4.667 -0.988 1.134 1.00 0.00 C ATOM 455 CG TYR A 30 3.592 0.067 1.143 1.00 0.00 C ATOM 456 CD1 TYR A 30 3.544 1.014 0.118 1.00 0.00 C ATOM 457 CD2 TYR A 30 2.630 0.080 2.154 1.00 0.00 C ATOM 458 CE1 TYR A 30 2.532 1.978 0.102 1.00 0.00 C ATOM 459 CE2 TYR A 30 1.618 1.046 2.142 1.00 0.00 C ATOM 460 CZ TYR A 30 1.566 1.994 1.115 1.00 0.00 C ATOM 461 OH TYR A 30 0.566 2.944 1.100 1.00 0.00 O ATOM 0 H TYR A 30 2.552 -1.809 0.106 1.00 0.00 H new ATOM 0 HA TYR A 30 5.108 -1.032 -0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 30 4.494 -1.712 1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 30 5.642 -0.537 1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.290 1.002 -0.663 1.00 0.00 H new ATOM 0 HD2 TYR A 30 2.667 -0.655 2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 30 2.495 2.710 -0.691 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.876 1.060 2.927 1.00 0.00 H new ATOM 0 HH TYR A 30 0.963 3.835 1.005 1.00 0.00 H new ATOM 471 N ALA A 31 4.987 -3.945 0.584 1.00 0.00 N ATOM 472 CA ALA A 31 5.734 -5.231 0.703 1.00 0.00 C ATOM 473 C ALA A 31 5.777 -5.945 -0.653 1.00 0.00 C ATOM 474 O ALA A 31 6.658 -6.742 -0.913 1.00 0.00 O ATOM 475 CB ALA A 31 5.035 -6.130 1.724 1.00 0.00 C ATOM 0 H ALA A 31 4.114 -3.900 1.109 1.00 0.00 H new ATOM 0 HA ALA A 31 6.753 -5.021 1.028 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.579 -7.071 1.813 1.00 0.00 H new ATOM 0 HB2 ALA A 31 5.012 -5.631 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.015 -6.330 1.395 1.00 0.00 H new ATOM 481 N HIS A 32 4.835 -5.681 -1.516 1.00 0.00 N ATOM 482 CA HIS A 32 4.830 -6.363 -2.842 1.00 0.00 C ATOM 483 C HIS A 32 5.868 -5.724 -3.771 1.00 0.00 C ATOM 484 O HIS A 32 6.828 -6.350 -4.170 1.00 0.00 O ATOM 485 CB HIS A 32 3.443 -6.236 -3.472 1.00 0.00 C ATOM 486 CG HIS A 32 3.428 -6.957 -4.791 1.00 0.00 C ATOM 487 ND1 HIS A 32 4.180 -6.802 -5.929 1.00 0.00 N flip ATOM 488 CD2 HIS A 32 2.553 -8.000 -5.055 1.00 0.00 C flip ATOM 489 CE1 HIS A 32 3.782 -7.733 -6.884 1.00 0.00 C flip ATOM 490 NE2 HIS A 32 2.799 -8.429 -6.306 1.00 0.00 N flip ATOM 0 H HIS A 32 4.070 -5.024 -1.361 1.00 0.00 H new ATOM 0 HA HIS A 32 5.079 -7.415 -2.700 1.00 0.00 H new ATOM 0 HB2 HIS A 32 2.689 -6.656 -2.806 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.191 -5.185 -3.616 1.00 0.00 H new ATOM 0 HD1 HIS A 32 4.918 -6.110 -6.055 1.00 0.00 H new ATOM 0 HD2 HIS A 32 1.809 -8.396 -4.379 1.00 0.00 H new ATOM 0 HE1 HIS A 32 4.182 -7.865 -7.879 1.00 0.00 H new ATOM 498 N ILE A 33 5.666 -4.487 -4.126 1.00 0.00 N ATOM 499 CA ILE A 33 6.617 -3.797 -5.045 1.00 0.00 C ATOM 500 C ILE A 33 8.044 -3.873 -4.501 1.00 0.00 C ATOM 501 O ILE A 33 9.003 -3.908 -5.246 1.00 0.00 O ATOM 502 CB ILE A 33 6.221 -2.331 -5.155 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.260 -1.692 -3.768 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.811 -2.217 -5.738 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.624 -1.035 -3.559 1.00 0.00 C ATOM 0 H ILE A 33 4.877 -3.919 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 33 6.578 -4.285 -6.019 1.00 0.00 H new ATOM 0 HB ILE A 33 6.920 -1.815 -5.813 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.467 -0.950 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.084 -2.446 -3.001 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.533 -1.166 -5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.789 -2.671 -6.729 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.105 -2.733 -5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.659 -0.577 -2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.407 -1.789 -3.637 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.780 -0.270 -4.320 1.00 0.00 H new ATOM 517 N THR A 34 8.190 -3.874 -3.212 1.00 0.00 N ATOM 518 CA THR A 34 9.555 -3.918 -2.611 1.00 0.00 C ATOM 519 C THR A 34 10.317 -5.147 -3.118 1.00 0.00 C ATOM 520 O THR A 34 11.531 -5.170 -3.123 1.00 0.00 O ATOM 521 CB THR A 34 9.435 -3.994 -1.086 1.00 0.00 C ATOM 522 OG1 THR A 34 8.334 -4.820 -0.740 1.00 0.00 O ATOM 523 CG2 THR A 34 9.221 -2.592 -0.512 1.00 0.00 C ATOM 0 H THR A 34 7.422 -3.846 -2.541 1.00 0.00 H new ATOM 0 HA THR A 34 10.098 -3.018 -2.898 1.00 0.00 H new ATOM 0 HB THR A 34 10.352 -4.415 -0.673 1.00 0.00 H new ATOM 0 HG1 THR A 34 7.516 -4.281 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.136 -2.652 0.573 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.068 -1.958 -0.775 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.306 -2.166 -0.924 1.00 0.00 H new ATOM 531 N LYS A 35 9.623 -6.166 -3.544 1.00 0.00 N ATOM 532 CA LYS A 35 10.329 -7.381 -4.046 1.00 0.00 C ATOM 533 C LYS A 35 10.662 -7.214 -5.532 1.00 0.00 C ATOM 534 O LYS A 35 11.528 -7.882 -6.061 1.00 0.00 O ATOM 535 CB LYS A 35 9.432 -8.607 -3.863 1.00 0.00 C ATOM 536 CG LYS A 35 10.076 -9.815 -4.547 1.00 0.00 C ATOM 537 CD LYS A 35 10.174 -10.973 -3.551 1.00 0.00 C ATOM 538 CE LYS A 35 11.355 -11.872 -3.925 1.00 0.00 C ATOM 539 NZ LYS A 35 11.178 -12.379 -5.315 1.00 0.00 N ATOM 0 H LYS A 35 8.604 -6.212 -3.567 1.00 0.00 H new ATOM 0 HA LYS A 35 11.252 -7.515 -3.482 1.00 0.00 H new ATOM 0 HB2 LYS A 35 9.287 -8.810 -2.802 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.447 -8.417 -4.288 1.00 0.00 H new ATOM 0 HG2 LYS A 35 9.485 -10.115 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.068 -9.552 -4.914 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.304 -10.587 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.249 -11.550 -3.556 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.288 -11.314 -3.847 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.424 -12.708 -3.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.839 -13.163 -5.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.202 -12.716 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.369 -11.612 -5.991 1.00 0.00 H new ATOM 553 N HIS A 36 9.976 -6.339 -6.216 1.00 0.00 N ATOM 554 CA HIS A 36 10.253 -6.152 -7.669 1.00 0.00 C ATOM 555 C HIS A 36 11.196 -4.964 -7.880 1.00 0.00 C ATOM 556 O HIS A 36 12.220 -5.082 -8.523 1.00 0.00 O ATOM 557 CB HIS A 36 8.936 -5.895 -8.405 1.00 0.00 C ATOM 558 CG HIS A 36 8.164 -7.181 -8.512 1.00 0.00 C ATOM 559 ND1 HIS A 36 7.862 -7.762 -9.733 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.630 -8.012 -7.558 1.00 0.00 C ATOM 561 CE1 HIS A 36 7.176 -8.894 -9.485 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.006 -9.093 -8.175 1.00 0.00 N ATOM 0 H HIS A 36 9.238 -5.748 -5.833 1.00 0.00 H new ATOM 0 HA HIS A 36 10.727 -7.052 -8.061 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.348 -5.148 -7.871 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.134 -5.493 -9.399 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.686 -7.851 -6.491 1.00 0.00 H new ATOM 0 HE1 HIS A 36 6.808 -9.560 -10.252 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.523 -9.870 -7.724 1.00 0.00 H new ATOM 570 N TYR A 37 10.857 -3.821 -7.354 1.00 0.00 N ATOM 571 CA TYR A 37 11.733 -2.628 -7.537 1.00 0.00 C ATOM 572 C TYR A 37 12.829 -2.626 -6.463 1.00 0.00 C ATOM 573 O TYR A 37 12.556 -2.876 -5.305 1.00 0.00 O ATOM 574 CB TYR A 37 10.884 -1.358 -7.420 1.00 0.00 C ATOM 575 CG TYR A 37 9.522 -1.610 -8.020 1.00 0.00 C ATOM 576 CD1 TYR A 37 9.392 -2.465 -9.121 1.00 0.00 C ATOM 577 CD2 TYR A 37 8.389 -0.996 -7.474 1.00 0.00 C ATOM 578 CE1 TYR A 37 8.130 -2.705 -9.676 1.00 0.00 C ATOM 579 CE2 TYR A 37 7.128 -1.238 -8.029 1.00 0.00 C ATOM 580 CZ TYR A 37 6.998 -2.091 -9.128 1.00 0.00 C ATOM 581 OH TYR A 37 5.753 -2.329 -9.672 1.00 0.00 O ATOM 0 H TYR A 37 10.012 -3.660 -6.805 1.00 0.00 H new ATOM 0 HA TYR A 37 12.201 -2.661 -8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.785 -1.068 -6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 37 11.373 -0.531 -7.935 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.266 -2.939 -9.542 1.00 0.00 H new ATOM 0 HD2 TYR A 37 8.488 -0.336 -6.625 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.030 -3.363 -10.526 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.254 -0.765 -7.607 1.00 0.00 H new ATOM 0 HH TYR A 37 5.808 -2.281 -10.649 1.00 0.00 H new ATOM 591 N PRO A 38 14.043 -2.348 -6.880 1.00 0.00 N ATOM 592 CA PRO A 38 15.206 -2.311 -5.974 1.00 0.00 C ATOM 593 C PRO A 38 15.220 -1.009 -5.169 1.00 0.00 C ATOM 594 O PRO A 38 15.611 -0.984 -4.019 1.00 0.00 O ATOM 595 CB PRO A 38 16.406 -2.376 -6.922 1.00 0.00 C ATOM 596 CG PRO A 38 15.901 -1.879 -8.297 1.00 0.00 C ATOM 597 CD PRO A 38 14.369 -2.044 -8.289 1.00 0.00 C ATOM 0 HA PRO A 38 15.201 -3.120 -5.243 1.00 0.00 H new ATOM 0 HB2 PRO A 38 17.222 -1.752 -6.559 1.00 0.00 H new ATOM 0 HB3 PRO A 38 16.790 -3.394 -6.994 1.00 0.00 H new ATOM 0 HG2 PRO A 38 16.178 -0.837 -8.458 1.00 0.00 H new ATOM 0 HG3 PRO A 38 16.349 -2.456 -9.106 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.869 -1.136 -8.626 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.052 -2.848 -8.953 1.00 0.00 H new ATOM 605 N TYR A 39 14.800 0.074 -5.763 1.00 0.00 N ATOM 606 CA TYR A 39 14.795 1.367 -5.025 1.00 0.00 C ATOM 607 C TYR A 39 13.907 1.240 -3.787 1.00 0.00 C ATOM 608 O TYR A 39 14.277 1.640 -2.702 1.00 0.00 O ATOM 609 CB TYR A 39 14.255 2.476 -5.930 1.00 0.00 C ATOM 610 CG TYR A 39 14.654 3.816 -5.363 1.00 0.00 C ATOM 611 CD1 TYR A 39 13.849 4.436 -4.402 1.00 0.00 C ATOM 612 CD2 TYR A 39 15.834 4.435 -5.795 1.00 0.00 C ATOM 613 CE1 TYR A 39 14.223 5.675 -3.870 1.00 0.00 C ATOM 614 CE2 TYR A 39 16.207 5.674 -5.264 1.00 0.00 C ATOM 615 CZ TYR A 39 15.401 6.295 -4.301 1.00 0.00 C ATOM 616 OH TYR A 39 15.770 7.516 -3.778 1.00 0.00 O ATOM 0 H TYR A 39 14.461 0.119 -6.724 1.00 0.00 H new ATOM 0 HA TYR A 39 15.812 1.615 -4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 39 14.650 2.363 -6.940 1.00 0.00 H new ATOM 0 HB3 TYR A 39 13.170 2.407 -6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 39 12.939 3.959 -4.071 1.00 0.00 H new ATOM 0 HD2 TYR A 39 16.455 3.956 -6.537 1.00 0.00 H new ATOM 0 HE1 TYR A 39 13.602 6.153 -3.127 1.00 0.00 H new ATOM 0 HE2 TYR A 39 17.117 6.152 -5.596 1.00 0.00 H new ATOM 0 HH TYR A 39 16.614 7.805 -4.185 1.00 0.00 H new ATOM 626 N TYR A 40 12.737 0.683 -3.940 1.00 0.00 N ATOM 627 CA TYR A 40 11.828 0.528 -2.770 1.00 0.00 C ATOM 628 C TYR A 40 12.192 -0.752 -2.014 1.00 0.00 C ATOM 629 O TYR A 40 11.362 -1.614 -1.800 1.00 0.00 O ATOM 630 CB TYR A 40 10.378 0.439 -3.252 1.00 0.00 C ATOM 631 CG TYR A 40 9.867 1.817 -3.603 1.00 0.00 C ATOM 632 CD1 TYR A 40 10.148 2.908 -2.769 1.00 0.00 C ATOM 633 CD2 TYR A 40 9.104 2.002 -4.762 1.00 0.00 C ATOM 634 CE1 TYR A 40 9.668 4.182 -3.098 1.00 0.00 C ATOM 635 CE2 TYR A 40 8.624 3.276 -5.090 1.00 0.00 C ATOM 636 CZ TYR A 40 8.906 4.366 -4.258 1.00 0.00 C ATOM 637 OH TYR A 40 8.434 5.621 -4.581 1.00 0.00 O ATOM 0 H TYR A 40 12.372 0.329 -4.824 1.00 0.00 H new ATOM 0 HA TYR A 40 11.936 1.389 -2.110 1.00 0.00 H new ATOM 0 HB2 TYR A 40 10.314 -0.214 -4.122 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.754 -0.003 -2.475 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.734 2.766 -1.873 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.885 1.161 -5.404 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.886 5.023 -2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.036 3.418 -5.985 1.00 0.00 H new ATOM 0 HH TYR A 40 8.138 5.629 -5.515 1.00 0.00 H new ATOM 647 N ARG A 41 13.425 -0.884 -1.612 1.00 0.00 N ATOM 648 CA ARG A 41 13.842 -2.108 -0.872 1.00 0.00 C ATOM 649 C ARG A 41 13.896 -1.807 0.625 1.00 0.00 C ATOM 650 O ARG A 41 13.073 -2.270 1.392 1.00 0.00 O ATOM 651 CB ARG A 41 15.230 -2.542 -1.349 1.00 0.00 C ATOM 652 CG ARG A 41 15.119 -3.185 -2.732 1.00 0.00 C ATOM 653 CD ARG A 41 14.677 -4.641 -2.584 1.00 0.00 C ATOM 654 NE ARG A 41 15.344 -5.469 -3.628 1.00 0.00 N ATOM 655 CZ ARG A 41 16.640 -5.615 -3.614 1.00 0.00 C ATOM 656 NH1 ARG A 41 17.210 -6.296 -2.656 1.00 0.00 N ATOM 657 NH2 ARG A 41 17.367 -5.081 -4.555 1.00 0.00 N ATOM 0 H ARG A 41 14.163 -0.197 -1.764 1.00 0.00 H new ATOM 0 HA ARG A 41 13.123 -2.906 -1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 41 15.897 -1.681 -1.390 1.00 0.00 H new ATOM 0 HB3 ARG A 41 15.664 -3.249 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 41 14.402 -2.637 -3.343 1.00 0.00 H new ATOM 0 HG3 ARG A 41 16.079 -3.136 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 41 14.934 -5.011 -1.592 1.00 0.00 H new ATOM 0 HD3 ARG A 41 13.594 -4.716 -2.682 1.00 0.00 H new ATOM 0 HE ARG A 41 14.787 -5.921 -4.353 1.00 0.00 H new ATOM 0 HH11 ARG A 41 16.642 -6.713 -1.919 1.00 0.00 H new ATOM 0 HH12 ARG A 41 18.224 -6.410 -2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 41 16.922 -4.549 -5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 41 18.380 -5.196 -4.543 1.00 0.00 H new ATOM 671 N THR A 42 14.860 -1.037 1.050 1.00 0.00 N ATOM 672 CA THR A 42 14.970 -0.711 2.500 1.00 0.00 C ATOM 673 C THR A 42 14.782 0.794 2.703 1.00 0.00 C ATOM 674 O THR A 42 15.517 1.425 3.436 1.00 0.00 O ATOM 675 CB THR A 42 16.351 -1.123 3.010 1.00 0.00 C ATOM 676 OG1 THR A 42 16.523 -0.640 4.338 1.00 0.00 O ATOM 677 CG2 THR A 42 17.429 -0.531 2.097 1.00 0.00 C ATOM 0 H THR A 42 15.576 -0.620 0.456 1.00 0.00 H new ATOM 0 HA THR A 42 14.200 -1.250 3.052 1.00 0.00 H new ATOM 0 HB THR A 42 16.437 -2.210 3.006 1.00 0.00 H new ATOM 0 HG1 THR A 42 16.570 0.339 4.327 1.00 0.00 H new ATOM 0 HG21 THR A 42 18.414 -0.824 2.460 1.00 0.00 H new ATOM 0 HG22 THR A 42 17.291 -0.903 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 42 17.350 0.556 2.099 1.00 0.00 H new ATOM 685 N ALA A 43 13.804 1.373 2.064 1.00 0.00 N ATOM 686 CA ALA A 43 13.574 2.834 2.228 1.00 0.00 C ATOM 687 C ALA A 43 12.073 3.123 2.169 1.00 0.00 C ATOM 688 O ALA A 43 11.351 2.540 1.384 1.00 0.00 O ATOM 689 CB ALA A 43 14.284 3.594 1.106 1.00 0.00 C ATOM 0 H ALA A 43 13.155 0.898 1.436 1.00 0.00 H new ATOM 0 HA ALA A 43 13.970 3.157 3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 43 14.115 4.664 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 43 15.354 3.389 1.148 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.890 3.271 0.142 1.00 0.00 H new ATOM 695 N ASP A 44 11.595 4.019 2.988 1.00 0.00 N ATOM 696 CA ASP A 44 10.142 4.343 2.972 1.00 0.00 C ATOM 697 C ASP A 44 9.966 5.851 2.800 1.00 0.00 C ATOM 698 O ASP A 44 9.693 6.567 3.743 1.00 0.00 O ATOM 699 CB ASP A 44 9.504 3.901 4.291 1.00 0.00 C ATOM 700 CG ASP A 44 10.395 4.331 5.458 1.00 0.00 C ATOM 701 OD1 ASP A 44 11.560 3.970 5.452 1.00 0.00 O ATOM 702 OD2 ASP A 44 9.896 5.013 6.338 1.00 0.00 O ATOM 0 H ASP A 44 12.149 4.541 3.668 1.00 0.00 H new ATOM 0 HA ASP A 44 9.659 3.821 2.146 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.513 4.343 4.394 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.373 2.819 4.299 1.00 0.00 H new ATOM 707 N LYS A 45 10.125 6.342 1.602 1.00 0.00 N ATOM 708 CA LYS A 45 9.971 7.804 1.371 1.00 0.00 C ATOM 709 C LYS A 45 8.540 8.229 1.711 1.00 0.00 C ATOM 710 O LYS A 45 7.931 7.709 2.624 1.00 0.00 O ATOM 711 CB LYS A 45 10.277 8.123 -0.093 1.00 0.00 C ATOM 712 CG LYS A 45 11.056 9.437 -0.174 1.00 0.00 C ATOM 713 CD LYS A 45 12.554 9.147 -0.091 1.00 0.00 C ATOM 714 CE LYS A 45 13.274 10.334 0.551 1.00 0.00 C ATOM 715 NZ LYS A 45 14.004 11.099 -0.498 1.00 0.00 N ATOM 0 H LYS A 45 10.355 5.793 0.774 1.00 0.00 H new ATOM 0 HA LYS A 45 10.666 8.350 2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.857 7.315 -0.539 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.350 8.201 -0.661 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.826 9.952 -1.107 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.757 10.100 0.638 1.00 0.00 H new ATOM 0 HD2 LYS A 45 12.728 8.244 0.494 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.954 8.962 -1.088 1.00 0.00 H new ATOM 0 HE2 LYS A 45 12.555 10.981 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.971 9.982 1.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 14.494 11.906 -0.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.701 10.479 -0.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.328 11.447 -1.208 1.00 0.00 H new ATOM 729 N GLY A 46 8.000 9.176 0.991 1.00 0.00 N ATOM 730 CA GLY A 46 6.614 9.634 1.287 1.00 0.00 C ATOM 731 C GLY A 46 5.608 8.858 0.433 1.00 0.00 C ATOM 732 O GLY A 46 4.426 9.137 0.453 1.00 0.00 O ATOM 0 H GLY A 46 8.458 9.650 0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.393 9.489 2.344 1.00 0.00 H new ATOM 0 HA3 GLY A 46 6.525 10.702 1.087 1.00 0.00 H new ATOM 736 N TRP A 47 6.055 7.885 -0.319 1.00 0.00 N ATOM 737 CA TRP A 47 5.099 7.111 -1.161 1.00 0.00 C ATOM 738 C TRP A 47 4.301 6.143 -0.285 1.00 0.00 C ATOM 739 O TRP A 47 3.490 5.379 -0.772 1.00 0.00 O ATOM 740 CB TRP A 47 5.859 6.330 -2.235 1.00 0.00 C ATOM 741 CG TRP A 47 6.559 5.156 -1.629 1.00 0.00 C ATOM 742 CD1 TRP A 47 7.593 5.230 -0.760 1.00 0.00 C ATOM 743 CD2 TRP A 47 6.305 3.735 -1.841 1.00 0.00 C ATOM 744 NE1 TRP A 47 7.999 3.949 -0.438 1.00 0.00 N ATOM 745 CE2 TRP A 47 7.236 2.996 -1.074 1.00 0.00 C ATOM 746 CE3 TRP A 47 5.369 3.019 -2.617 1.00 0.00 C ATOM 747 CZ2 TRP A 47 7.245 1.603 -1.077 1.00 0.00 C ATOM 748 CZ3 TRP A 47 5.377 1.617 -2.619 1.00 0.00 C ATOM 749 CH2 TRP A 47 6.314 0.911 -1.852 1.00 0.00 C ATOM 0 H TRP A 47 7.031 7.596 -0.385 1.00 0.00 H new ATOM 0 HA TRP A 47 4.413 7.805 -1.646 1.00 0.00 H new ATOM 0 HB2 TRP A 47 5.166 5.991 -3.005 1.00 0.00 H new ATOM 0 HB3 TRP A 47 6.584 6.982 -2.723 1.00 0.00 H new ATOM 0 HD1 TRP A 47 8.030 6.142 -0.380 1.00 0.00 H new ATOM 0 HE1 TRP A 47 8.770 3.736 0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 47 4.643 3.553 -3.212 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 7.968 1.063 -0.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 4.656 1.077 -3.216 1.00 0.00 H new ATOM 0 HH2 TRP A 47 6.315 -0.169 -1.861 1.00 0.00 H new ATOM 760 N GLN A 48 4.511 6.173 1.002 1.00 0.00 N ATOM 761 CA GLN A 48 3.744 5.261 1.894 1.00 0.00 C ATOM 762 C GLN A 48 2.297 5.752 1.967 1.00 0.00 C ATOM 763 O GLN A 48 1.382 5.091 1.515 1.00 0.00 O ATOM 764 CB GLN A 48 4.352 5.260 3.301 1.00 0.00 C ATOM 765 CG GLN A 48 5.881 5.317 3.221 1.00 0.00 C ATOM 766 CD GLN A 48 6.396 4.154 2.374 1.00 0.00 C ATOM 767 OE1 GLN A 48 7.517 4.180 1.908 1.00 0.00 O ATOM 768 NE2 GLN A 48 5.627 3.120 2.164 1.00 0.00 N ATOM 0 H GLN A 48 5.177 6.786 1.472 1.00 0.00 H new ATOM 0 HA GLN A 48 3.781 4.247 1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.979 6.114 3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.043 4.363 3.837 1.00 0.00 H new ATOM 0 HG2 GLN A 48 6.197 6.265 2.785 1.00 0.00 H new ATOM 0 HG3 GLN A 48 6.309 5.268 4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.685 3.097 2.555 1.00 0.00 H new ATOM 0 HE22 GLN A 48 5.968 2.335 1.609 1.00 0.00 H new ATOM 777 N ASN A 49 2.086 6.918 2.518 1.00 0.00 N ATOM 778 CA ASN A 49 0.702 7.464 2.605 1.00 0.00 C ATOM 779 C ASN A 49 0.237 7.855 1.202 1.00 0.00 C ATOM 780 O ASN A 49 -0.936 8.050 0.955 1.00 0.00 O ATOM 781 CB ASN A 49 0.692 8.699 3.509 1.00 0.00 C ATOM 782 CG ASN A 49 1.302 8.347 4.867 1.00 0.00 C ATOM 783 OD1 ASN A 49 0.684 7.671 5.666 1.00 0.00 O ATOM 784 ND2 ASN A 49 2.497 8.781 5.166 1.00 0.00 N ATOM 0 H ASN A 49 2.813 7.515 2.911 1.00 0.00 H new ATOM 0 HA ASN A 49 0.033 6.711 3.022 1.00 0.00 H new ATOM 0 HB2 ASN A 49 1.257 9.507 3.044 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.329 9.058 3.640 1.00 0.00 H new ATOM 0 HD21 ASN A 49 2.911 8.553 6.070 1.00 0.00 H new ATOM 0 HD22 ASN A 49 3.016 9.348 4.496 1.00 0.00 H new ATOM 791 N SER A 50 1.153 7.967 0.279 1.00 0.00 N ATOM 792 CA SER A 50 0.771 8.343 -1.109 1.00 0.00 C ATOM 793 C SER A 50 -0.043 7.209 -1.738 1.00 0.00 C ATOM 794 O SER A 50 -1.140 7.415 -2.210 1.00 0.00 O ATOM 795 CB SER A 50 2.032 8.588 -1.939 1.00 0.00 C ATOM 796 OG SER A 50 1.732 9.489 -2.997 1.00 0.00 O ATOM 0 H SER A 50 2.150 7.814 0.428 1.00 0.00 H new ATOM 0 HA SER A 50 0.171 9.253 -1.086 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.821 8.999 -1.309 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.404 7.646 -2.343 1.00 0.00 H new ATOM 0 HG SER A 50 1.131 9.054 -3.637 1.00 0.00 H new ATOM 802 N ILE A 51 0.485 6.014 -1.751 1.00 0.00 N ATOM 803 CA ILE A 51 -0.268 4.877 -2.355 1.00 0.00 C ATOM 804 C ILE A 51 -1.695 4.861 -1.811 1.00 0.00 C ATOM 805 O ILE A 51 -2.651 4.909 -2.558 1.00 0.00 O ATOM 806 CB ILE A 51 0.426 3.551 -2.013 1.00 0.00 C ATOM 807 CG1 ILE A 51 1.760 3.430 -2.763 1.00 0.00 C ATOM 808 CG2 ILE A 51 -0.474 2.384 -2.410 1.00 0.00 C ATOM 809 CD1 ILE A 51 1.668 4.070 -4.150 1.00 0.00 C ATOM 0 H ILE A 51 1.401 5.777 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.293 5.000 -3.438 1.00 0.00 H new ATOM 0 HB ILE A 51 0.617 3.529 -0.940 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.550 3.912 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.033 2.379 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.021 1.444 -2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.416 2.450 -1.866 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.670 2.424 -3.481 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.626 3.971 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.893 3.569 -4.731 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.419 5.126 -4.048 1.00 0.00 H new ATOM 821 N ARG A 52 -1.853 4.799 -0.519 1.00 0.00 N ATOM 822 CA ARG A 52 -3.229 4.782 0.049 1.00 0.00 C ATOM 823 C ARG A 52 -4.034 5.913 -0.591 1.00 0.00 C ATOM 824 O ARG A 52 -5.177 5.742 -0.966 1.00 0.00 O ATOM 825 CB ARG A 52 -3.164 4.989 1.563 1.00 0.00 C ATOM 826 CG ARG A 52 -4.572 5.237 2.105 1.00 0.00 C ATOM 827 CD ARG A 52 -4.500 5.487 3.612 1.00 0.00 C ATOM 828 NE ARG A 52 -4.209 6.926 3.861 1.00 0.00 N ATOM 829 CZ ARG A 52 -5.064 7.663 4.516 1.00 0.00 C ATOM 830 NH1 ARG A 52 -6.315 7.698 4.145 1.00 0.00 N ATOM 831 NH2 ARG A 52 -4.668 8.365 5.541 1.00 0.00 N ATOM 0 H ARG A 52 -1.096 4.760 0.163 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.705 3.823 -0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.728 4.113 2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.518 5.835 1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.020 6.095 1.604 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.210 4.378 1.898 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.442 5.208 4.083 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.724 4.865 4.058 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.340 7.336 3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.625 7.149 3.343 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.983 8.274 4.657 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -3.690 8.338 5.831 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.336 8.941 6.053 1.00 0.00 H new ATOM 845 N HIS A 53 -3.438 7.065 -0.731 1.00 0.00 N ATOM 846 CA HIS A 53 -4.157 8.206 -1.360 1.00 0.00 C ATOM 847 C HIS A 53 -4.236 7.974 -2.873 1.00 0.00 C ATOM 848 O HIS A 53 -5.215 8.302 -3.512 1.00 0.00 O ATOM 849 CB HIS A 53 -3.399 9.505 -1.077 1.00 0.00 C ATOM 850 CG HIS A 53 -4.158 10.666 -1.656 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.493 10.895 -1.361 1.00 0.00 N ATOM 852 CD2 HIS A 53 -3.787 11.671 -2.514 1.00 0.00 C ATOM 853 CE1 HIS A 53 -5.874 11.998 -2.033 1.00 0.00 C ATOM 854 NE2 HIS A 53 -4.872 12.510 -2.751 1.00 0.00 N ATOM 0 H HIS A 53 -2.482 7.265 -0.436 1.00 0.00 H new ATOM 0 HA HIS A 53 -5.163 8.281 -0.948 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.274 9.638 -0.002 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -2.400 9.457 -1.511 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.802 11.792 -2.941 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.869 12.417 -1.996 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.896 13.338 -3.346 1.00 0.00 H new ATOM 862 N ASN A 54 -3.207 7.406 -3.445 1.00 0.00 N ATOM 863 CA ASN A 54 -3.210 7.143 -4.913 1.00 0.00 C ATOM 864 C ASN A 54 -4.201 6.024 -5.223 1.00 0.00 C ATOM 865 O ASN A 54 -4.826 6.002 -6.265 1.00 0.00 O ATOM 866 CB ASN A 54 -1.810 6.708 -5.353 1.00 0.00 C ATOM 867 CG ASN A 54 -0.907 7.937 -5.475 1.00 0.00 C ATOM 868 OD1 ASN A 54 0.159 8.025 -4.726 1.00 0.00 O flip ATOM 869 ND2 ASN A 54 -1.174 8.826 -6.257 1.00 0.00 N flip ATOM 0 H ASN A 54 -2.362 7.112 -2.956 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.498 8.049 -5.445 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -1.392 6.007 -4.631 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.863 6.187 -6.309 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.007 8.757 -6.842 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.566 9.642 -6.329 1.00 0.00 H new ATOM 876 N LEU A 55 -4.344 5.090 -4.326 1.00 0.00 N ATOM 877 CA LEU A 55 -5.285 3.965 -4.563 1.00 0.00 C ATOM 878 C LEU A 55 -6.726 4.481 -4.542 1.00 0.00 C ATOM 879 O LEU A 55 -7.585 3.983 -5.241 1.00 0.00 O ATOM 880 CB LEU A 55 -5.100 2.921 -3.462 1.00 0.00 C ATOM 881 CG LEU A 55 -3.679 2.364 -3.516 1.00 0.00 C ATOM 882 CD1 LEU A 55 -3.361 1.655 -2.200 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.568 1.373 -4.676 1.00 0.00 C ATOM 0 H LEU A 55 -3.847 5.059 -3.436 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.081 3.517 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.289 3.369 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.822 2.114 -3.587 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.970 3.179 -3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.347 1.257 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.443 2.364 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.066 0.838 -2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.555 0.973 -4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.274 0.556 -4.526 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.796 1.882 -5.613 1.00 0.00 H new ATOM 895 N SER A 56 -7.000 5.473 -3.738 1.00 0.00 N ATOM 896 CA SER A 56 -8.387 6.016 -3.667 1.00 0.00 C ATOM 897 C SER A 56 -8.583 7.077 -4.751 1.00 0.00 C ATOM 898 O SER A 56 -9.676 7.563 -4.965 1.00 0.00 O ATOM 899 CB SER A 56 -8.614 6.643 -2.291 1.00 0.00 C ATOM 900 OG SER A 56 -8.617 5.620 -1.303 1.00 0.00 O ATOM 0 H SER A 56 -6.323 5.931 -3.127 1.00 0.00 H new ATOM 0 HA SER A 56 -9.101 5.208 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.831 7.370 -2.076 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.561 7.182 -2.276 1.00 0.00 H new ATOM 0 HG SER A 56 -8.313 4.778 -1.703 1.00 0.00 H new ATOM 906 N LEU A 57 -7.537 7.441 -5.437 1.00 0.00 N ATOM 907 CA LEU A 57 -7.670 8.472 -6.506 1.00 0.00 C ATOM 908 C LEU A 57 -7.991 7.791 -7.837 1.00 0.00 C ATOM 909 O LEU A 57 -9.089 7.890 -8.347 1.00 0.00 O ATOM 910 CB LEU A 57 -6.356 9.248 -6.630 1.00 0.00 C ATOM 911 CG LEU A 57 -6.535 10.660 -6.065 1.00 0.00 C ATOM 912 CD1 LEU A 57 -7.275 10.591 -4.727 1.00 0.00 C ATOM 913 CD2 LEU A 57 -5.160 11.297 -5.852 1.00 0.00 C ATOM 0 H LEU A 57 -6.596 7.070 -5.305 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.476 9.160 -6.250 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.563 8.728 -6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.050 9.300 -7.675 1.00 0.00 H new ATOM 0 HG LEU A 57 -7.114 11.260 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -7.400 11.598 -4.328 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.254 10.135 -4.876 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.698 9.991 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.283 12.303 -5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.584 10.694 -5.150 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.632 11.349 -6.804 1.00 0.00 H new ATOM 925 N ASN A 58 -7.042 7.099 -8.407 1.00 0.00 N ATOM 926 CA ASN A 58 -7.298 6.411 -9.705 1.00 0.00 C ATOM 927 C ASN A 58 -8.658 5.716 -9.651 1.00 0.00 C ATOM 928 O ASN A 58 -9.153 5.382 -8.592 1.00 0.00 O ATOM 929 CB ASN A 58 -6.202 5.376 -9.957 1.00 0.00 C ATOM 930 CG ASN A 58 -4.836 6.063 -9.918 1.00 0.00 C ATOM 931 OD1 ASN A 58 -4.342 6.515 -10.931 1.00 0.00 O ATOM 932 ND2 ASN A 58 -4.203 6.163 -8.781 1.00 0.00 N ATOM 0 H ASN A 58 -6.101 6.980 -8.031 1.00 0.00 H new ATOM 0 HA ASN A 58 -7.297 7.142 -10.513 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -6.248 4.590 -9.203 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -6.353 4.898 -10.925 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -3.292 6.621 -8.743 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -4.619 5.783 -7.931 1.00 0.00 H new ATOM 939 N ARG A 59 -9.273 5.503 -10.782 1.00 0.00 N ATOM 940 CA ARG A 59 -10.607 4.838 -10.791 1.00 0.00 C ATOM 941 C ARG A 59 -10.439 3.322 -10.927 1.00 0.00 C ATOM 942 O ARG A 59 -11.364 2.568 -10.698 1.00 0.00 O ATOM 943 CB ARG A 59 -11.433 5.367 -11.967 1.00 0.00 C ATOM 944 CG ARG A 59 -10.785 4.933 -13.282 1.00 0.00 C ATOM 945 CD ARG A 59 -10.426 6.171 -14.107 1.00 0.00 C ATOM 946 NE ARG A 59 -11.674 6.884 -14.499 1.00 0.00 N ATOM 947 CZ ARG A 59 -11.605 8.054 -15.072 1.00 0.00 C ATOM 948 NH1 ARG A 59 -10.939 8.198 -16.185 1.00 0.00 N ATOM 949 NH2 ARG A 59 -12.203 9.081 -14.532 1.00 0.00 N ATOM 0 H ARG A 59 -8.910 5.760 -11.700 1.00 0.00 H new ATOM 0 HA ARG A 59 -11.119 5.057 -9.854 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.453 4.987 -11.909 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.495 6.454 -11.921 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -9.890 4.344 -13.082 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -11.468 4.295 -13.843 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.782 6.833 -13.528 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.866 5.879 -14.996 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.583 6.457 -14.319 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.472 7.396 -16.607 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.885 9.113 -16.633 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -12.724 8.969 -13.662 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.149 9.996 -14.980 1.00 0.00 H new ATOM 963 N TYR A 60 -9.275 2.862 -11.301 1.00 0.00 N ATOM 964 CA TYR A 60 -9.084 1.391 -11.447 1.00 0.00 C ATOM 965 C TYR A 60 -8.448 0.821 -10.180 1.00 0.00 C ATOM 966 O TYR A 60 -7.727 -0.157 -10.218 1.00 0.00 O ATOM 967 CB TYR A 60 -8.196 1.093 -12.654 1.00 0.00 C ATOM 968 CG TYR A 60 -6.845 1.745 -12.484 1.00 0.00 C ATOM 969 CD1 TYR A 60 -6.671 3.088 -12.838 1.00 0.00 C ATOM 970 CD2 TYR A 60 -5.761 1.005 -11.993 1.00 0.00 C ATOM 971 CE1 TYR A 60 -5.418 3.692 -12.702 1.00 0.00 C ATOM 972 CE2 TYR A 60 -4.510 1.613 -11.856 1.00 0.00 C ATOM 973 CZ TYR A 60 -4.338 2.954 -12.211 1.00 0.00 C ATOM 974 OH TYR A 60 -3.102 3.548 -12.079 1.00 0.00 O ATOM 0 H TYR A 60 -8.457 3.434 -11.510 1.00 0.00 H new ATOM 0 HA TYR A 60 -10.056 0.923 -11.600 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -8.076 0.016 -12.768 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -8.672 1.459 -13.564 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -7.506 3.658 -13.217 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.892 -0.032 -11.721 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -5.285 4.728 -12.976 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -3.674 1.045 -11.475 1.00 0.00 H new ATOM 0 HH TYR A 60 -3.054 4.336 -12.659 1.00 0.00 H new ATOM 984 N PHE A 61 -8.726 1.416 -9.056 1.00 0.00 N ATOM 985 CA PHE A 61 -8.164 0.907 -7.776 1.00 0.00 C ATOM 986 C PHE A 61 -9.269 0.946 -6.720 1.00 0.00 C ATOM 987 O PHE A 61 -9.763 1.997 -6.363 1.00 0.00 O ATOM 988 CB PHE A 61 -6.993 1.787 -7.333 1.00 0.00 C ATOM 989 CG PHE A 61 -5.721 1.327 -8.010 1.00 0.00 C ATOM 990 CD1 PHE A 61 -5.398 -0.038 -8.077 1.00 0.00 C ATOM 991 CD2 PHE A 61 -4.854 2.273 -8.568 1.00 0.00 C ATOM 992 CE1 PHE A 61 -4.213 -0.443 -8.700 1.00 0.00 C ATOM 993 CE2 PHE A 61 -3.673 1.866 -9.187 1.00 0.00 C ATOM 994 CZ PHE A 61 -3.352 0.510 -9.254 1.00 0.00 C ATOM 0 H PHE A 61 -9.322 2.239 -8.968 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.801 -0.113 -7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.193 2.828 -7.585 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.878 1.737 -6.250 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.063 -0.773 -7.649 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.101 3.323 -8.519 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.963 -1.492 -8.753 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.007 2.600 -9.615 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.437 0.196 -9.734 1.00 0.00 H new ATOM 1004 N ILE A 62 -9.672 -0.191 -6.231 1.00 0.00 N ATOM 1005 CA ILE A 62 -10.762 -0.220 -5.214 1.00 0.00 C ATOM 1006 C ILE A 62 -10.289 -0.951 -3.957 1.00 0.00 C ATOM 1007 O ILE A 62 -9.264 -1.605 -3.953 1.00 0.00 O ATOM 1008 CB ILE A 62 -11.975 -0.948 -5.798 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -11.619 -2.418 -6.035 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -12.371 -0.304 -7.127 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -12.460 -3.301 -5.111 1.00 0.00 C ATOM 0 H ILE A 62 -9.295 -1.103 -6.490 1.00 0.00 H new ATOM 0 HA ILE A 62 -11.033 0.802 -4.950 1.00 0.00 H new ATOM 0 HB ILE A 62 -12.809 -0.879 -5.099 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -11.802 -2.684 -7.076 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.558 -2.582 -5.846 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -13.235 -0.824 -7.540 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -12.623 0.744 -6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -11.538 -0.371 -7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -12.207 -4.348 -5.279 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.255 -3.040 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -13.518 -3.145 -5.322 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.034 -0.850 -2.888 1.00 0.00 N ATOM 1024 CA LYS A 63 -10.635 -1.539 -1.629 1.00 0.00 C ATOM 1025 C LYS A 63 -11.763 -2.473 -1.178 1.00 0.00 C ATOM 1026 O LYS A 63 -12.931 -2.157 -1.297 1.00 0.00 O ATOM 1027 CB LYS A 63 -10.363 -0.498 -0.539 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.599 0.384 -0.347 1.00 0.00 C ATOM 1029 CD LYS A 63 -11.299 1.801 -0.843 1.00 0.00 C ATOM 1030 CE LYS A 63 -12.196 2.802 -0.113 1.00 0.00 C ATOM 1031 NZ LYS A 63 -13.000 3.567 -1.107 1.00 0.00 N ATOM 0 H LYS A 63 -11.903 -0.319 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.731 -2.122 -1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.111 -0.995 0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -9.506 0.116 -0.815 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.444 -0.033 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.881 0.408 0.706 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.251 2.043 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -11.467 1.864 -1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.856 2.278 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.589 3.484 0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.610 4.248 -0.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.362 4.079 -1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.590 2.910 -1.656 1.00 0.00 H new ATOM 1045 N VAL A 64 -11.422 -3.625 -0.665 1.00 0.00 N ATOM 1046 CA VAL A 64 -12.472 -4.582 -0.211 1.00 0.00 C ATOM 1047 C VAL A 64 -12.293 -4.878 1.282 1.00 0.00 C ATOM 1048 O VAL A 64 -11.609 -5.812 1.650 1.00 0.00 O ATOM 1049 CB VAL A 64 -12.348 -5.884 -1.000 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.071 -5.745 -2.341 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -10.870 -6.180 -1.245 1.00 0.00 C ATOM 0 H VAL A 64 -10.461 -3.945 -0.541 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.455 -4.142 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 64 -12.798 -6.699 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.981 -6.676 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.125 -5.528 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.624 -4.932 -2.913 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.773 -7.108 -1.808 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.425 -5.363 -1.813 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.356 -6.280 -0.289 1.00 0.00 H new ATOM 1061 N PRO A 65 -12.921 -4.071 2.096 1.00 0.00 N ATOM 1062 CA PRO A 65 -12.864 -4.211 3.561 1.00 0.00 C ATOM 1063 C PRO A 65 -13.788 -5.340 4.029 1.00 0.00 C ATOM 1064 O PRO A 65 -14.530 -5.910 3.252 1.00 0.00 O ATOM 1065 CB PRO A 65 -13.360 -2.855 4.070 1.00 0.00 C ATOM 1066 CG PRO A 65 -14.195 -2.239 2.921 1.00 0.00 C ATOM 1067 CD PRO A 65 -13.745 -2.942 1.627 1.00 0.00 C ATOM 0 HA PRO A 65 -11.869 -4.462 3.929 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.964 -2.975 4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.523 -2.208 4.332 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -15.261 -2.388 3.093 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -14.030 -1.163 2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.599 -3.287 1.044 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.173 -2.270 0.987 1.00 0.00 H new ATOM 1075 N ARG A 66 -13.751 -5.664 5.293 1.00 0.00 N ATOM 1076 CA ARG A 66 -14.628 -6.753 5.813 1.00 0.00 C ATOM 1077 C ARG A 66 -15.969 -6.161 6.250 1.00 0.00 C ATOM 1078 O ARG A 66 -17.018 -6.575 5.799 1.00 0.00 O ATOM 1079 CB ARG A 66 -13.950 -7.423 7.011 1.00 0.00 C ATOM 1080 CG ARG A 66 -14.852 -8.534 7.557 1.00 0.00 C ATOM 1081 CD ARG A 66 -14.425 -8.883 8.984 1.00 0.00 C ATOM 1082 NE ARG A 66 -15.469 -8.420 9.942 1.00 0.00 N ATOM 1083 CZ ARG A 66 -15.119 -7.832 11.053 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -14.335 -6.788 11.019 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -15.554 -8.284 12.197 1.00 0.00 N ATOM 0 H ARG A 66 -13.151 -5.221 5.989 1.00 0.00 H new ATOM 0 HA ARG A 66 -14.796 -7.492 5.030 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -12.987 -7.837 6.712 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -13.753 -6.686 7.789 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -15.893 -8.210 7.546 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.786 -9.416 6.920 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -14.281 -9.959 9.079 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.470 -8.412 9.215 1.00 0.00 H new ATOM 0 HE ARG A 66 -16.456 -8.563 9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -13.997 -6.433 10.125 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -14.061 -6.328 11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.168 -9.098 12.223 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.280 -7.824 13.065 1.00 0.00 H new ATOM 1099 N SER A 67 -15.943 -5.195 7.127 1.00 0.00 N ATOM 1100 CA SER A 67 -17.215 -4.575 7.594 1.00 0.00 C ATOM 1101 C SER A 67 -16.949 -3.129 8.017 1.00 0.00 C ATOM 1102 O SER A 67 -17.693 -2.548 8.781 1.00 0.00 O ATOM 1103 CB SER A 67 -17.759 -5.363 8.784 1.00 0.00 C ATOM 1104 OG SER A 67 -16.674 -5.856 9.556 1.00 0.00 O ATOM 0 H SER A 67 -15.095 -4.808 7.541 1.00 0.00 H new ATOM 0 HA SER A 67 -17.946 -4.589 6.786 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.396 -4.725 9.397 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.377 -6.190 8.435 1.00 0.00 H new ATOM 0 HG SER A 67 -16.944 -5.922 10.496 1.00 0.00 H new ATOM 1110 N GLN A 68 -15.892 -2.544 7.523 1.00 0.00 N ATOM 1111 CA GLN A 68 -15.576 -1.137 7.895 1.00 0.00 C ATOM 1112 C GLN A 68 -15.524 -0.277 6.629 1.00 0.00 C ATOM 1113 O GLN A 68 -15.242 -0.758 5.550 1.00 0.00 O ATOM 1114 CB GLN A 68 -14.220 -1.088 8.602 1.00 0.00 C ATOM 1115 CG GLN A 68 -14.397 -0.515 10.010 1.00 0.00 C ATOM 1116 CD GLN A 68 -13.982 -1.562 11.044 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -13.719 -2.698 10.704 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -13.911 -1.227 12.303 1.00 0.00 N ATOM 0 H GLN A 68 -15.234 -2.980 6.878 1.00 0.00 H new ATOM 0 HA GLN A 68 -16.347 -0.755 8.564 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.790 -2.088 8.657 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -13.523 -0.473 8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -13.793 0.385 10.126 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.436 -0.225 10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.132 -0.273 12.590 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.635 -1.919 13.000 1.00 0.00 H new ATOM 1127 N GLU A 69 -15.794 0.994 6.753 1.00 0.00 N ATOM 1128 CA GLU A 69 -15.760 1.884 5.559 1.00 0.00 C ATOM 1129 C GLU A 69 -14.413 2.608 5.504 1.00 0.00 C ATOM 1130 O GLU A 69 -13.779 2.686 4.470 1.00 0.00 O ATOM 1131 CB GLU A 69 -16.893 2.911 5.657 1.00 0.00 C ATOM 1132 CG GLU A 69 -16.665 4.032 4.640 1.00 0.00 C ATOM 1133 CD GLU A 69 -16.715 3.456 3.223 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -16.904 2.258 3.097 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -16.564 4.225 2.287 1.00 0.00 O ATOM 0 H GLU A 69 -16.037 1.454 7.630 1.00 0.00 H new ATOM 0 HA GLU A 69 -15.889 1.289 4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -17.852 2.427 5.470 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -16.935 3.325 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -17.426 4.804 4.757 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -15.700 4.507 4.817 1.00 0.00 H new ATOM 1142 N GLU A 70 -13.972 3.141 6.610 1.00 0.00 N ATOM 1143 CA GLU A 70 -12.668 3.862 6.622 1.00 0.00 C ATOM 1144 C GLU A 70 -11.521 2.846 6.566 1.00 0.00 C ATOM 1145 O GLU A 70 -11.687 1.705 6.948 1.00 0.00 O ATOM 1146 CB GLU A 70 -12.557 4.687 7.907 1.00 0.00 C ATOM 1147 CG GLU A 70 -13.885 5.400 8.170 1.00 0.00 C ATOM 1148 CD GLU A 70 -13.614 6.824 8.658 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -12.453 7.169 8.801 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -14.573 7.546 8.879 1.00 0.00 O ATOM 0 H GLU A 70 -14.458 3.108 7.506 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.609 4.523 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.307 4.040 8.747 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.752 5.416 7.816 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -14.483 5.424 7.259 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -14.462 4.853 8.915 1.00 0.00 H new ATOM 1157 N PRO A 71 -10.388 3.297 6.089 1.00 0.00 N ATOM 1158 CA PRO A 71 -9.186 2.453 5.967 1.00 0.00 C ATOM 1159 C PRO A 71 -8.509 2.287 7.330 1.00 0.00 C ATOM 1160 O PRO A 71 -8.574 3.157 8.176 1.00 0.00 O ATOM 1161 CB PRO A 71 -8.293 3.239 5.002 1.00 0.00 C ATOM 1162 CG PRO A 71 -8.765 4.713 5.072 1.00 0.00 C ATOM 1163 CD PRO A 71 -10.201 4.690 5.631 1.00 0.00 C ATOM 0 HA PRO A 71 -9.402 1.445 5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -7.244 3.153 5.286 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.381 2.851 3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.109 5.300 5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -8.741 5.175 4.085 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.321 5.398 6.451 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.930 4.960 4.867 1.00 0.00 H new ATOM 1171 N GLY A 72 -7.862 1.176 7.552 1.00 0.00 N ATOM 1172 CA GLY A 72 -7.185 0.956 8.861 1.00 0.00 C ATOM 1173 C GLY A 72 -6.267 -0.265 8.766 1.00 0.00 C ATOM 1174 O GLY A 72 -5.420 -0.351 7.899 1.00 0.00 O ATOM 0 H GLY A 72 -7.773 0.411 6.883 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.606 1.838 9.135 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.927 0.805 9.645 1.00 0.00 H new ATOM 1178 N LYS A 73 -6.428 -1.212 9.651 1.00 0.00 N ATOM 1179 CA LYS A 73 -5.562 -2.425 9.611 1.00 0.00 C ATOM 1180 C LYS A 73 -6.321 -3.576 8.944 1.00 0.00 C ATOM 1181 O LYS A 73 -5.842 -4.690 8.874 1.00 0.00 O ATOM 1182 CB LYS A 73 -5.178 -2.828 11.037 1.00 0.00 C ATOM 1183 CG LYS A 73 -4.147 -3.958 10.992 1.00 0.00 C ATOM 1184 CD LYS A 73 -3.028 -3.670 11.996 1.00 0.00 C ATOM 1185 CE LYS A 73 -1.839 -3.037 11.271 1.00 0.00 C ATOM 1186 NZ LYS A 73 -0.568 -3.550 11.857 1.00 0.00 N ATOM 0 H LYS A 73 -7.121 -1.198 10.399 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.660 -2.205 9.040 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.769 -1.970 11.570 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.063 -3.151 11.585 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.624 -4.909 11.227 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.734 -4.048 9.987 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.389 -3.000 12.777 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.719 -4.593 12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.882 -3.271 10.207 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -1.881 -1.951 11.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.240 -3.120 11.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.528 -3.305 12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.528 -4.584 11.749 1.00 0.00 H new ATOM 1200 N GLY A 74 -7.504 -3.317 8.453 1.00 0.00 N ATOM 1201 CA GLY A 74 -8.287 -4.400 7.795 1.00 0.00 C ATOM 1202 C GLY A 74 -8.885 -3.882 6.485 1.00 0.00 C ATOM 1203 O GLY A 74 -10.079 -3.946 6.268 1.00 0.00 O ATOM 0 H GLY A 74 -7.960 -2.405 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.644 -5.258 7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -9.081 -4.742 8.458 1.00 0.00 H new ATOM 1207 N SER A 75 -8.064 -3.373 5.607 1.00 0.00 N ATOM 1208 CA SER A 75 -8.584 -2.856 4.309 1.00 0.00 C ATOM 1209 C SER A 75 -7.782 -3.472 3.162 1.00 0.00 C ATOM 1210 O SER A 75 -6.647 -3.109 2.920 1.00 0.00 O ATOM 1211 CB SER A 75 -8.442 -1.334 4.271 1.00 0.00 C ATOM 1212 OG SER A 75 -8.531 -0.821 5.593 1.00 0.00 O ATOM 0 H SER A 75 -7.055 -3.293 5.733 1.00 0.00 H new ATOM 0 HA SER A 75 -9.636 -3.123 4.205 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.487 -1.057 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 75 -9.223 -0.900 3.647 1.00 0.00 H new ATOM 0 HG SER A 75 -9.472 -0.768 5.861 1.00 0.00 H new ATOM 1218 N PHE A 76 -8.358 -4.405 2.455 1.00 0.00 N ATOM 1219 CA PHE A 76 -7.621 -5.042 1.330 1.00 0.00 C ATOM 1220 C PHE A 76 -7.844 -4.240 0.048 1.00 0.00 C ATOM 1221 O PHE A 76 -8.960 -4.037 -0.390 1.00 0.00 O ATOM 1222 CB PHE A 76 -8.119 -6.474 1.135 1.00 0.00 C ATOM 1223 CG PHE A 76 -6.950 -7.424 1.239 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -6.030 -7.519 0.188 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -6.781 -8.206 2.388 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -4.943 -8.396 0.284 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -5.695 -9.083 2.485 1.00 0.00 C ATOM 1228 CZ PHE A 76 -4.775 -9.177 1.434 1.00 0.00 C ATOM 0 H PHE A 76 -9.305 -4.752 2.608 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.556 -5.060 1.562 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -8.869 -6.717 1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -8.600 -6.575 0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.159 -6.915 -0.698 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -7.489 -8.132 3.200 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.235 -8.470 -0.528 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.567 -9.687 3.371 1.00 0.00 H new ATOM 0 HZ PHE A 76 -3.935 -9.852 1.510 1.00 0.00 H new ATOM 1238 N TRP A 77 -6.784 -3.776 -0.554 1.00 0.00 N ATOM 1239 CA TRP A 77 -6.912 -2.977 -1.804 1.00 0.00 C ATOM 1240 C TRP A 77 -7.080 -3.906 -3.011 1.00 0.00 C ATOM 1241 O TRP A 77 -6.753 -5.074 -2.961 1.00 0.00 O ATOM 1242 CB TRP A 77 -5.648 -2.139 -1.988 1.00 0.00 C ATOM 1243 CG TRP A 77 -5.893 -0.757 -1.487 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -5.408 -0.252 -0.329 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -6.669 0.305 -2.104 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -5.836 1.056 -0.200 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -6.616 1.445 -1.270 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -7.407 0.388 -3.299 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -7.270 2.627 -1.609 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.067 1.578 -3.642 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -7.996 2.694 -2.799 1.00 0.00 C ATOM 0 H TRP A 77 -5.827 -3.918 -0.230 1.00 0.00 H new ATOM 0 HA TRP A 77 -7.786 -2.330 -1.729 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.817 -2.591 -1.448 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -5.367 -2.112 -3.041 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -4.788 -0.784 0.378 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -5.604 1.659 0.589 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -7.466 -0.468 -3.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -7.216 3.485 -0.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.632 1.633 -4.561 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -8.504 3.608 -3.070 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.586 -3.386 -4.097 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.779 -4.223 -5.318 1.00 0.00 C ATOM 1264 C ARG A 78 -7.916 -3.309 -6.537 1.00 0.00 C ATOM 1265 O ARG A 78 -8.317 -2.170 -6.423 1.00 0.00 O ATOM 1266 CB ARG A 78 -9.055 -5.052 -5.170 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.158 -6.061 -6.317 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.616 -6.488 -6.494 1.00 0.00 C ATOM 1269 NE ARG A 78 -10.770 -7.216 -7.785 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.949 -7.625 -8.169 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -12.861 -7.906 -7.280 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.216 -7.752 -9.440 1.00 0.00 N ATOM 0 H ARG A 78 -7.876 -2.413 -4.192 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.923 -4.886 -5.445 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.050 -5.575 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -9.926 -4.397 -5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.784 -5.618 -7.240 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -8.536 -6.931 -6.106 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.921 -7.127 -5.666 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.266 -5.613 -6.478 1.00 0.00 H new ATOM 0 HE ARG A 78 -9.953 -7.395 -8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.653 -7.806 -6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.783 -8.226 -7.578 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.503 -7.532 -10.135 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.138 -8.072 -9.738 1.00 0.00 H new ATOM 1286 N ILE A 79 -7.603 -3.798 -7.704 1.00 0.00 N ATOM 1287 CA ILE A 79 -7.741 -2.950 -8.924 1.00 0.00 C ATOM 1288 C ILE A 79 -9.008 -3.373 -9.679 1.00 0.00 C ATOM 1289 O ILE A 79 -9.476 -4.486 -9.543 1.00 0.00 O ATOM 1290 CB ILE A 79 -6.496 -3.109 -9.816 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -6.687 -4.269 -10.806 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -5.280 -3.392 -8.938 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -5.337 -4.665 -11.414 1.00 0.00 C ATOM 0 H ILE A 79 -7.259 -4.744 -7.867 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.824 -1.900 -8.643 1.00 0.00 H new ATOM 0 HB ILE A 79 -6.346 -2.187 -10.378 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -7.131 -5.124 -10.296 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.379 -3.975 -11.595 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.396 -3.505 -9.566 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -5.130 -2.563 -8.246 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -5.444 -4.310 -8.374 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -5.481 -5.488 -12.114 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.910 -3.811 -11.940 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -4.659 -4.978 -10.621 1.00 0.00 H new ATOM 1305 N ASP A 80 -9.569 -2.499 -10.470 1.00 0.00 N ATOM 1306 CA ASP A 80 -10.803 -2.870 -11.219 1.00 0.00 C ATOM 1307 C ASP A 80 -10.504 -4.075 -12.119 1.00 0.00 C ATOM 1308 O ASP A 80 -9.401 -4.226 -12.603 1.00 0.00 O ATOM 1309 CB ASP A 80 -11.259 -1.685 -12.075 1.00 0.00 C ATOM 1310 CG ASP A 80 -12.701 -1.321 -11.714 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -13.142 -1.720 -10.650 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -13.337 -0.649 -12.510 1.00 0.00 O ATOM 0 H ASP A 80 -9.229 -1.551 -10.629 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.595 -3.129 -10.516 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.604 -0.830 -11.909 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.190 -1.939 -13.133 1.00 0.00 H new ATOM 1317 N PRO A 81 -11.500 -4.905 -12.303 1.00 0.00 N ATOM 1318 CA PRO A 81 -11.380 -6.122 -13.127 1.00 0.00 C ATOM 1319 C PRO A 81 -11.435 -5.784 -14.619 1.00 0.00 C ATOM 1320 O PRO A 81 -10.649 -6.274 -15.405 1.00 0.00 O ATOM 1321 CB PRO A 81 -12.598 -6.955 -12.714 1.00 0.00 C ATOM 1322 CG PRO A 81 -13.628 -5.959 -12.128 1.00 0.00 C ATOM 1323 CD PRO A 81 -12.838 -4.705 -11.710 1.00 0.00 C ATOM 0 HA PRO A 81 -10.435 -6.643 -12.975 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -13.014 -7.486 -13.570 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -12.322 -7.708 -11.976 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.389 -5.709 -12.867 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.145 -6.394 -11.273 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.308 -3.795 -12.084 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.783 -4.612 -10.625 1.00 0.00 H new ATOM 1331 N ALA A 82 -12.361 -4.956 -15.018 1.00 0.00 N ATOM 1332 CA ALA A 82 -12.465 -4.600 -16.461 1.00 0.00 C ATOM 1333 C ALA A 82 -11.475 -3.488 -16.794 1.00 0.00 C ATOM 1334 O ALA A 82 -11.429 -2.998 -17.905 1.00 0.00 O ATOM 1335 CB ALA A 82 -13.887 -4.127 -16.768 1.00 0.00 C ATOM 0 H ALA A 82 -13.048 -4.512 -14.409 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.233 -5.478 -17.065 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -13.964 -3.866 -17.824 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.593 -4.925 -16.539 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.119 -3.252 -16.160 1.00 0.00 H new ATOM 1341 N SER A 83 -10.664 -3.099 -15.852 1.00 0.00 N ATOM 1342 CA SER A 83 -9.667 -2.038 -16.131 1.00 0.00 C ATOM 1343 C SER A 83 -8.277 -2.646 -15.998 1.00 0.00 C ATOM 1344 O SER A 83 -7.287 -2.010 -16.284 1.00 0.00 O ATOM 1345 CB SER A 83 -9.827 -0.895 -15.128 1.00 0.00 C ATOM 1346 OG SER A 83 -11.210 -0.621 -14.942 1.00 0.00 O ATOM 0 H SER A 83 -10.651 -3.471 -14.902 1.00 0.00 H new ATOM 0 HA SER A 83 -9.813 -1.642 -17.136 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.367 -1.164 -14.177 1.00 0.00 H new ATOM 0 HB3 SER A 83 -9.314 -0.004 -15.490 1.00 0.00 H new ATOM 0 HG SER A 83 -11.315 0.110 -14.298 1.00 0.00 H new ATOM 1352 N GLU A 84 -8.201 -3.883 -15.568 1.00 0.00 N ATOM 1353 CA GLU A 84 -6.876 -4.538 -15.412 1.00 0.00 C ATOM 1354 C GLU A 84 -6.155 -4.538 -16.750 1.00 0.00 C ATOM 1355 O GLU A 84 -5.044 -4.069 -16.854 1.00 0.00 O ATOM 1356 CB GLU A 84 -7.061 -5.981 -14.932 1.00 0.00 C ATOM 1357 CG GLU A 84 -5.798 -6.439 -14.200 1.00 0.00 C ATOM 1358 CD GLU A 84 -5.299 -7.752 -14.809 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -5.143 -7.800 -16.017 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -5.081 -8.686 -14.054 1.00 0.00 O ATOM 0 H GLU A 84 -9.003 -4.462 -15.320 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.287 -3.989 -14.677 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.923 -6.047 -14.269 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.260 -6.635 -15.781 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.025 -5.675 -14.275 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.009 -6.576 -13.139 1.00 0.00 H new ATOM 1367 N ALA A 85 -6.775 -5.043 -17.779 1.00 0.00 N ATOM 1368 CA ALA A 85 -6.100 -5.047 -19.106 1.00 0.00 C ATOM 1369 C ALA A 85 -5.780 -3.606 -19.503 1.00 0.00 C ATOM 1370 O ALA A 85 -4.945 -3.354 -20.350 1.00 0.00 O ATOM 1371 CB ALA A 85 -7.024 -5.676 -20.152 1.00 0.00 C ATOM 0 H ALA A 85 -7.710 -5.449 -17.760 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.179 -5.628 -19.050 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.527 -5.678 -21.122 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.257 -6.701 -19.862 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.946 -5.098 -20.217 1.00 0.00 H new ATOM 1377 N LYS A 86 -6.438 -2.658 -18.894 1.00 0.00 N ATOM 1378 CA LYS A 86 -6.176 -1.231 -19.229 1.00 0.00 C ATOM 1379 C LYS A 86 -5.120 -0.664 -18.278 1.00 0.00 C ATOM 1380 O LYS A 86 -4.104 -0.148 -18.705 1.00 0.00 O ATOM 1381 CB LYS A 86 -7.470 -0.427 -19.095 1.00 0.00 C ATOM 1382 CG LYS A 86 -7.626 0.494 -20.306 1.00 0.00 C ATOM 1383 CD LYS A 86 -6.380 1.371 -20.443 1.00 0.00 C ATOM 1384 CE LYS A 86 -6.439 2.508 -19.422 1.00 0.00 C ATOM 1385 NZ LYS A 86 -5.746 3.707 -19.973 1.00 0.00 N ATOM 0 H LYS A 86 -7.147 -2.811 -18.177 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.812 -1.163 -20.254 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.324 -1.101 -19.025 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -7.452 0.161 -18.177 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.769 -0.098 -21.210 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.512 1.118 -20.190 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -5.483 0.773 -20.285 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -6.318 1.778 -21.452 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.476 2.749 -19.190 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -5.967 2.199 -18.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -5.786 4.481 -19.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -4.753 3.472 -20.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.215 4.006 -20.852 1.00 0.00 H new ATOM 1399 N LEU A 87 -5.346 -0.744 -16.995 1.00 0.00 N ATOM 1400 CA LEU A 87 -4.344 -0.195 -16.039 1.00 0.00 C ATOM 1401 C LEU A 87 -2.990 -0.826 -16.306 1.00 0.00 C ATOM 1402 O LEU A 87 -2.007 -0.150 -16.529 1.00 0.00 O ATOM 1403 CB LEU A 87 -4.756 -0.485 -14.594 1.00 0.00 C ATOM 1404 CG LEU A 87 -5.366 -1.885 -14.468 1.00 0.00 C ATOM 1405 CD1 LEU A 87 -4.470 -2.774 -13.610 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -6.736 -1.777 -13.794 1.00 0.00 C ATOM 0 H LEU A 87 -6.174 -1.162 -16.570 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.289 0.885 -16.179 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.887 -0.403 -13.941 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.477 0.261 -14.261 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.463 -2.319 -15.463 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.914 -3.766 -13.528 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -3.486 -2.854 -14.073 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.369 -2.338 -12.616 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.175 -2.770 -13.701 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.620 -1.338 -12.803 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.389 -1.146 -14.397 1.00 0.00 H new ATOM 1418 N VAL A 88 -2.940 -2.117 -16.283 1.00 0.00 N ATOM 1419 CA VAL A 88 -1.663 -2.821 -16.537 1.00 0.00 C ATOM 1420 C VAL A 88 -0.915 -2.145 -17.684 1.00 0.00 C ATOM 1421 O VAL A 88 0.299 -2.100 -17.707 1.00 0.00 O ATOM 1422 CB VAL A 88 -1.981 -4.237 -16.948 1.00 0.00 C ATOM 1423 CG1 VAL A 88 -2.666 -4.976 -15.796 1.00 0.00 C ATOM 1424 CG2 VAL A 88 -2.904 -4.194 -18.164 1.00 0.00 C ATOM 0 H VAL A 88 -3.738 -2.724 -16.097 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.047 -2.799 -15.638 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.062 -4.766 -17.198 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.892 -5.997 -16.102 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.004 -4.995 -14.931 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -3.591 -4.463 -15.534 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -3.144 -5.211 -18.475 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.822 -3.667 -17.905 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.405 -3.673 -18.981 1.00 0.00 H new ATOM 1434 N GLU A 89 -1.631 -1.623 -18.639 1.00 0.00 N ATOM 1435 CA GLU A 89 -0.956 -0.954 -19.784 1.00 0.00 C ATOM 1436 C GLU A 89 -0.008 0.102 -19.228 1.00 0.00 C ATOM 1437 O GLU A 89 1.022 0.396 -19.801 1.00 0.00 O ATOM 1438 CB GLU A 89 -2.003 -0.287 -20.678 1.00 0.00 C ATOM 1439 CG GLU A 89 -1.370 0.082 -22.021 1.00 0.00 C ATOM 1440 CD GLU A 89 -1.363 -1.143 -22.937 1.00 0.00 C ATOM 1441 OE1 GLU A 89 -2.344 -1.346 -23.632 1.00 0.00 O ATOM 1442 OE2 GLU A 89 -0.373 -1.857 -22.931 1.00 0.00 O ATOM 0 H GLU A 89 -2.650 -1.630 -18.676 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.402 -1.684 -20.375 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.845 -0.961 -20.834 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -2.396 0.606 -20.192 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -1.928 0.894 -22.487 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.352 0.441 -21.869 1.00 0.00 H new ATOM 1449 N GLN A 90 -0.338 0.654 -18.095 1.00 0.00 N ATOM 1450 CA GLN A 90 0.554 1.670 -17.475 1.00 0.00 C ATOM 1451 C GLN A 90 1.607 0.936 -16.644 1.00 0.00 C ATOM 1452 O GLN A 90 2.667 1.458 -16.357 1.00 0.00 O ATOM 1453 CB GLN A 90 -0.263 2.594 -16.570 1.00 0.00 C ATOM 1454 CG GLN A 90 -0.939 3.673 -17.418 1.00 0.00 C ATOM 1455 CD GLN A 90 0.110 4.676 -17.904 1.00 0.00 C ATOM 1456 OE1 GLN A 90 0.661 4.524 -18.975 1.00 0.00 O ATOM 1457 NE2 GLN A 90 0.410 5.703 -17.155 1.00 0.00 N ATOM 0 H GLN A 90 -1.188 0.445 -17.571 1.00 0.00 H new ATOM 0 HA GLN A 90 1.033 2.271 -18.248 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -1.014 2.019 -16.028 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.384 3.055 -15.824 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -1.443 3.217 -18.270 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.702 4.185 -16.832 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.053 5.831 -16.255 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.107 6.378 -17.470 1.00 0.00 H new ATOM 1466 N ALA A 91 1.318 -0.280 -16.261 1.00 0.00 N ATOM 1467 CA ALA A 91 2.294 -1.066 -15.456 1.00 0.00 C ATOM 1468 C ALA A 91 3.560 -1.297 -16.283 1.00 0.00 C ATOM 1469 O ALA A 91 4.620 -0.791 -15.971 1.00 0.00 O ATOM 1470 CB ALA A 91 1.682 -2.414 -15.072 1.00 0.00 C ATOM 0 H ALA A 91 0.445 -0.763 -16.473 1.00 0.00 H new ATOM 0 HA ALA A 91 2.543 -0.515 -14.549 1.00 0.00 H new ATOM 0 HB1 ALA A 91 2.400 -2.985 -14.483 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.779 -2.249 -14.483 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.430 -2.970 -15.975 1.00 0.00 H new ATOM 1476 N PHE A 92 3.456 -2.059 -17.337 1.00 0.00 N ATOM 1477 CA PHE A 92 4.649 -2.325 -18.189 1.00 0.00 C ATOM 1478 C PHE A 92 5.041 -1.045 -18.932 1.00 0.00 C ATOM 1479 O PHE A 92 4.906 -0.947 -20.136 1.00 0.00 O ATOM 1480 CB PHE A 92 4.313 -3.426 -19.196 1.00 0.00 C ATOM 1481 CG PHE A 92 3.483 -4.486 -18.513 1.00 0.00 C ATOM 1482 CD1 PHE A 92 4.021 -5.216 -17.446 1.00 0.00 C ATOM 1483 CD2 PHE A 92 2.174 -4.736 -18.941 1.00 0.00 C ATOM 1484 CE1 PHE A 92 3.252 -6.196 -16.808 1.00 0.00 C ATOM 1485 CE2 PHE A 92 1.404 -5.717 -18.303 1.00 0.00 C ATOM 1486 CZ PHE A 92 1.943 -6.447 -17.237 1.00 0.00 C ATOM 0 H PHE A 92 2.594 -2.510 -17.645 1.00 0.00 H new ATOM 0 HA PHE A 92 5.483 -2.647 -17.565 1.00 0.00 H new ATOM 0 HB2 PHE A 92 3.767 -3.008 -20.041 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.229 -3.864 -19.593 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.031 -5.023 -17.115 1.00 0.00 H new ATOM 0 HD2 PHE A 92 1.758 -4.173 -19.763 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.668 -6.758 -15.985 1.00 0.00 H new ATOM 0 HE2 PHE A 92 0.394 -5.910 -18.634 1.00 0.00 H new ATOM 0 HZ PHE A 92 1.349 -7.204 -16.746 1.00 0.00 H new ATOM 1496 N ARG A 93 5.528 -0.065 -18.220 1.00 0.00 N ATOM 1497 CA ARG A 93 5.932 1.211 -18.875 1.00 0.00 C ATOM 1498 C ARG A 93 6.771 2.035 -17.893 1.00 0.00 C ATOM 1499 O ARG A 93 6.257 2.608 -16.954 1.00 0.00 O ATOM 1500 CB ARG A 93 4.681 2.001 -19.269 1.00 0.00 C ATOM 1501 CG ARG A 93 5.033 3.001 -20.371 1.00 0.00 C ATOM 1502 CD ARG A 93 5.277 2.250 -21.681 1.00 0.00 C ATOM 1503 NE ARG A 93 6.402 2.891 -22.419 1.00 0.00 N ATOM 1504 CZ ARG A 93 7.626 2.482 -22.226 1.00 0.00 C ATOM 1505 NH1 ARG A 93 7.919 1.217 -22.363 1.00 0.00 N ATOM 1506 NH2 ARG A 93 8.555 3.336 -21.898 1.00 0.00 N ATOM 0 H ARG A 93 5.664 -0.094 -17.209 1.00 0.00 H new ATOM 0 HA ARG A 93 6.519 0.997 -19.768 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.903 1.321 -19.616 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.282 2.526 -18.401 1.00 0.00 H new ATOM 0 HG2 ARG A 93 4.223 3.720 -20.497 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.922 3.567 -20.093 1.00 0.00 H new ATOM 0 HD2 ARG A 93 5.511 1.205 -21.476 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.374 2.260 -22.292 1.00 0.00 H new ATOM 0 HE ARG A 93 6.215 3.649 -23.075 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.192 0.550 -22.621 1.00 0.00 H new ATOM 0 HH12 ARG A 93 8.875 0.896 -22.212 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.325 4.324 -21.792 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.512 3.016 -21.747 1.00 0.00 H new ATOM 1520 N LYS A 94 8.059 2.092 -18.098 1.00 0.00 N ATOM 1521 CA LYS A 94 8.926 2.872 -17.168 1.00 0.00 C ATOM 1522 C LYS A 94 9.054 4.315 -17.661 1.00 0.00 C ATOM 1523 O LYS A 94 8.497 4.690 -18.674 1.00 0.00 O ATOM 1524 CB LYS A 94 10.316 2.234 -17.108 1.00 0.00 C ATOM 1525 CG LYS A 94 10.203 0.802 -16.579 1.00 0.00 C ATOM 1526 CD LYS A 94 11.540 0.380 -15.966 1.00 0.00 C ATOM 1527 CE LYS A 94 11.790 -1.102 -16.253 1.00 0.00 C ATOM 1528 NZ LYS A 94 11.999 -1.298 -17.714 1.00 0.00 N ATOM 0 H LYS A 94 8.548 1.634 -18.867 1.00 0.00 H new ATOM 0 HA LYS A 94 8.476 2.868 -16.175 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.769 2.231 -18.100 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.969 2.821 -16.461 1.00 0.00 H new ATOM 0 HG2 LYS A 94 9.412 0.740 -15.832 1.00 0.00 H new ATOM 0 HG3 LYS A 94 9.931 0.124 -17.388 1.00 0.00 H new ATOM 0 HD2 LYS A 94 12.348 0.983 -16.380 1.00 0.00 H new ATOM 0 HD3 LYS A 94 11.530 0.556 -14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 94 12.664 -1.448 -15.701 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.942 -1.697 -15.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.648 -2.096 -17.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 11.087 -1.500 -18.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.409 -0.435 -18.125 1.00 0.00 H new ATOM 1542 N ARG A 95 9.794 5.125 -16.950 1.00 0.00 N ATOM 1543 CA ARG A 95 9.971 6.543 -17.370 1.00 0.00 C ATOM 1544 C ARG A 95 11.394 6.737 -17.900 1.00 0.00 C ATOM 1545 O ARG A 95 12.312 6.046 -17.504 1.00 0.00 O ATOM 1546 CB ARG A 95 9.745 7.465 -16.168 1.00 0.00 C ATOM 1547 CG ARG A 95 8.311 7.304 -15.657 1.00 0.00 C ATOM 1548 CD ARG A 95 8.231 7.779 -14.205 1.00 0.00 C ATOM 1549 NE ARG A 95 6.839 7.609 -13.701 1.00 0.00 N ATOM 1550 CZ ARG A 95 6.206 8.624 -13.178 1.00 0.00 C ATOM 1551 NH1 ARG A 95 6.755 9.307 -12.210 1.00 0.00 N ATOM 1552 NH2 ARG A 95 5.024 8.954 -13.620 1.00 0.00 N ATOM 0 H ARG A 95 10.284 4.863 -16.095 1.00 0.00 H new ATOM 0 HA ARG A 95 9.251 6.785 -18.152 1.00 0.00 H new ATOM 0 HB2 ARG A 95 10.453 7.225 -15.375 1.00 0.00 H new ATOM 0 HB3 ARG A 95 9.926 8.501 -16.453 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.625 7.881 -16.278 1.00 0.00 H new ATOM 0 HG3 ARG A 95 8.004 6.261 -15.727 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.925 7.210 -13.586 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.528 8.825 -14.137 1.00 0.00 H new ATOM 0 HE ARG A 95 6.381 6.700 -13.765 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.678 9.048 -11.863 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.261 10.100 -11.801 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.594 8.419 -14.374 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.530 9.747 -13.211 1.00 0.00 H new ATOM 1566 N ARG A 96 11.587 7.670 -18.791 1.00 0.00 N ATOM 1567 CA ARG A 96 12.952 7.900 -19.343 1.00 0.00 C ATOM 1568 C ARG A 96 13.291 9.390 -19.257 1.00 0.00 C ATOM 1569 O ARG A 96 12.858 10.183 -20.069 1.00 0.00 O ATOM 1570 CB ARG A 96 12.993 7.449 -20.805 1.00 0.00 C ATOM 1571 CG ARG A 96 14.082 6.390 -20.984 1.00 0.00 C ATOM 1572 CD ARG A 96 15.329 7.037 -21.589 1.00 0.00 C ATOM 1573 NE ARG A 96 15.250 6.973 -23.076 1.00 0.00 N ATOM 1574 CZ ARG A 96 16.108 6.250 -23.743 1.00 0.00 C ATOM 1575 NH1 ARG A 96 17.374 6.284 -23.428 1.00 0.00 N ATOM 1576 NH2 ARG A 96 15.701 5.493 -24.726 1.00 0.00 N ATOM 0 H ARG A 96 10.860 8.282 -19.160 1.00 0.00 H new ATOM 0 HA ARG A 96 13.680 7.328 -18.767 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.025 7.043 -21.098 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.191 8.302 -21.454 1.00 0.00 H new ATOM 0 HG2 ARG A 96 14.325 5.937 -20.023 1.00 0.00 H new ATOM 0 HG3 ARG A 96 13.723 5.590 -21.632 1.00 0.00 H new ATOM 0 HD2 ARG A 96 15.408 8.074 -21.263 1.00 0.00 H new ATOM 0 HD3 ARG A 96 16.224 6.523 -21.239 1.00 0.00 H new ATOM 0 HE ARG A 96 14.526 7.494 -23.572 1.00 0.00 H new ATOM 0 HH11 ARG A 96 17.693 6.875 -22.661 1.00 0.00 H new ATOM 0 HH12 ARG A 96 18.045 5.719 -23.949 1.00 0.00 H new ATOM 0 HH21 ARG A 96 14.712 5.466 -24.973 1.00 0.00 H new ATOM 0 HH22 ARG A 96 16.372 4.928 -25.247 1.00 0.00 H new ATOM 1590 N GLN A 97 14.065 9.777 -18.280 1.00 0.00 N ATOM 1591 CA GLN A 97 14.432 11.216 -18.145 1.00 0.00 C ATOM 1592 C GLN A 97 15.952 11.366 -18.236 1.00 0.00 C ATOM 1593 O GLN A 97 16.697 10.524 -17.776 1.00 0.00 O ATOM 1594 CB GLN A 97 13.946 11.743 -16.792 1.00 0.00 C ATOM 1595 CG GLN A 97 14.343 13.213 -16.642 1.00 0.00 C ATOM 1596 CD GLN A 97 13.085 14.085 -16.616 1.00 0.00 C ATOM 1597 OE1 GLN A 97 12.408 14.225 -17.615 1.00 0.00 O ATOM 1598 NE2 GLN A 97 12.743 14.685 -15.508 1.00 0.00 N ATOM 0 H GLN A 97 14.459 9.160 -17.570 1.00 0.00 H new ATOM 0 HA GLN A 97 13.963 11.787 -18.946 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.864 11.639 -16.717 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.380 11.154 -15.984 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.914 13.354 -15.725 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.988 13.512 -17.468 1.00 0.00 H new ATOM 0 HE21 GLN A 97 13.311 14.568 -14.669 1.00 0.00 H new ATOM 0 HE22 GLN A 97 11.908 15.271 -15.482 1.00 0.00 H new ATOM 1607 N ARG A 98 16.416 12.433 -18.825 1.00 0.00 N ATOM 1608 CA ARG A 98 17.887 12.638 -18.944 1.00 0.00 C ATOM 1609 C ARG A 98 18.240 14.057 -18.493 1.00 0.00 C ATOM 1610 O ARG A 98 17.825 15.030 -19.089 1.00 0.00 O ATOM 1611 CB ARG A 98 18.310 12.446 -20.402 1.00 0.00 C ATOM 1612 CG ARG A 98 19.499 11.484 -20.468 1.00 0.00 C ATOM 1613 CD ARG A 98 19.090 10.219 -21.224 1.00 0.00 C ATOM 1614 NE ARG A 98 20.175 9.836 -22.173 1.00 0.00 N ATOM 1615 CZ ARG A 98 20.799 8.698 -22.026 1.00 0.00 C ATOM 1616 NH1 ARG A 98 20.310 7.614 -22.562 1.00 0.00 N ATOM 1617 NH2 ARG A 98 21.910 8.646 -21.344 1.00 0.00 N ATOM 0 H ARG A 98 15.840 13.172 -19.229 1.00 0.00 H new ATOM 0 HA ARG A 98 18.409 11.916 -18.316 1.00 0.00 H new ATOM 0 HB2 ARG A 98 17.477 12.052 -20.984 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.581 13.406 -20.842 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.341 11.963 -20.968 1.00 0.00 H new ATOM 0 HG3 ARG A 98 19.830 11.228 -19.461 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.903 9.407 -20.522 1.00 0.00 H new ATOM 0 HD3 ARG A 98 18.161 10.391 -21.767 1.00 0.00 H new ATOM 0 HE ARG A 98 20.430 10.463 -22.937 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.441 7.656 -23.095 1.00 0.00 H new ATOM 0 HH12 ARG A 98 20.796 6.725 -22.448 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.292 9.494 -20.925 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.397 7.757 -21.229 1.00 0.00 H new ATOM 1631 N GLY A 99 19.005 14.182 -17.443 1.00 0.00 N ATOM 1632 CA GLY A 99 19.383 15.537 -16.953 1.00 0.00 C ATOM 1633 C GLY A 99 20.829 15.513 -16.457 1.00 0.00 C ATOM 1634 O GLY A 99 21.107 15.120 -15.340 1.00 0.00 O ATOM 0 H GLY A 99 19.384 13.404 -16.904 1.00 0.00 H new ATOM 0 HA2 GLY A 99 19.274 16.269 -17.753 1.00 0.00 H new ATOM 0 HA3 GLY A 99 18.716 15.844 -16.147 1.00 0.00 H new ATOM 1638 N VAL A 100 21.756 15.930 -17.277 1.00 0.00 N ATOM 1639 CA VAL A 100 23.183 15.928 -16.850 1.00 0.00 C ATOM 1640 C VAL A 100 23.825 17.269 -17.213 1.00 0.00 C ATOM 1641 O VAL A 100 24.633 17.800 -16.478 1.00 0.00 O ATOM 1642 CB VAL A 100 23.925 14.797 -17.561 1.00 0.00 C ATOM 1643 CG1 VAL A 100 23.426 13.449 -17.035 1.00 0.00 C ATOM 1644 CG2 VAL A 100 23.662 14.883 -19.067 1.00 0.00 C ATOM 0 H VAL A 100 21.586 16.271 -18.223 1.00 0.00 H new ATOM 0 HA VAL A 100 23.241 15.778 -15.772 1.00 0.00 H new ATOM 0 HB VAL A 100 24.994 14.889 -17.371 1.00 0.00 H new ATOM 0 HG11 VAL A 100 23.955 12.642 -17.542 1.00 0.00 H new ATOM 0 HG12 VAL A 100 23.610 13.386 -15.963 1.00 0.00 H new ATOM 0 HG13 VAL A 100 22.357 13.357 -17.225 1.00 0.00 H new ATOM 0 HG21 VAL A 100 24.191 14.077 -19.575 1.00 0.00 H new ATOM 0 HG22 VAL A 100 22.592 14.791 -19.255 1.00 0.00 H new ATOM 0 HG23 VAL A 100 24.015 15.843 -19.444 1.00 0.00 H new ATOM 1654 N SER A 101 23.472 17.822 -18.342 1.00 0.00 N ATOM 1655 CA SER A 101 24.064 19.128 -18.747 1.00 0.00 C ATOM 1656 C SER A 101 23.932 20.125 -17.594 1.00 0.00 C ATOM 1657 O SER A 101 22.936 20.828 -17.556 1.00 0.00 O ATOM 1658 CB SER A 101 23.325 19.667 -19.973 1.00 0.00 C ATOM 1659 OG SER A 101 23.075 18.599 -20.877 1.00 0.00 O ATOM 1660 OXT SER A 101 24.830 20.170 -16.770 1.00 0.00 O ATOM 0 H SER A 101 22.800 17.426 -19.000 1.00 0.00 H new ATOM 0 HA SER A 101 25.117 18.989 -18.991 1.00 0.00 H new ATOM 0 HB2 SER A 101 22.386 20.131 -19.671 1.00 0.00 H new ATOM 0 HB3 SER A 101 23.920 20.440 -20.460 1.00 0.00 H new ATOM 0 HG SER A 101 22.600 18.940 -21.663 1.00 0.00 H new TER 1666 SER A 101