USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=25 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 -118:sc= 1.33 USER MOD Set 1.2: A 54 ASN : amide:sc= -6.22! C(o=-12!,f=-9.5!) USER MOD Set 1.3: A 58 ASN : amide:sc= -7.29! C(o=-12!,f=-9.8!) USER MOD Set 2.1: A 2 SER OG : rot 71:sc= 1.08 USER MOD Set 2.2: A 39 TYR OH : rot 85:sc= -0.129 USER MOD Set 3.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 8 TYR OH : rot 16:sc= -0.543! USER MOD Set 3.3: A 40 TYR OH : rot -22:sc= -0.196 USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 30:sc= -0.723 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -5.01! C(o=-5!,f=-4.8!) USER MOD Single : A 14 GLN : amide:sc= -0.605 X(o=-0.6,f=-0.41) USER MOD Single : A 17 SER OG : rot 100:sc= -0.174 USER MOD Single : A 18 SER OG : rot 97:sc= 0.688 USER MOD Single : A 20 GLN : amide:sc= -1.02 K(o=-1,f=-2!) USER MOD Single : A 23 GLN : amide:sc= -0.0058 K(o=-0.0058,f=-2!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot -52:sc= 1.26 USER MOD Single : A 32 HIS : no HD1:sc= -4.67! K(o=-4.7!,f=-3.1) USER MOD Single : A 34 THR OG1 : rot -85:sc= -0.0193! USER MOD Single : A 35 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.00188) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 37 TYR OH : rot 38:sc= -0.0444 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= -0.213 (180deg=-1.21!) USER MOD Single : A 48 GLN : amide:sc= -3.77! C(o=-3.8!,f=-3.4!) USER MOD Single : A 49 ASN : amide:sc= -2.42! C(o=-2.4!,f=-11!) USER MOD Single : A 53 HIS : no HD1:sc= -0.602 X(o=-0.6,f=-0.12) USER MOD Single : A 56 SER OG : rot -87:sc= -0.313 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0544) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.61! C(o=-1.6!,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0404) USER MOD Single : A 90 GLN : amide:sc= -0.0959 X(o=-0.096,f=-0.4) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0.0848 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 15.294 15.381 -7.756 1.00 0.00 N ATOM 2 CA GLU A 1 15.239 13.923 -8.061 1.00 0.00 C ATOM 3 C GLU A 1 15.385 13.125 -6.764 1.00 0.00 C ATOM 4 O GLU A 1 16.265 12.298 -6.628 1.00 0.00 O ATOM 5 CB GLU A 1 16.380 13.561 -9.014 1.00 0.00 C ATOM 6 CG GLU A 1 15.812 13.269 -10.404 1.00 0.00 C ATOM 7 CD GLU A 1 15.523 11.773 -10.535 1.00 0.00 C ATOM 8 OE1 GLU A 1 14.672 11.289 -9.807 1.00 0.00 O ATOM 9 OE2 GLU A 1 16.159 11.136 -11.358 1.00 0.00 O ATOM 0 H1 GLU A 1 15.195 15.924 -8.637 1.00 0.00 H new ATOM 0 H2 GLU A 1 14.520 15.629 -7.107 1.00 0.00 H new ATOM 0 H3 GLU A 1 16.206 15.608 -7.310 1.00 0.00 H new ATOM 0 HA GLU A 1 14.284 13.684 -8.528 1.00 0.00 H new ATOM 0 HB2 GLU A 1 17.097 14.380 -9.067 1.00 0.00 H new ATOM 0 HB3 GLU A 1 16.918 12.690 -8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 1 14.898 13.842 -10.562 1.00 0.00 H new ATOM 0 HG3 GLU A 1 16.521 13.581 -11.171 1.00 0.00 H new ATOM 18 N SER A 2 14.531 13.368 -5.807 1.00 0.00 N ATOM 19 CA SER A 2 14.623 12.622 -4.520 1.00 0.00 C ATOM 20 C SER A 2 13.408 11.705 -4.367 1.00 0.00 C ATOM 21 O SER A 2 12.764 11.683 -3.340 1.00 0.00 O ATOM 22 CB SER A 2 14.660 13.616 -3.358 1.00 0.00 C ATOM 23 OG SER A 2 13.345 14.089 -3.103 1.00 0.00 O ATOM 0 H SER A 2 13.775 14.050 -5.861 1.00 0.00 H new ATOM 0 HA SER A 2 15.532 12.020 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.066 13.137 -2.467 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.319 14.450 -3.599 1.00 0.00 H new ATOM 0 HG SER A 2 12.809 13.369 -2.710 1.00 0.00 H new ATOM 29 N LYS A 3 13.090 10.946 -5.381 1.00 0.00 N ATOM 30 CA LYS A 3 11.915 10.030 -5.286 1.00 0.00 C ATOM 31 C LYS A 3 12.171 8.786 -6.143 1.00 0.00 C ATOM 32 O LYS A 3 11.692 8.695 -7.256 1.00 0.00 O ATOM 33 CB LYS A 3 10.661 10.747 -5.789 1.00 0.00 C ATOM 34 CG LYS A 3 9.523 10.555 -4.784 1.00 0.00 C ATOM 35 CD LYS A 3 8.179 10.646 -5.509 1.00 0.00 C ATOM 36 CE LYS A 3 7.851 12.111 -5.798 1.00 0.00 C ATOM 37 NZ LYS A 3 6.375 12.313 -5.739 1.00 0.00 N ATOM 0 H LYS A 3 13.591 10.920 -6.269 1.00 0.00 H new ATOM 0 HA LYS A 3 11.768 9.735 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.866 11.809 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.370 10.353 -6.763 1.00 0.00 H new ATOM 0 HG2 LYS A 3 9.618 9.587 -4.292 1.00 0.00 H new ATOM 0 HG3 LYS A 3 9.580 11.315 -4.005 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.218 10.081 -6.440 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.394 10.201 -4.898 1.00 0.00 H new ATOM 0 HE2 LYS A 3 8.346 12.755 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.228 12.392 -6.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 6.153 13.310 -5.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 5.913 11.709 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 6.028 12.061 -4.791 1.00 0.00 H new ATOM 51 N PRO A 4 12.927 7.863 -5.592 1.00 0.00 N ATOM 52 CA PRO A 4 13.284 6.595 -6.265 1.00 0.00 C ATOM 53 C PRO A 4 12.373 5.378 -5.914 1.00 0.00 C ATOM 54 O PRO A 4 12.846 4.263 -6.006 1.00 0.00 O ATOM 55 CB PRO A 4 14.672 6.310 -5.687 1.00 0.00 C ATOM 56 CG PRO A 4 14.740 7.044 -4.318 1.00 0.00 C ATOM 57 CD PRO A 4 13.555 8.026 -4.273 1.00 0.00 C ATOM 0 HA PRO A 4 13.200 6.706 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.827 5.238 -5.561 1.00 0.00 H new ATOM 0 HB3 PRO A 4 15.453 6.668 -6.358 1.00 0.00 H new ATOM 0 HG2 PRO A 4 14.681 6.331 -3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 4 15.686 7.576 -4.212 1.00 0.00 H new ATOM 0 HD2 PRO A 4 12.863 7.784 -3.466 1.00 0.00 H new ATOM 0 HD3 PRO A 4 13.888 9.051 -4.111 1.00 0.00 H new ATOM 65 N PRO A 5 11.123 5.566 -5.525 1.00 0.00 N ATOM 66 CA PRO A 5 10.252 4.422 -5.188 1.00 0.00 C ATOM 67 C PRO A 5 9.772 3.710 -6.454 1.00 0.00 C ATOM 68 O PRO A 5 10.161 4.043 -7.555 1.00 0.00 O ATOM 69 CB PRO A 5 9.081 5.053 -4.436 1.00 0.00 C ATOM 70 CG PRO A 5 9.049 6.537 -4.855 1.00 0.00 C ATOM 71 CD PRO A 5 10.457 6.872 -5.384 1.00 0.00 C ATOM 0 HA PRO A 5 10.766 3.664 -4.597 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.144 4.557 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.213 4.956 -3.358 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.295 6.707 -5.624 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.791 7.174 -4.009 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.407 7.396 -6.338 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.996 7.519 -4.692 1.00 0.00 H new ATOM 79 N TYR A 6 8.934 2.721 -6.299 1.00 0.00 N ATOM 80 CA TYR A 6 8.433 1.970 -7.480 1.00 0.00 C ATOM 81 C TYR A 6 7.320 2.751 -8.169 1.00 0.00 C ATOM 82 O TYR A 6 6.661 3.577 -7.568 1.00 0.00 O ATOM 83 CB TYR A 6 7.890 0.619 -7.017 1.00 0.00 C ATOM 84 CG TYR A 6 8.805 0.048 -5.962 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.004 -0.567 -6.340 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.454 0.127 -4.608 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.853 -1.104 -5.366 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.304 -0.409 -3.634 1.00 0.00 C ATOM 89 CZ TYR A 6 10.504 -1.026 -4.013 1.00 0.00 C ATOM 90 OH TYR A 6 11.340 -1.557 -3.054 1.00 0.00 O ATOM 0 H TYR A 6 8.575 2.401 -5.400 1.00 0.00 H new ATOM 0 HA TYR A 6 9.251 1.824 -8.185 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.883 0.737 -6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.819 -0.066 -7.862 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.274 -0.627 -7.384 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.528 0.601 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.778 -1.579 -5.658 1.00 0.00 H new ATOM 0 HE2 TYR A 6 9.035 -0.347 -2.590 1.00 0.00 H new ATOM 0 HH TYR A 6 12.268 -1.508 -3.366 1.00 0.00 H new ATOM 100 N SER A 7 7.094 2.488 -9.428 1.00 0.00 N ATOM 101 CA SER A 7 6.011 3.209 -10.145 1.00 0.00 C ATOM 102 C SER A 7 4.755 3.135 -9.287 1.00 0.00 C ATOM 103 O SER A 7 4.727 2.450 -8.290 1.00 0.00 O ATOM 104 CB SER A 7 5.754 2.542 -11.498 1.00 0.00 C ATOM 105 OG SER A 7 6.591 3.137 -12.481 1.00 0.00 O ATOM 0 H SER A 7 7.611 1.808 -9.986 1.00 0.00 H new ATOM 0 HA SER A 7 6.293 4.247 -10.318 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.953 1.472 -11.433 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.707 2.654 -11.779 1.00 0.00 H new ATOM 0 HG SER A 7 6.430 2.711 -13.349 1.00 0.00 H new ATOM 111 N TYR A 8 3.720 3.833 -9.642 1.00 0.00 N ATOM 112 CA TYR A 8 2.492 3.783 -8.806 1.00 0.00 C ATOM 113 C TYR A 8 1.600 2.625 -9.259 1.00 0.00 C ATOM 114 O TYR A 8 0.471 2.488 -8.831 1.00 0.00 O ATOM 115 CB TYR A 8 1.771 5.122 -8.909 1.00 0.00 C ATOM 116 CG TYR A 8 2.671 6.178 -8.313 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.315 5.928 -7.094 1.00 0.00 C ATOM 118 CD2 TYR A 8 2.883 7.387 -8.982 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.171 6.887 -6.545 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.738 8.350 -8.429 1.00 0.00 C ATOM 121 CZ TYR A 8 4.383 8.100 -7.212 1.00 0.00 C ATOM 122 OH TYR A 8 5.232 9.046 -6.673 1.00 0.00 O ATOM 0 H TYR A 8 3.668 4.431 -10.466 1.00 0.00 H new ATOM 0 HA TYR A 8 2.751 3.608 -7.762 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.545 5.355 -9.950 1.00 0.00 H new ATOM 0 HB3 TYR A 8 0.820 5.086 -8.377 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.150 4.994 -6.578 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.389 7.579 -9.923 1.00 0.00 H new ATOM 0 HE1 TYR A 8 4.669 6.693 -5.607 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.899 9.286 -8.943 1.00 0.00 H new ATOM 0 HH TYR A 8 5.788 8.630 -5.982 1.00 0.00 H new ATOM 132 N ALA A 9 2.121 1.771 -10.097 1.00 0.00 N ATOM 133 CA ALA A 9 1.342 0.587 -10.560 1.00 0.00 C ATOM 134 C ALA A 9 2.048 -0.665 -10.034 1.00 0.00 C ATOM 135 O ALA A 9 1.430 -1.650 -9.685 1.00 0.00 O ATOM 136 CB ALA A 9 1.301 0.557 -12.089 1.00 0.00 C ATOM 0 H ALA A 9 3.062 1.844 -10.484 1.00 0.00 H new ATOM 0 HA ALA A 9 0.318 0.634 -10.190 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.730 -0.310 -12.421 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.827 1.466 -12.458 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.317 0.494 -12.479 1.00 0.00 H new ATOM 142 N GLN A 10 3.350 -0.600 -9.945 1.00 0.00 N ATOM 143 CA GLN A 10 4.143 -1.740 -9.409 1.00 0.00 C ATOM 144 C GLN A 10 4.281 -1.520 -7.909 1.00 0.00 C ATOM 145 O GLN A 10 4.372 -2.446 -7.129 1.00 0.00 O ATOM 146 CB GLN A 10 5.528 -1.745 -10.061 1.00 0.00 C ATOM 147 CG GLN A 10 6.299 -2.983 -9.610 1.00 0.00 C ATOM 148 CD GLN A 10 7.621 -2.556 -8.970 1.00 0.00 C ATOM 149 OE1 GLN A 10 7.680 -2.296 -7.784 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.692 -2.469 -9.710 1.00 0.00 N ATOM 0 H GLN A 10 3.904 0.209 -10.226 1.00 0.00 H new ATOM 0 HA GLN A 10 3.657 -2.693 -9.618 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.431 -1.740 -11.147 1.00 0.00 H new ATOM 0 HB3 GLN A 10 6.074 -0.843 -9.786 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.705 -3.554 -8.897 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.489 -3.636 -10.462 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.643 -2.687 -10.705 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.578 -2.183 -9.293 1.00 0.00 H new ATOM 159 N LEU A 11 4.268 -0.279 -7.510 1.00 0.00 N ATOM 160 CA LEU A 11 4.367 0.052 -6.071 1.00 0.00 C ATOM 161 C LEU A 11 3.127 -0.505 -5.381 1.00 0.00 C ATOM 162 O LEU A 11 3.175 -0.992 -4.270 1.00 0.00 O ATOM 163 CB LEU A 11 4.412 1.572 -5.932 1.00 0.00 C ATOM 164 CG LEU A 11 4.335 1.975 -4.467 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.747 2.074 -3.905 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.657 3.338 -4.368 1.00 0.00 C ATOM 0 H LEU A 11 4.192 0.526 -8.131 1.00 0.00 H new ATOM 0 HA LEU A 11 5.262 -0.376 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.332 1.956 -6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.584 2.018 -6.482 1.00 0.00 H new ATOM 0 HG LEU A 11 3.766 1.236 -3.903 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.701 2.363 -2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.243 1.107 -3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.309 2.823 -4.463 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.595 3.639 -3.322 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.238 4.074 -4.924 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.653 3.276 -4.787 1.00 0.00 H new ATOM 178 N ILE A 12 2.013 -0.449 -6.057 1.00 0.00 N ATOM 179 CA ILE A 12 0.751 -0.990 -5.477 1.00 0.00 C ATOM 180 C ILE A 12 0.858 -2.502 -5.375 1.00 0.00 C ATOM 181 O ILE A 12 0.581 -3.097 -4.355 1.00 0.00 O ATOM 182 CB ILE A 12 -0.425 -0.693 -6.394 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.228 0.624 -7.153 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.701 -0.628 -5.565 1.00 0.00 C ATOM 185 CD1 ILE A 12 0.270 1.720 -6.221 1.00 0.00 C ATOM 0 H ILE A 12 1.922 -0.050 -6.991 1.00 0.00 H new ATOM 0 HA ILE A 12 0.599 -0.529 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.498 -1.492 -7.132 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.486 0.478 -7.963 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.170 0.929 -7.609 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.548 -0.415 -6.217 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.859 -1.584 -5.065 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.610 0.161 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.402 2.644 -6.784 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.458 1.880 -5.426 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.223 1.422 -5.785 1.00 0.00 H new ATOM 197 N VAL A 13 1.230 -3.128 -6.452 1.00 0.00 N ATOM 198 CA VAL A 13 1.334 -4.606 -6.462 1.00 0.00 C ATOM 199 C VAL A 13 2.169 -5.067 -5.275 1.00 0.00 C ATOM 200 O VAL A 13 1.922 -6.105 -4.705 1.00 0.00 O ATOM 201 CB VAL A 13 1.994 -5.035 -7.763 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.193 -6.551 -7.761 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.086 -4.624 -8.924 1.00 0.00 C ATOM 0 H VAL A 13 1.468 -2.673 -7.333 1.00 0.00 H new ATOM 0 HA VAL A 13 0.343 -5.054 -6.387 1.00 0.00 H new ATOM 0 HB VAL A 13 2.968 -4.557 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.666 -6.857 -8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.829 -6.833 -6.922 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.226 -7.045 -7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.543 -4.924 -9.867 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.117 -5.113 -8.819 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.950 -3.543 -8.914 1.00 0.00 H new ATOM 213 N GLN A 14 3.142 -4.303 -4.879 1.00 0.00 N ATOM 214 CA GLN A 14 3.952 -4.714 -3.705 1.00 0.00 C ATOM 215 C GLN A 14 3.134 -4.449 -2.441 1.00 0.00 C ATOM 216 O GLN A 14 3.219 -5.169 -1.467 1.00 0.00 O ATOM 217 CB GLN A 14 5.246 -3.905 -3.656 1.00 0.00 C ATOM 218 CG GLN A 14 6.289 -4.670 -2.840 1.00 0.00 C ATOM 219 CD GLN A 14 7.684 -4.163 -3.200 1.00 0.00 C ATOM 220 OE1 GLN A 14 8.662 -4.859 -3.017 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.817 -2.969 -3.707 1.00 0.00 N ATOM 0 H GLN A 14 3.410 -3.419 -5.312 1.00 0.00 H new ATOM 0 HA GLN A 14 4.204 -5.772 -3.778 1.00 0.00 H new ATOM 0 HB2 GLN A 14 5.616 -3.728 -4.666 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.061 -2.929 -3.208 1.00 0.00 H new ATOM 0 HG2 GLN A 14 6.104 -4.535 -1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.214 -5.738 -3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.995 -2.385 -3.860 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.743 -2.619 -3.950 1.00 0.00 H new ATOM 230 N ALA A 15 2.346 -3.407 -2.456 1.00 0.00 N ATOM 231 CA ALA A 15 1.516 -3.061 -1.267 1.00 0.00 C ATOM 232 C ALA A 15 0.517 -4.186 -0.953 1.00 0.00 C ATOM 233 O ALA A 15 0.450 -4.658 0.164 1.00 0.00 O ATOM 234 CB ALA A 15 0.751 -1.763 -1.544 1.00 0.00 C ATOM 0 H ALA A 15 2.242 -2.775 -3.250 1.00 0.00 H new ATOM 0 HA ALA A 15 2.174 -2.931 -0.408 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.143 -1.507 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.459 -0.958 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.106 -1.899 -2.412 1.00 0.00 H new ATOM 240 N ILE A 16 -0.269 -4.616 -1.909 1.00 0.00 N ATOM 241 CA ILE A 16 -1.257 -5.703 -1.602 1.00 0.00 C ATOM 242 C ILE A 16 -0.597 -7.074 -1.719 1.00 0.00 C ATOM 243 O ILE A 16 -0.933 -7.992 -0.997 1.00 0.00 O ATOM 244 CB ILE A 16 -2.469 -5.646 -2.540 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.077 -5.182 -3.944 1.00 0.00 C ATOM 246 CG2 ILE A 16 -3.507 -4.678 -1.974 1.00 0.00 C ATOM 247 CD1 ILE A 16 -1.176 -6.214 -4.621 1.00 0.00 C ATOM 0 H ILE A 16 -0.273 -4.272 -2.869 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.601 -5.546 -0.580 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.880 -6.653 -2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.973 -5.025 -4.544 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.561 -4.224 -3.885 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.368 -4.637 -2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.826 -5.021 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.068 -3.684 -1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.909 -5.865 -5.618 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -0.271 -6.350 -4.029 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -1.705 -7.164 -4.699 1.00 0.00 H new ATOM 259 N SER A 17 0.348 -7.230 -2.600 1.00 0.00 N ATOM 260 CA SER A 17 1.021 -8.549 -2.714 1.00 0.00 C ATOM 261 C SER A 17 1.780 -8.775 -1.418 1.00 0.00 C ATOM 262 O SER A 17 2.130 -9.883 -1.062 1.00 0.00 O ATOM 263 CB SER A 17 1.998 -8.543 -3.890 1.00 0.00 C ATOM 264 OG SER A 17 1.282 -8.299 -5.094 1.00 0.00 O ATOM 0 H SER A 17 0.681 -6.509 -3.240 1.00 0.00 H new ATOM 0 HA SER A 17 0.291 -9.340 -2.885 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.757 -7.775 -3.743 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.519 -9.499 -3.950 1.00 0.00 H new ATOM 0 HG SER A 17 1.371 -7.355 -5.342 1.00 0.00 H new ATOM 270 N SER A 18 2.023 -7.711 -0.702 1.00 0.00 N ATOM 271 CA SER A 18 2.743 -7.823 0.586 1.00 0.00 C ATOM 272 C SER A 18 1.766 -7.557 1.728 1.00 0.00 C ATOM 273 O SER A 18 2.113 -7.682 2.885 1.00 0.00 O ATOM 274 CB SER A 18 3.870 -6.793 0.633 1.00 0.00 C ATOM 275 OG SER A 18 4.799 -7.066 -0.407 1.00 0.00 O ATOM 0 H SER A 18 1.749 -6.763 -0.962 1.00 0.00 H new ATOM 0 HA SER A 18 3.164 -8.824 0.685 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.464 -5.788 0.519 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.370 -6.828 1.601 1.00 0.00 H new ATOM 0 HG SER A 18 4.597 -6.502 -1.182 1.00 0.00 H new ATOM 281 N ALA A 19 0.539 -7.198 1.427 1.00 0.00 N ATOM 282 CA ALA A 19 -0.419 -6.943 2.533 1.00 0.00 C ATOM 283 C ALA A 19 -1.113 -8.255 2.880 1.00 0.00 C ATOM 284 O ALA A 19 -1.479 -9.009 2.001 1.00 0.00 O ATOM 285 CB ALA A 19 -1.460 -5.914 2.087 1.00 0.00 C ATOM 0 H ALA A 19 0.172 -7.075 0.483 1.00 0.00 H new ATOM 0 HA ALA A 19 0.109 -6.555 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.161 -5.729 2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.960 -4.983 1.820 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.001 -6.296 1.221 1.00 0.00 H new ATOM 291 N GLN A 20 -1.304 -8.539 4.145 1.00 0.00 N ATOM 292 CA GLN A 20 -1.988 -9.811 4.515 1.00 0.00 C ATOM 293 C GLN A 20 -3.179 -9.985 3.578 1.00 0.00 C ATOM 294 O GLN A 20 -3.316 -10.983 2.899 1.00 0.00 O ATOM 295 CB GLN A 20 -2.478 -9.736 5.965 1.00 0.00 C ATOM 296 CG GLN A 20 -1.409 -9.078 6.844 1.00 0.00 C ATOM 297 CD GLN A 20 -0.032 -9.660 6.508 1.00 0.00 C ATOM 298 OE1 GLN A 20 0.094 -10.838 6.240 1.00 0.00 O ATOM 299 NE2 GLN A 20 1.011 -8.876 6.512 1.00 0.00 N ATOM 0 H GLN A 20 -1.019 -7.951 4.928 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.302 -10.653 4.425 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.405 -9.165 6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.700 -10.737 6.335 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.407 -8.000 6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -1.637 -9.244 7.897 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.905 -7.887 6.737 1.00 0.00 H new ATOM 0 HE22 GLN A 20 1.933 -9.252 6.290 1.00 0.00 H new ATOM 308 N ASP A 21 -4.016 -8.991 3.512 1.00 0.00 N ATOM 309 CA ASP A 21 -5.177 -9.051 2.592 1.00 0.00 C ATOM 310 C ASP A 21 -4.768 -8.425 1.250 1.00 0.00 C ATOM 311 O ASP A 21 -4.381 -7.274 1.191 1.00 0.00 O ATOM 312 CB ASP A 21 -6.344 -8.265 3.191 1.00 0.00 C ATOM 313 CG ASP A 21 -6.677 -8.821 4.578 1.00 0.00 C ATOM 314 OD1 ASP A 21 -6.892 -10.017 4.679 1.00 0.00 O ATOM 315 OD2 ASP A 21 -6.710 -8.039 5.515 1.00 0.00 O ATOM 0 H ASP A 21 -3.943 -8.134 4.061 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.485 -10.086 2.443 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.085 -7.209 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.216 -8.336 2.540 1.00 0.00 H new ATOM 320 N ARG A 22 -4.846 -9.163 0.173 1.00 0.00 N ATOM 321 CA ARG A 22 -4.460 -8.608 -1.161 1.00 0.00 C ATOM 322 C ARG A 22 -5.325 -7.384 -1.513 1.00 0.00 C ATOM 323 O ARG A 22 -5.116 -6.742 -2.530 1.00 0.00 O ATOM 324 CB ARG A 22 -4.653 -9.688 -2.228 1.00 0.00 C ATOM 325 CG ARG A 22 -3.881 -10.947 -1.824 1.00 0.00 C ATOM 326 CD ARG A 22 -4.164 -12.068 -2.824 1.00 0.00 C ATOM 327 NE ARG A 22 -2.972 -12.960 -2.922 1.00 0.00 N ATOM 328 CZ ARG A 22 -2.260 -13.223 -1.858 1.00 0.00 C ATOM 329 NH1 ARG A 22 -2.801 -13.847 -0.849 1.00 0.00 N ATOM 330 NH2 ARG A 22 -1.009 -12.857 -1.802 1.00 0.00 N ATOM 0 H ARG A 22 -5.162 -10.133 0.159 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.416 -8.297 -1.124 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.712 -9.918 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.301 -9.327 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.812 -10.736 -1.793 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.174 -11.259 -0.821 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.035 -12.641 -2.507 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.398 -11.647 -3.802 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.712 -13.365 -3.821 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.780 -14.130 -0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -2.245 -14.052 -0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -0.586 -12.365 -2.589 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.454 -13.063 -0.971 1.00 0.00 H new ATOM 344 N GLN A 23 -6.290 -7.055 -0.693 1.00 0.00 N ATOM 345 CA GLN A 23 -7.149 -5.875 -0.985 1.00 0.00 C ATOM 346 C GLN A 23 -6.824 -4.756 0.004 1.00 0.00 C ATOM 347 O GLN A 23 -7.260 -4.768 1.137 1.00 0.00 O ATOM 348 CB GLN A 23 -8.625 -6.263 -0.848 1.00 0.00 C ATOM 349 CG GLN A 23 -8.776 -7.351 0.221 1.00 0.00 C ATOM 350 CD GLN A 23 -10.249 -7.742 0.348 1.00 0.00 C ATOM 351 OE1 GLN A 23 -11.064 -7.353 -0.464 1.00 0.00 O ATOM 352 NE2 GLN A 23 -10.629 -8.503 1.339 1.00 0.00 N ATOM 0 H GLN A 23 -6.518 -7.555 0.166 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.960 -5.533 -2.002 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.217 -5.389 -0.577 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -9.007 -6.623 -1.803 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -8.179 -8.223 -0.046 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.401 -6.989 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.946 -8.830 2.022 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.609 -8.770 1.430 1.00 0.00 H new ATOM 361 N LEU A 24 -6.062 -3.784 -0.421 1.00 0.00 N ATOM 362 CA LEU A 24 -5.713 -2.657 0.487 1.00 0.00 C ATOM 363 C LEU A 24 -6.729 -1.537 0.303 1.00 0.00 C ATOM 364 O LEU A 24 -7.350 -1.422 -0.729 1.00 0.00 O ATOM 365 CB LEU A 24 -4.324 -2.121 0.135 1.00 0.00 C ATOM 366 CG LEU A 24 -3.261 -3.077 0.667 1.00 0.00 C ATOM 367 CD1 LEU A 24 -1.875 -2.577 0.257 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.356 -3.132 2.191 1.00 0.00 C ATOM 0 H LEU A 24 -5.666 -3.723 -1.359 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.720 -3.010 1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.226 -2.016 -0.945 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.185 -1.129 0.566 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.421 -4.073 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.115 -3.260 0.637 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.811 -2.532 -0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.710 -1.583 0.672 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.599 -3.814 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -3.192 -2.136 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.345 -3.486 2.481 1.00 0.00 H new ATOM 380 N THR A 25 -6.897 -0.700 1.287 1.00 0.00 N ATOM 381 CA THR A 25 -7.866 0.418 1.144 1.00 0.00 C ATOM 382 C THR A 25 -7.157 1.580 0.451 1.00 0.00 C ATOM 383 O THR A 25 -5.997 1.487 0.106 1.00 0.00 O ATOM 384 CB THR A 25 -8.350 0.860 2.529 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.359 1.676 3.137 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.607 -0.370 3.401 1.00 0.00 C ATOM 0 H THR A 25 -6.407 -0.742 2.181 1.00 0.00 H new ATOM 0 HA THR A 25 -8.727 0.099 0.556 1.00 0.00 H new ATOM 0 HB THR A 25 -9.275 1.427 2.426 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.668 1.961 4.022 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.951 -0.053 4.385 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.369 -0.994 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.684 -0.941 3.506 1.00 0.00 H new ATOM 394 N LEU A 26 -7.830 2.676 0.245 1.00 0.00 N ATOM 395 CA LEU A 26 -7.154 3.825 -0.422 1.00 0.00 C ATOM 396 C LEU A 26 -5.950 4.233 0.427 1.00 0.00 C ATOM 397 O LEU A 26 -4.898 4.567 -0.084 1.00 0.00 O ATOM 398 CB LEU A 26 -8.115 5.015 -0.561 1.00 0.00 C ATOM 399 CG LEU A 26 -8.036 5.564 -1.985 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.183 6.548 -2.219 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.700 6.286 -2.178 1.00 0.00 C ATOM 0 H LEU A 26 -8.805 2.827 0.505 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.835 3.528 -1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.135 4.702 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.854 5.793 0.156 1.00 0.00 H new ATOM 0 HG LEU A 26 -8.113 4.741 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -9.126 6.939 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.135 6.036 -2.080 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.107 7.371 -1.509 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.642 6.678 -3.193 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.625 7.108 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.881 5.586 -2.012 1.00 0.00 H new ATOM 413 N SER A 27 -6.097 4.202 1.724 1.00 0.00 N ATOM 414 CA SER A 27 -4.967 4.579 2.618 1.00 0.00 C ATOM 415 C SER A 27 -4.271 3.320 3.142 1.00 0.00 C ATOM 416 O SER A 27 -3.753 3.301 4.241 1.00 0.00 O ATOM 417 CB SER A 27 -5.501 5.390 3.795 1.00 0.00 C ATOM 418 OG SER A 27 -5.048 6.733 3.687 1.00 0.00 O ATOM 0 H SER A 27 -6.955 3.930 2.204 1.00 0.00 H new ATOM 0 HA SER A 27 -4.249 5.176 2.055 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.591 5.362 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.162 4.955 4.735 1.00 0.00 H new ATOM 0 HG SER A 27 -5.391 7.256 4.441 1.00 0.00 H new ATOM 424 N GLY A 28 -4.240 2.272 2.365 1.00 0.00 N ATOM 425 CA GLY A 28 -3.560 1.028 2.826 1.00 0.00 C ATOM 426 C GLY A 28 -2.183 0.983 2.178 1.00 0.00 C ATOM 427 O GLY A 28 -1.217 0.505 2.740 1.00 0.00 O ATOM 0 H GLY A 28 -4.654 2.223 1.434 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.471 1.021 3.912 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.142 0.149 2.548 1.00 0.00 H new ATOM 431 N ILE A 29 -2.109 1.492 0.987 1.00 0.00 N ATOM 432 CA ILE A 29 -0.835 1.520 0.237 1.00 0.00 C ATOM 433 C ILE A 29 0.113 2.528 0.881 1.00 0.00 C ATOM 434 O ILE A 29 1.312 2.340 0.918 1.00 0.00 O ATOM 435 CB ILE A 29 -1.152 1.932 -1.201 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.125 1.341 -2.142 1.00 0.00 C ATOM 437 CG2 ILE A 29 -1.147 3.457 -1.351 1.00 0.00 C ATOM 438 CD1 ILE A 29 -0.487 1.774 -3.548 1.00 0.00 C ATOM 0 H ILE A 29 -2.901 1.900 0.490 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.354 0.542 0.249 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.146 1.558 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.876 1.685 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.118 0.254 -2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.375 3.722 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.898 3.890 -0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.164 3.845 -1.086 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.236 1.363 -4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.483 1.408 -3.796 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.474 2.862 -3.608 1.00 0.00 H new ATOM 450 N TYR A 30 -0.424 3.602 1.378 1.00 0.00 N ATOM 451 CA TYR A 30 0.431 4.634 2.011 1.00 0.00 C ATOM 452 C TYR A 30 1.038 4.058 3.277 1.00 0.00 C ATOM 453 O TYR A 30 2.233 4.087 3.469 1.00 0.00 O ATOM 454 CB TYR A 30 -0.427 5.856 2.327 1.00 0.00 C ATOM 455 CG TYR A 30 -1.273 6.151 1.116 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.729 5.986 -0.163 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.602 6.558 1.263 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.510 6.233 -1.295 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.387 6.801 0.129 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.842 6.638 -1.150 1.00 0.00 C ATOM 461 OH TYR A 30 -3.616 6.876 -2.268 1.00 0.00 O ATOM 0 H TYR A 30 -1.423 3.809 1.372 1.00 0.00 H new ATOM 0 HA TYR A 30 1.237 4.934 1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.057 5.666 3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.202 6.712 2.571 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.297 5.667 -0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.023 6.685 2.249 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.086 6.112 -2.281 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.414 7.115 0.241 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.149 7.499 -2.863 1.00 0.00 H new ATOM 471 N ALA A 31 0.234 3.504 4.130 1.00 0.00 N ATOM 472 CA ALA A 31 0.792 2.898 5.363 1.00 0.00 C ATOM 473 C ALA A 31 1.742 1.766 4.959 1.00 0.00 C ATOM 474 O ALA A 31 2.568 1.331 5.736 1.00 0.00 O ATOM 475 CB ALA A 31 -0.344 2.337 6.218 1.00 0.00 C ATOM 0 H ALA A 31 -0.779 3.444 4.030 1.00 0.00 H new ATOM 0 HA ALA A 31 1.330 3.650 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.068 1.892 7.124 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.028 3.142 6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.883 1.577 5.653 1.00 0.00 H new ATOM 481 N HIS A 32 1.628 1.278 3.745 1.00 0.00 N ATOM 482 CA HIS A 32 2.520 0.172 3.300 1.00 0.00 C ATOM 483 C HIS A 32 3.914 0.709 2.949 1.00 0.00 C ATOM 484 O HIS A 32 4.880 0.447 3.636 1.00 0.00 O ATOM 485 CB HIS A 32 1.923 -0.503 2.068 1.00 0.00 C ATOM 486 CG HIS A 32 2.846 -1.607 1.638 1.00 0.00 C ATOM 487 ND1 HIS A 32 2.764 -2.883 2.170 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.899 -1.634 0.757 1.00 0.00 C ATOM 489 CE1 HIS A 32 3.743 -3.618 1.613 1.00 0.00 C ATOM 490 NE2 HIS A 32 4.464 -2.906 0.742 1.00 0.00 N ATOM 0 H HIS A 32 0.956 1.601 3.049 1.00 0.00 H new ATOM 0 HA HIS A 32 2.610 -0.547 4.114 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.935 -0.902 2.296 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.797 0.221 1.263 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.237 -0.796 0.166 1.00 0.00 H new ATOM 0 HE1 HIS A 32 3.924 -4.658 1.842 1.00 0.00 H new ATOM 0 HE2 HIS A 32 5.257 -3.226 0.186 1.00 0.00 H new ATOM 498 N ILE A 33 4.027 1.435 1.869 1.00 0.00 N ATOM 499 CA ILE A 33 5.360 1.967 1.451 1.00 0.00 C ATOM 500 C ILE A 33 5.963 2.832 2.562 1.00 0.00 C ATOM 501 O ILE A 33 7.160 2.880 2.745 1.00 0.00 O ATOM 502 CB ILE A 33 5.195 2.816 0.195 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.113 3.869 0.430 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.798 1.924 -0.982 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.772 5.163 0.907 1.00 0.00 C ATOM 0 H ILE A 33 3.252 1.684 1.255 1.00 0.00 H new ATOM 0 HA ILE A 33 6.025 1.127 1.252 1.00 0.00 H new ATOM 0 HB ILE A 33 6.139 3.311 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.555 4.047 -0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.398 3.515 1.173 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.681 2.534 -1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.574 1.177 -1.150 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.856 1.424 -0.758 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.006 5.920 1.077 1.00 0.00 H new ATOM 0 HD12 ILE A 33 5.310 4.976 1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.470 5.517 0.148 1.00 0.00 H new ATOM 517 N THR A 34 5.153 3.533 3.294 1.00 0.00 N ATOM 518 CA THR A 34 5.702 4.396 4.381 1.00 0.00 C ATOM 519 C THR A 34 6.352 3.516 5.453 1.00 0.00 C ATOM 520 O THR A 34 7.249 3.938 6.155 1.00 0.00 O ATOM 521 CB THR A 34 4.576 5.220 5.011 1.00 0.00 C ATOM 522 OG1 THR A 34 3.507 4.360 5.378 1.00 0.00 O ATOM 523 CG2 THR A 34 4.082 6.264 4.009 1.00 0.00 C ATOM 0 H THR A 34 4.138 3.550 3.192 1.00 0.00 H new ATOM 0 HA THR A 34 6.448 5.071 3.960 1.00 0.00 H new ATOM 0 HB THR A 34 4.950 5.727 5.900 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.919 4.221 4.606 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.280 6.850 4.459 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.905 6.925 3.736 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.708 5.763 3.116 1.00 0.00 H new ATOM 531 N LYS A 35 5.904 2.297 5.587 1.00 0.00 N ATOM 532 CA LYS A 35 6.494 1.391 6.615 1.00 0.00 C ATOM 533 C LYS A 35 7.801 0.786 6.088 1.00 0.00 C ATOM 534 O LYS A 35 8.864 1.023 6.625 1.00 0.00 O ATOM 535 CB LYS A 35 5.503 0.268 6.931 1.00 0.00 C ATOM 536 CG LYS A 35 5.480 0.014 8.440 1.00 0.00 C ATOM 537 CD LYS A 35 4.104 0.379 9.000 1.00 0.00 C ATOM 538 CE LYS A 35 4.070 0.086 10.502 1.00 0.00 C ATOM 539 NZ LYS A 35 4.753 1.186 11.238 1.00 0.00 N ATOM 0 H LYS A 35 5.154 1.889 5.029 1.00 0.00 H new ATOM 0 HA LYS A 35 6.703 1.961 7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.507 0.540 6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.788 -0.642 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.702 -1.033 8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.252 0.606 8.931 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.894 1.433 8.820 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.329 -0.192 8.490 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.039 -0.008 10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.561 -0.865 10.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.293 0.789 12.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.400 1.685 10.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.043 1.854 11.601 1.00 0.00 H new ATOM 553 N HIS A 36 7.730 0.001 5.046 1.00 0.00 N ATOM 554 CA HIS A 36 8.969 -0.622 4.493 1.00 0.00 C ATOM 555 C HIS A 36 9.829 0.449 3.821 1.00 0.00 C ATOM 556 O HIS A 36 11.025 0.517 4.022 1.00 0.00 O ATOM 557 CB HIS A 36 8.588 -1.684 3.463 1.00 0.00 C ATOM 558 CG HIS A 36 8.289 -2.978 4.168 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.293 -3.828 4.606 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.107 -3.578 4.524 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.701 -4.882 5.197 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.369 -4.779 5.175 1.00 0.00 N ATOM 0 H HIS A 36 6.869 -0.236 4.554 1.00 0.00 H new ATOM 0 HA HIS A 36 9.533 -1.083 5.304 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.718 -1.358 2.893 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.401 -1.824 2.751 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.123 -3.178 4.328 1.00 0.00 H new ATOM 0 HE1 HIS A 36 9.237 -5.710 5.636 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.690 -5.439 5.554 1.00 0.00 H new ATOM 570 N TYR A 37 9.227 1.285 3.024 1.00 0.00 N ATOM 571 CA TYR A 37 10.009 2.354 2.339 1.00 0.00 C ATOM 572 C TYR A 37 10.264 3.497 3.333 1.00 0.00 C ATOM 573 O TYR A 37 9.332 4.101 3.824 1.00 0.00 O ATOM 574 CB TYR A 37 9.223 2.888 1.131 1.00 0.00 C ATOM 575 CG TYR A 37 10.023 2.657 -0.122 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.452 1.366 -0.440 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.334 3.728 -0.965 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.194 1.142 -1.602 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.078 3.506 -2.128 1.00 0.00 C ATOM 580 CZ TYR A 37 11.509 2.212 -2.448 1.00 0.00 C ATOM 581 OH TYR A 37 12.243 1.993 -3.595 1.00 0.00 O ATOM 0 H TYR A 37 8.228 1.276 2.816 1.00 0.00 H new ATOM 0 HA TYR A 37 10.957 1.946 1.990 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.259 2.385 1.059 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.020 3.952 1.256 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.210 0.541 0.213 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.000 4.725 -0.718 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.525 0.144 -1.848 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.320 4.332 -2.780 1.00 0.00 H new ATOM 0 HH TYR A 37 11.974 1.141 -3.998 1.00 0.00 H new ATOM 591 N PRO A 38 11.522 3.753 3.613 1.00 0.00 N ATOM 592 CA PRO A 38 11.922 4.810 4.561 1.00 0.00 C ATOM 593 C PRO A 38 11.794 6.195 3.921 1.00 0.00 C ATOM 594 O PRO A 38 11.453 7.160 4.577 1.00 0.00 O ATOM 595 CB PRO A 38 13.386 4.484 4.868 1.00 0.00 C ATOM 596 CG PRO A 38 13.899 3.637 3.681 1.00 0.00 C ATOM 597 CD PRO A 38 12.657 3.021 3.012 1.00 0.00 C ATOM 0 HA PRO A 38 11.298 4.836 5.454 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.973 5.396 4.977 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.474 3.934 5.805 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.453 4.255 2.975 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.580 2.859 4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.684 3.147 1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.589 1.951 3.207 1.00 0.00 H new ATOM 605 N TYR A 39 12.065 6.309 2.650 1.00 0.00 N ATOM 606 CA TYR A 39 11.954 7.639 1.990 1.00 0.00 C ATOM 607 C TYR A 39 10.518 8.150 2.129 1.00 0.00 C ATOM 608 O TYR A 39 10.274 9.201 2.688 1.00 0.00 O ATOM 609 CB TYR A 39 12.314 7.510 0.505 1.00 0.00 C ATOM 610 CG TYR A 39 11.864 8.748 -0.233 1.00 0.00 C ATOM 611 CD1 TYR A 39 12.543 9.960 -0.050 1.00 0.00 C ATOM 612 CD2 TYR A 39 10.762 8.687 -1.094 1.00 0.00 C ATOM 613 CE1 TYR A 39 12.119 11.109 -0.728 1.00 0.00 C ATOM 614 CE2 TYR A 39 10.339 9.835 -1.773 1.00 0.00 C ATOM 615 CZ TYR A 39 11.016 11.047 -1.589 1.00 0.00 C ATOM 616 OH TYR A 39 10.598 12.180 -2.257 1.00 0.00 O ATOM 0 H TYR A 39 12.357 5.543 2.043 1.00 0.00 H new ATOM 0 HA TYR A 39 12.640 8.341 2.464 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.390 7.377 0.391 1.00 0.00 H new ATOM 0 HB3 TYR A 39 11.837 6.627 0.080 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.393 10.008 0.614 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.238 7.753 -1.234 1.00 0.00 H new ATOM 0 HE1 TYR A 39 12.642 12.043 -0.587 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.490 9.786 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 39 11.118 12.284 -3.081 1.00 0.00 H new ATOM 626 N TYR A 40 9.566 7.415 1.624 1.00 0.00 N ATOM 627 CA TYR A 40 8.148 7.859 1.727 1.00 0.00 C ATOM 628 C TYR A 40 7.759 7.994 3.203 1.00 0.00 C ATOM 629 O TYR A 40 7.451 7.022 3.862 1.00 0.00 O ATOM 630 CB TYR A 40 7.243 6.827 1.055 1.00 0.00 C ATOM 631 CG TYR A 40 6.969 7.251 -0.369 1.00 0.00 C ATOM 632 CD1 TYR A 40 6.576 8.567 -0.638 1.00 0.00 C ATOM 633 CD2 TYR A 40 7.111 6.332 -1.417 1.00 0.00 C ATOM 634 CE1 TYR A 40 6.325 8.967 -1.957 1.00 0.00 C ATOM 635 CE2 TYR A 40 6.858 6.733 -2.737 1.00 0.00 C ATOM 636 CZ TYR A 40 6.467 8.050 -3.006 1.00 0.00 C ATOM 637 OH TYR A 40 6.222 8.445 -4.305 1.00 0.00 O ATOM 0 H TYR A 40 9.709 6.526 1.145 1.00 0.00 H new ATOM 0 HA TYR A 40 8.033 8.823 1.232 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.718 5.846 1.069 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.307 6.735 1.605 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.466 9.274 0.171 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.415 5.317 -1.209 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.022 9.983 -2.165 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.965 6.026 -3.546 1.00 0.00 H new ATOM 0 HH TYR A 40 5.644 9.236 -4.303 1.00 0.00 H new ATOM 647 N ARG A 41 7.771 9.191 3.729 1.00 0.00 N ATOM 648 CA ARG A 41 7.401 9.380 5.160 1.00 0.00 C ATOM 649 C ARG A 41 6.581 10.665 5.312 1.00 0.00 C ATOM 650 O ARG A 41 5.518 10.670 5.900 1.00 0.00 O ATOM 651 CB ARG A 41 8.674 9.480 6.005 1.00 0.00 C ATOM 652 CG ARG A 41 8.351 9.157 7.464 1.00 0.00 C ATOM 653 CD ARG A 41 9.308 9.921 8.381 1.00 0.00 C ATOM 654 NE ARG A 41 9.915 8.980 9.363 1.00 0.00 N ATOM 655 CZ ARG A 41 11.144 8.568 9.199 1.00 0.00 C ATOM 656 NH1 ARG A 41 11.688 8.591 8.013 1.00 0.00 N ATOM 657 NH2 ARG A 41 11.828 8.131 10.222 1.00 0.00 N ATOM 0 H ARG A 41 8.021 10.044 3.229 1.00 0.00 H new ATOM 0 HA ARG A 41 6.806 8.531 5.498 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.428 8.789 5.628 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.095 10.483 5.929 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.320 9.430 7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.442 8.085 7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 41 10.089 10.400 7.791 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.772 10.713 8.904 1.00 0.00 H new ATOM 0 HE ARG A 41 9.371 8.657 10.163 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.154 8.931 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 41 12.648 8.269 7.886 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.403 8.111 11.149 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.787 7.809 10.094 1.00 0.00 H new ATOM 671 N THR A 42 7.068 11.754 4.783 1.00 0.00 N ATOM 672 CA THR A 42 6.322 13.039 4.892 1.00 0.00 C ATOM 673 C THR A 42 6.913 14.047 3.903 1.00 0.00 C ATOM 674 O THR A 42 7.064 15.215 4.205 1.00 0.00 O ATOM 675 CB THR A 42 6.449 13.587 6.316 1.00 0.00 C ATOM 676 OG1 THR A 42 7.123 12.634 7.128 1.00 0.00 O ATOM 677 CG2 THR A 42 5.057 13.854 6.889 1.00 0.00 C ATOM 0 H THR A 42 7.953 11.809 4.279 1.00 0.00 H new ATOM 0 HA THR A 42 5.269 12.872 4.663 1.00 0.00 H new ATOM 0 HB THR A 42 7.016 14.518 6.299 1.00 0.00 H new ATOM 0 HG1 THR A 42 7.207 12.983 8.040 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.149 14.244 7.903 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.541 14.584 6.265 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.487 12.925 6.908 1.00 0.00 H new ATOM 685 N ALA A 43 7.255 13.601 2.725 1.00 0.00 N ATOM 686 CA ALA A 43 7.843 14.525 1.716 1.00 0.00 C ATOM 687 C ALA A 43 6.734 15.345 1.054 1.00 0.00 C ATOM 688 O ALA A 43 6.397 16.424 1.500 1.00 0.00 O ATOM 689 CB ALA A 43 8.577 13.710 0.649 1.00 0.00 C ATOM 0 H ALA A 43 7.152 12.634 2.418 1.00 0.00 H new ATOM 0 HA ALA A 43 8.542 15.199 2.210 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.008 14.384 -0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.371 13.129 1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 43 7.875 13.035 0.159 1.00 0.00 H new ATOM 695 N ASP A 44 6.170 14.847 -0.013 1.00 0.00 N ATOM 696 CA ASP A 44 5.090 15.606 -0.704 1.00 0.00 C ATOM 697 C ASP A 44 3.872 14.702 -0.908 1.00 0.00 C ATOM 698 O ASP A 44 3.994 13.507 -1.085 1.00 0.00 O ATOM 699 CB ASP A 44 5.602 16.088 -2.062 1.00 0.00 C ATOM 700 CG ASP A 44 6.121 17.522 -1.930 1.00 0.00 C ATOM 701 OD1 ASP A 44 6.241 17.987 -0.808 1.00 0.00 O ATOM 702 OD2 ASP A 44 6.391 18.130 -2.953 1.00 0.00 O ATOM 0 H ASP A 44 6.410 13.950 -0.435 1.00 0.00 H new ATOM 0 HA ASP A 44 4.802 16.463 -0.095 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.398 15.433 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.802 16.046 -2.801 1.00 0.00 H new ATOM 707 N LYS A 45 2.695 15.267 -0.882 1.00 0.00 N ATOM 708 CA LYS A 45 1.467 14.444 -1.072 1.00 0.00 C ATOM 709 C LYS A 45 1.111 14.384 -2.561 1.00 0.00 C ATOM 710 O LYS A 45 -0.037 14.521 -2.938 1.00 0.00 O ATOM 711 CB LYS A 45 0.309 15.075 -0.297 1.00 0.00 C ATOM 712 CG LYS A 45 0.674 15.169 1.186 1.00 0.00 C ATOM 713 CD LYS A 45 0.288 13.868 1.892 1.00 0.00 C ATOM 714 CE LYS A 45 0.508 14.018 3.399 1.00 0.00 C ATOM 715 NZ LYS A 45 -0.225 15.219 3.892 1.00 0.00 N ATOM 0 H LYS A 45 2.531 16.263 -0.737 1.00 0.00 H new ATOM 0 HA LYS A 45 1.648 13.434 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 45 0.092 16.067 -0.692 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.594 14.478 -0.422 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.743 15.352 1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.157 16.011 1.646 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.756 13.628 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.886 13.042 1.507 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.158 13.126 3.919 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.572 14.115 3.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.365 15.142 4.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.328 16.074 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.150 15.279 3.420 1.00 0.00 H new ATOM 729 N GLY A 46 2.082 14.180 -3.407 1.00 0.00 N ATOM 730 CA GLY A 46 1.793 14.111 -4.869 1.00 0.00 C ATOM 731 C GLY A 46 1.293 12.710 -5.226 1.00 0.00 C ATOM 732 O GLY A 46 0.210 12.542 -5.753 1.00 0.00 O ATOM 0 H GLY A 46 3.062 14.058 -3.151 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.043 14.855 -5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.692 14.344 -5.439 1.00 0.00 H new ATOM 736 N TRP A 47 2.074 11.703 -4.946 1.00 0.00 N ATOM 737 CA TRP A 47 1.650 10.311 -5.270 1.00 0.00 C ATOM 738 C TRP A 47 0.417 9.931 -4.450 1.00 0.00 C ATOM 739 O TRP A 47 -0.177 8.895 -4.660 1.00 0.00 O ATOM 740 CB TRP A 47 2.784 9.336 -4.954 1.00 0.00 C ATOM 741 CG TRP A 47 2.991 9.240 -3.475 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.454 10.240 -2.687 1.00 0.00 C ATOM 743 CD2 TRP A 47 2.773 8.097 -2.596 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.544 9.781 -1.388 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.137 8.469 -1.280 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.304 6.783 -2.808 1.00 0.00 C ATOM 747 CZ2 TRP A 47 3.044 7.577 -0.215 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.210 5.885 -1.734 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.582 6.281 -0.443 1.00 0.00 C ATOM 0 H TRP A 47 2.990 11.784 -4.505 1.00 0.00 H new ATOM 0 HA TRP A 47 1.407 10.259 -6.331 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.550 8.352 -5.360 1.00 0.00 H new ATOM 0 HB3 TRP A 47 3.703 9.669 -5.436 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.711 11.235 -3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 47 3.872 10.345 -0.604 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.017 6.468 -3.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.327 7.886 0.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 1.848 4.882 -1.904 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.511 5.582 0.377 1.00 0.00 H new ATOM 760 N GLN A 48 0.028 10.751 -3.516 1.00 0.00 N ATOM 761 CA GLN A 48 -1.166 10.413 -2.695 1.00 0.00 C ATOM 762 C GLN A 48 -2.346 10.093 -3.619 1.00 0.00 C ATOM 763 O GLN A 48 -2.797 8.967 -3.697 1.00 0.00 O ATOM 764 CB GLN A 48 -1.521 11.601 -1.798 1.00 0.00 C ATOM 765 CG GLN A 48 -2.225 11.095 -0.537 1.00 0.00 C ATOM 766 CD GLN A 48 -1.337 10.065 0.162 1.00 0.00 C ATOM 767 OE1 GLN A 48 -1.823 9.226 0.896 1.00 0.00 O ATOM 768 NE2 GLN A 48 -0.048 10.094 -0.034 1.00 0.00 N ATOM 0 H GLN A 48 0.482 11.635 -3.286 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.948 9.544 -2.074 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.618 12.149 -1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.168 12.295 -2.335 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.434 11.927 0.135 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.184 10.647 -0.797 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.358 10.798 -0.650 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.554 9.412 0.429 1.00 0.00 H new ATOM 777 N ASN A 49 -2.851 11.075 -4.319 1.00 0.00 N ATOM 778 CA ASN A 49 -4.002 10.827 -5.238 1.00 0.00 C ATOM 779 C ASN A 49 -3.531 10.032 -6.456 1.00 0.00 C ATOM 780 O ASN A 49 -4.326 9.527 -7.224 1.00 0.00 O ATOM 781 CB ASN A 49 -4.588 12.165 -5.696 1.00 0.00 C ATOM 782 CG ASN A 49 -3.516 12.973 -6.429 1.00 0.00 C ATOM 783 OD1 ASN A 49 -2.508 12.435 -6.842 1.00 0.00 O ATOM 784 ND2 ASN A 49 -3.692 14.253 -6.610 1.00 0.00 N ATOM 0 H ASN A 49 -2.516 12.038 -4.294 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.766 10.256 -4.710 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.441 11.994 -6.353 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.955 12.726 -4.836 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.984 14.801 -7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -4.538 14.705 -6.264 1.00 0.00 H new ATOM 791 N SER A 50 -2.247 9.912 -6.638 1.00 0.00 N ATOM 792 CA SER A 50 -1.734 9.145 -7.806 1.00 0.00 C ATOM 793 C SER A 50 -2.087 7.667 -7.633 1.00 0.00 C ATOM 794 O SER A 50 -2.584 7.030 -8.535 1.00 0.00 O ATOM 795 CB SER A 50 -0.215 9.302 -7.887 1.00 0.00 C ATOM 796 OG SER A 50 0.271 8.583 -9.013 1.00 0.00 O ATOM 0 H SER A 50 -1.532 10.311 -6.030 1.00 0.00 H new ATOM 0 HA SER A 50 -2.187 9.523 -8.722 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.049 10.356 -7.972 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.250 8.929 -6.974 1.00 0.00 H new ATOM 0 HG SER A 50 0.881 7.877 -8.712 1.00 0.00 H new ATOM 802 N ILE A 51 -1.832 7.124 -6.475 1.00 0.00 N ATOM 803 CA ILE A 51 -2.145 5.688 -6.216 1.00 0.00 C ATOM 804 C ILE A 51 -3.618 5.407 -6.558 1.00 0.00 C ATOM 805 O ILE A 51 -3.928 4.512 -7.319 1.00 0.00 O ATOM 806 CB ILE A 51 -1.855 5.397 -4.724 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.510 4.687 -4.597 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.930 4.497 -4.103 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.530 5.343 -5.510 1.00 0.00 C ATOM 0 H ILE A 51 -1.415 7.619 -5.687 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.530 5.039 -6.839 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.847 6.352 -4.198 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.169 4.723 -3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.621 3.635 -4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.691 4.315 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.901 4.987 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.963 3.548 -4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.483 4.824 -5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.194 5.283 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.654 6.389 -5.228 1.00 0.00 H new ATOM 821 N ARG A 52 -4.524 6.153 -5.987 1.00 0.00 N ATOM 822 CA ARG A 52 -5.973 5.917 -6.260 1.00 0.00 C ATOM 823 C ARG A 52 -6.241 5.932 -7.767 1.00 0.00 C ATOM 824 O ARG A 52 -6.882 5.049 -8.302 1.00 0.00 O ATOM 825 CB ARG A 52 -6.798 7.018 -5.588 1.00 0.00 C ATOM 826 CG ARG A 52 -8.277 6.835 -5.937 1.00 0.00 C ATOM 827 CD ARG A 52 -8.766 8.045 -6.736 1.00 0.00 C ATOM 828 NE ARG A 52 -8.884 7.675 -8.174 1.00 0.00 N ATOM 829 CZ ARG A 52 -9.951 8.007 -8.847 1.00 0.00 C ATOM 830 NH1 ARG A 52 -10.032 9.188 -9.399 1.00 0.00 N ATOM 831 NH2 ARG A 52 -10.937 7.161 -8.970 1.00 0.00 N ATOM 0 H ARG A 52 -4.324 6.917 -5.342 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.255 4.942 -5.861 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.661 6.981 -4.507 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.454 7.998 -5.919 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.415 5.923 -6.517 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.866 6.725 -5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.731 8.380 -6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.071 8.877 -6.619 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.131 7.162 -8.632 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -9.261 9.849 -9.304 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.866 9.449 -9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.874 6.238 -8.540 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.771 7.422 -9.497 1.00 0.00 H new ATOM 845 N HIS A 53 -5.768 6.933 -8.451 1.00 0.00 N ATOM 846 CA HIS A 53 -6.006 7.017 -9.920 1.00 0.00 C ATOM 847 C HIS A 53 -5.288 5.868 -10.637 1.00 0.00 C ATOM 848 O HIS A 53 -5.670 5.466 -11.719 1.00 0.00 O ATOM 849 CB HIS A 53 -5.473 8.356 -10.433 1.00 0.00 C ATOM 850 CG HIS A 53 -5.529 8.383 -11.936 1.00 0.00 C ATOM 851 ND1 HIS A 53 -4.487 8.878 -12.706 1.00 0.00 N ATOM 852 CD2 HIS A 53 -6.496 7.983 -12.827 1.00 0.00 C ATOM 853 CE1 HIS A 53 -4.848 8.766 -13.998 1.00 0.00 C ATOM 854 NE2 HIS A 53 -6.063 8.227 -14.127 1.00 0.00 N ATOM 0 H HIS A 53 -5.224 7.701 -8.056 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.075 6.941 -10.120 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -6.064 9.175 -10.023 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.447 8.503 -10.095 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -7.447 7.546 -12.559 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -4.231 9.074 -14.829 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -6.566 8.035 -14.993 1.00 0.00 H new ATOM 862 N ASN A 54 -4.249 5.345 -10.050 1.00 0.00 N ATOM 863 CA ASN A 54 -3.502 4.229 -10.699 1.00 0.00 C ATOM 864 C ASN A 54 -4.323 2.945 -10.647 1.00 0.00 C ATOM 865 O ASN A 54 -4.317 2.157 -11.570 1.00 0.00 O ATOM 866 CB ASN A 54 -2.173 4.010 -9.973 1.00 0.00 C ATOM 867 CG ASN A 54 -1.092 4.857 -10.644 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.734 4.619 -11.780 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.554 5.846 -9.984 1.00 0.00 N ATOM 0 H ASN A 54 -3.883 5.642 -9.146 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.314 4.490 -11.740 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.268 4.285 -8.923 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.897 2.956 -10.003 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.167 6.419 -10.422 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.855 6.046 -9.030 1.00 0.00 H new ATOM 876 N LEU A 55 -5.013 2.716 -9.568 1.00 0.00 N ATOM 877 CA LEU A 55 -5.815 1.468 -9.454 1.00 0.00 C ATOM 878 C LEU A 55 -6.991 1.509 -10.431 1.00 0.00 C ATOM 879 O LEU A 55 -7.702 0.539 -10.595 1.00 0.00 O ATOM 880 CB LEU A 55 -6.351 1.332 -8.031 1.00 0.00 C ATOM 881 CG LEU A 55 -5.248 1.643 -7.023 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.793 1.437 -5.609 1.00 0.00 C ATOM 883 CD2 LEU A 55 -4.070 0.700 -7.263 1.00 0.00 C ATOM 0 H LEU A 55 -5.057 3.338 -8.760 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.178 0.616 -9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.191 2.011 -7.884 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.727 0.321 -7.871 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.915 2.675 -7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.011 1.657 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.639 2.104 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.117 0.403 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.278 0.917 -6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.399 -0.332 -7.139 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.691 0.841 -8.275 1.00 0.00 H new ATOM 895 N SER A 56 -7.203 2.616 -11.081 1.00 0.00 N ATOM 896 CA SER A 56 -8.336 2.702 -12.041 1.00 0.00 C ATOM 897 C SER A 56 -7.850 2.282 -13.427 1.00 0.00 C ATOM 898 O SER A 56 -8.438 1.443 -14.079 1.00 0.00 O ATOM 899 CB SER A 56 -8.857 4.141 -12.084 1.00 0.00 C ATOM 900 OG SER A 56 -8.521 4.737 -13.333 1.00 0.00 O ATOM 0 H SER A 56 -6.643 3.463 -10.990 1.00 0.00 H new ATOM 0 HA SER A 56 -9.142 2.040 -11.725 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.938 4.151 -11.945 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.425 4.719 -11.267 1.00 0.00 H new ATOM 0 HG SER A 56 -7.624 5.128 -13.278 1.00 0.00 H new ATOM 906 N LEU A 57 -6.783 2.873 -13.881 1.00 0.00 N ATOM 907 CA LEU A 57 -6.250 2.529 -15.224 1.00 0.00 C ATOM 908 C LEU A 57 -5.228 1.392 -15.116 1.00 0.00 C ATOM 909 O LEU A 57 -4.688 0.943 -16.108 1.00 0.00 O ATOM 910 CB LEU A 57 -5.591 3.772 -15.830 1.00 0.00 C ATOM 911 CG LEU A 57 -4.206 4.007 -15.214 1.00 0.00 C ATOM 912 CD1 LEU A 57 -3.408 4.951 -16.113 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.359 4.641 -13.829 1.00 0.00 C ATOM 0 H LEU A 57 -6.254 3.584 -13.376 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.067 2.196 -15.865 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.499 3.651 -16.909 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.223 4.644 -15.660 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.685 3.054 -15.122 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.423 5.121 -15.679 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.297 4.505 -17.101 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.934 5.901 -16.201 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.373 4.807 -13.394 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.880 5.594 -13.921 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.932 3.974 -13.185 1.00 0.00 H new ATOM 925 N ASN A 58 -4.948 0.925 -13.929 1.00 0.00 N ATOM 926 CA ASN A 58 -3.949 -0.177 -13.790 1.00 0.00 C ATOM 927 C ASN A 58 -4.460 -1.424 -14.509 1.00 0.00 C ATOM 928 O ASN A 58 -5.640 -1.567 -14.766 1.00 0.00 O ATOM 929 CB ASN A 58 -3.711 -0.511 -12.316 1.00 0.00 C ATOM 930 CG ASN A 58 -2.542 0.319 -11.779 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.966 -0.013 -10.762 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.167 1.393 -12.418 1.00 0.00 N ATOM 0 H ASN A 58 -5.362 1.254 -13.057 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.009 0.152 -14.233 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.611 -0.305 -11.737 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.496 -1.574 -12.204 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.391 1.953 -12.064 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.650 1.673 -13.272 1.00 0.00 H new ATOM 939 N ARG A 59 -3.579 -2.324 -14.842 1.00 0.00 N ATOM 940 CA ARG A 59 -4.004 -3.561 -15.556 1.00 0.00 C ATOM 941 C ARG A 59 -4.321 -4.672 -14.550 1.00 0.00 C ATOM 942 O ARG A 59 -4.709 -5.759 -14.927 1.00 0.00 O ATOM 943 CB ARG A 59 -2.883 -4.036 -16.491 1.00 0.00 C ATOM 944 CG ARG A 59 -1.921 -2.880 -16.785 1.00 0.00 C ATOM 945 CD ARG A 59 -1.294 -3.072 -18.168 1.00 0.00 C ATOM 946 NE ARG A 59 -2.372 -3.266 -19.179 1.00 0.00 N ATOM 947 CZ ARG A 59 -2.828 -2.244 -19.851 1.00 0.00 C ATOM 948 NH1 ARG A 59 -3.385 -1.245 -19.221 1.00 0.00 N ATOM 949 NH2 ARG A 59 -2.729 -2.220 -21.152 1.00 0.00 N ATOM 0 H ARG A 59 -2.579 -2.257 -14.650 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.897 -3.335 -16.138 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.341 -4.863 -16.032 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.309 -4.411 -17.422 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.455 -1.930 -16.745 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.142 -2.840 -16.024 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.688 -2.204 -18.428 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.628 -3.935 -18.161 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.753 -4.197 -19.346 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -3.464 -1.263 -18.204 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.741 -0.446 -19.746 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -2.295 -3.000 -21.645 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.086 -1.421 -21.676 1.00 0.00 H new ATOM 963 N TYR A 60 -4.150 -4.428 -13.276 1.00 0.00 N ATOM 964 CA TYR A 60 -4.438 -5.512 -12.288 1.00 0.00 C ATOM 965 C TYR A 60 -4.874 -4.940 -10.937 1.00 0.00 C ATOM 966 O TYR A 60 -4.375 -5.331 -9.906 1.00 0.00 O ATOM 967 CB TYR A 60 -3.185 -6.363 -12.078 1.00 0.00 C ATOM 968 CG TYR A 60 -1.954 -5.515 -12.279 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.905 -4.212 -11.771 1.00 0.00 C ATOM 970 CD2 TYR A 60 -0.863 -6.031 -12.980 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.762 -3.428 -11.968 1.00 0.00 C ATOM 972 CE2 TYR A 60 0.281 -5.251 -13.176 1.00 0.00 C ATOM 973 CZ TYR A 60 0.331 -3.948 -12.672 1.00 0.00 C ATOM 974 OH TYR A 60 1.458 -3.175 -12.865 1.00 0.00 O ATOM 0 H TYR A 60 -3.830 -3.543 -12.882 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.250 -6.118 -12.689 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -3.186 -6.787 -11.074 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.180 -7.199 -12.777 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.748 -3.812 -11.228 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.902 -7.036 -13.373 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.723 -2.422 -11.577 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.125 -5.655 -13.716 1.00 0.00 H new ATOM 0 HH TYR A 60 2.123 -3.687 -13.371 1.00 0.00 H new ATOM 984 N PHE A 61 -5.817 -4.048 -10.916 1.00 0.00 N ATOM 985 CA PHE A 61 -6.279 -3.510 -9.607 1.00 0.00 C ATOM 986 C PHE A 61 -7.773 -3.231 -9.696 1.00 0.00 C ATOM 987 O PHE A 61 -8.213 -2.276 -10.303 1.00 0.00 O ATOM 988 CB PHE A 61 -5.511 -2.239 -9.249 1.00 0.00 C ATOM 989 CG PHE A 61 -4.128 -2.624 -8.776 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.953 -3.339 -7.583 1.00 0.00 C ATOM 991 CD2 PHE A 61 -3.016 -2.276 -9.541 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.669 -3.694 -7.172 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.736 -2.633 -9.131 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.559 -3.344 -7.943 1.00 0.00 C ATOM 0 H PHE A 61 -6.286 -3.669 -11.738 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.091 -4.241 -8.821 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.444 -1.581 -10.116 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.037 -1.687 -8.470 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.809 -3.614 -6.985 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.150 -1.724 -10.460 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.532 -4.243 -6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.880 -2.361 -9.731 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.566 -3.623 -7.621 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.551 -4.089 -9.108 1.00 0.00 N ATOM 1005 CA ILE A 62 -10.032 -3.927 -9.158 1.00 0.00 C ATOM 1006 C ILE A 62 -10.552 -3.435 -7.803 1.00 0.00 C ATOM 1007 O ILE A 62 -9.793 -3.186 -6.889 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.670 -5.281 -9.498 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.642 -6.188 -8.266 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.881 -5.950 -10.626 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -11.386 -7.490 -8.572 1.00 0.00 C ATOM 0 H ILE A 62 -8.225 -4.904 -8.589 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.293 -3.193 -9.921 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.701 -5.121 -9.813 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.612 -6.404 -7.984 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -11.106 -5.683 -7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.335 -6.911 -10.867 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.895 -5.311 -11.509 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.850 -6.105 -10.307 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -11.366 -8.136 -7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -12.420 -7.265 -8.833 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.903 -7.998 -9.407 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.844 -3.294 -7.668 1.00 0.00 N ATOM 1024 CA LYS A 63 -12.415 -2.820 -6.375 1.00 0.00 C ATOM 1025 C LYS A 63 -13.545 -3.760 -5.948 1.00 0.00 C ATOM 1026 O LYS A 63 -14.187 -4.387 -6.768 1.00 0.00 O ATOM 1027 CB LYS A 63 -12.969 -1.404 -6.547 1.00 0.00 C ATOM 1028 CG LYS A 63 -11.961 -0.548 -7.318 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.479 -0.306 -8.738 1.00 0.00 C ATOM 1030 CE LYS A 63 -13.301 0.984 -8.770 1.00 0.00 C ATOM 1031 NZ LYS A 63 -14.752 0.648 -8.823 1.00 0.00 N ATOM 0 H LYS A 63 -12.529 -3.487 -8.399 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.635 -2.813 -5.613 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -13.918 -1.437 -7.082 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.168 -0.960 -5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -11.810 0.403 -6.808 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.993 -1.049 -7.353 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.643 -0.234 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.091 -1.148 -9.061 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -13.088 1.585 -7.886 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.024 1.583 -9.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -15.304 1.515 -8.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.926 -0.019 -9.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -15.041 0.213 -7.923 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.796 -3.865 -4.671 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.886 -4.764 -4.199 1.00 0.00 C ATOM 1047 C VAL A 64 -16.206 -3.989 -4.162 1.00 0.00 C ATOM 1048 O VAL A 64 -16.209 -2.779 -4.063 1.00 0.00 O ATOM 1049 CB VAL A 64 -14.557 -5.276 -2.796 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.204 -5.988 -2.817 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -14.496 -4.095 -1.824 1.00 0.00 C ATOM 0 H VAL A 64 -13.294 -3.368 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 64 -14.978 -5.610 -4.881 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.330 -5.974 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.969 -6.353 -1.817 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -13.246 -6.829 -3.510 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -12.431 -5.291 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.262 -4.459 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.723 -3.398 -2.147 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.460 -3.586 -1.808 1.00 0.00 H new ATOM 1061 N PRO A 65 -17.291 -4.716 -4.244 1.00 0.00 N ATOM 1062 CA PRO A 65 -18.643 -4.130 -4.223 1.00 0.00 C ATOM 1063 C PRO A 65 -19.040 -3.751 -2.793 1.00 0.00 C ATOM 1064 O PRO A 65 -18.352 -4.067 -1.842 1.00 0.00 O ATOM 1065 CB PRO A 65 -19.529 -5.257 -4.759 1.00 0.00 C ATOM 1066 CG PRO A 65 -18.754 -6.574 -4.521 1.00 0.00 C ATOM 1067 CD PRO A 65 -17.271 -6.189 -4.364 1.00 0.00 C ATOM 0 HA PRO A 65 -18.725 -3.215 -4.810 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -20.490 -5.274 -4.244 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -19.738 -5.116 -5.819 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -19.119 -7.083 -3.629 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -18.890 -7.260 -5.357 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.830 -6.655 -3.483 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -16.683 -6.511 -5.223 1.00 0.00 H new ATOM 1075 N ARG A 66 -20.145 -3.074 -2.635 1.00 0.00 N ATOM 1076 CA ARG A 66 -20.587 -2.672 -1.269 1.00 0.00 C ATOM 1077 C ARG A 66 -20.877 -3.925 -0.438 1.00 0.00 C ATOM 1078 O ARG A 66 -21.830 -4.638 -0.684 1.00 0.00 O ATOM 1079 CB ARG A 66 -21.857 -1.824 -1.371 1.00 0.00 C ATOM 1080 CG ARG A 66 -21.875 -0.791 -0.241 1.00 0.00 C ATOM 1081 CD ARG A 66 -22.230 0.584 -0.810 1.00 0.00 C ATOM 1082 NE ARG A 66 -23.525 0.499 -1.542 1.00 0.00 N ATOM 1083 CZ ARG A 66 -24.597 0.080 -0.925 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -24.733 0.284 0.356 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -25.531 -0.543 -1.589 1.00 0.00 N ATOM 0 H ARG A 66 -20.761 -2.782 -3.393 1.00 0.00 H new ATOM 0 HA ARG A 66 -19.800 -2.090 -0.790 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -21.895 -1.322 -2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -22.739 -2.462 -1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -22.601 -1.080 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -20.901 -0.754 0.247 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -22.302 1.315 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -21.442 0.926 -1.481 1.00 0.00 H new ATOM 0 HE ARG A 66 -23.574 0.768 -2.525 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -24.002 0.771 0.875 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -25.570 -0.043 0.838 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -25.424 -0.703 -2.591 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -26.368 -0.870 -1.107 1.00 0.00 H new ATOM 1099 N SER A 67 -20.063 -4.197 0.544 1.00 0.00 N ATOM 1100 CA SER A 67 -20.293 -5.402 1.389 1.00 0.00 C ATOM 1101 C SER A 67 -19.567 -5.233 2.725 1.00 0.00 C ATOM 1102 O SER A 67 -18.409 -5.573 2.861 1.00 0.00 O ATOM 1103 CB SER A 67 -19.753 -6.639 0.670 1.00 0.00 C ATOM 1104 OG SER A 67 -19.686 -7.723 1.587 1.00 0.00 O ATOM 0 H SER A 67 -19.249 -3.637 0.798 1.00 0.00 H new ATOM 0 HA SER A 67 -21.362 -5.522 1.568 1.00 0.00 H new ATOM 0 HB2 SER A 67 -20.399 -6.897 -0.169 1.00 0.00 H new ATOM 0 HB3 SER A 67 -18.764 -6.433 0.260 1.00 0.00 H new ATOM 0 HG SER A 67 -19.342 -8.518 1.129 1.00 0.00 H new ATOM 1110 N GLN A 68 -20.239 -4.709 3.714 1.00 0.00 N ATOM 1111 CA GLN A 68 -19.584 -4.520 5.037 1.00 0.00 C ATOM 1112 C GLN A 68 -20.454 -5.142 6.131 1.00 0.00 C ATOM 1113 O GLN A 68 -21.564 -5.571 5.887 1.00 0.00 O ATOM 1114 CB GLN A 68 -19.409 -3.024 5.309 1.00 0.00 C ATOM 1115 CG GLN A 68 -20.594 -2.255 4.725 1.00 0.00 C ATOM 1116 CD GLN A 68 -21.867 -2.616 5.493 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -21.914 -2.502 6.702 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -22.910 -3.048 4.838 1.00 0.00 N ATOM 0 H GLN A 68 -21.211 -4.405 3.662 1.00 0.00 H new ATOM 0 HA GLN A 68 -18.608 -5.005 5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.339 -2.845 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -18.478 -2.670 4.866 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -20.411 -1.182 4.788 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.713 -2.497 3.669 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -22.871 -3.144 3.823 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -23.764 -3.290 5.341 1.00 0.00 H new ATOM 1127 N GLU A 69 -19.956 -5.195 7.336 1.00 0.00 N ATOM 1128 CA GLU A 69 -20.749 -5.791 8.448 1.00 0.00 C ATOM 1129 C GLU A 69 -20.058 -5.493 9.781 1.00 0.00 C ATOM 1130 O GLU A 69 -20.480 -4.638 10.534 1.00 0.00 O ATOM 1131 CB GLU A 69 -20.841 -7.305 8.253 1.00 0.00 C ATOM 1132 CG GLU A 69 -22.286 -7.695 7.940 1.00 0.00 C ATOM 1133 CD GLU A 69 -22.401 -9.220 7.877 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -22.339 -9.842 8.925 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -22.546 -9.740 6.783 1.00 0.00 O ATOM 0 H GLU A 69 -19.033 -4.851 7.599 1.00 0.00 H new ATOM 0 HA GLU A 69 -21.751 -5.362 8.451 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -20.185 -7.618 7.440 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -20.502 -7.819 9.152 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -22.954 -7.301 8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -22.595 -7.257 6.991 1.00 0.00 H new ATOM 1142 N GLU A 70 -18.998 -6.194 10.076 1.00 0.00 N ATOM 1143 CA GLU A 70 -18.274 -5.957 11.356 1.00 0.00 C ATOM 1144 C GLU A 70 -17.470 -4.654 11.270 1.00 0.00 C ATOM 1145 O GLU A 70 -17.564 -3.816 12.144 1.00 0.00 O ATOM 1146 CB GLU A 70 -17.320 -7.123 11.630 1.00 0.00 C ATOM 1147 CG GLU A 70 -17.400 -7.514 13.108 1.00 0.00 C ATOM 1148 CD GLU A 70 -16.334 -6.750 13.897 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -15.543 -6.062 13.274 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -16.327 -6.868 15.112 1.00 0.00 O ATOM 0 H GLU A 70 -18.601 -6.923 9.483 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.000 -5.879 12.165 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -17.582 -7.975 11.003 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -16.299 -6.839 11.373 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.391 -7.288 13.502 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -17.250 -8.588 13.220 1.00 0.00 H new ATOM 1157 N PRO A 71 -16.693 -4.527 10.222 1.00 0.00 N ATOM 1158 CA PRO A 71 -15.849 -3.339 10.006 1.00 0.00 C ATOM 1159 C PRO A 71 -16.688 -2.178 9.470 1.00 0.00 C ATOM 1160 O PRO A 71 -17.682 -2.372 8.797 1.00 0.00 O ATOM 1161 CB PRO A 71 -14.827 -3.810 8.967 1.00 0.00 C ATOM 1162 CG PRO A 71 -15.467 -5.016 8.238 1.00 0.00 C ATOM 1163 CD PRO A 71 -16.584 -5.546 9.156 1.00 0.00 C ATOM 0 HA PRO A 71 -15.379 -2.972 10.919 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.592 -3.011 8.263 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.891 -4.098 9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.871 -4.714 7.272 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -14.724 -5.790 8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -17.524 -5.659 8.615 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.332 -6.525 9.565 1.00 0.00 H new ATOM 1171 N GLY A 72 -16.298 -0.968 9.766 1.00 0.00 N ATOM 1172 CA GLY A 72 -17.072 0.207 9.278 1.00 0.00 C ATOM 1173 C GLY A 72 -16.427 0.755 8.005 1.00 0.00 C ATOM 1174 O GLY A 72 -16.395 1.948 7.777 1.00 0.00 O ATOM 0 H GLY A 72 -15.475 -0.743 10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -18.104 -0.082 9.079 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -17.100 0.981 10.045 1.00 0.00 H new ATOM 1178 N LYS A 73 -15.915 -0.106 7.170 1.00 0.00 N ATOM 1179 CA LYS A 73 -15.275 0.366 5.911 1.00 0.00 C ATOM 1180 C LYS A 73 -16.336 0.464 4.814 1.00 0.00 C ATOM 1181 O LYS A 73 -17.503 0.210 5.041 1.00 0.00 O ATOM 1182 CB LYS A 73 -14.191 -0.626 5.485 1.00 0.00 C ATOM 1183 CG LYS A 73 -12.950 -0.434 6.358 1.00 0.00 C ATOM 1184 CD LYS A 73 -12.008 -1.626 6.174 1.00 0.00 C ATOM 1185 CE LYS A 73 -11.201 -1.845 7.456 1.00 0.00 C ATOM 1186 NZ LYS A 73 -9.863 -1.205 7.315 1.00 0.00 N ATOM 0 H LYS A 73 -15.912 -1.117 7.306 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.824 1.345 6.074 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.560 -1.647 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.937 -0.475 4.436 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -12.441 0.491 6.087 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -13.239 -0.343 7.405 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.581 -2.522 5.935 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.336 -1.445 5.335 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.731 -1.421 8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.087 -2.912 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.314 -1.353 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.358 -1.629 6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.982 -0.185 7.150 1.00 0.00 H new ATOM 1200 N GLY A 74 -15.943 0.826 3.625 1.00 0.00 N ATOM 1201 CA GLY A 74 -16.928 0.936 2.514 1.00 0.00 C ATOM 1202 C GLY A 74 -16.385 0.205 1.285 1.00 0.00 C ATOM 1203 O GLY A 74 -16.883 -0.832 0.894 1.00 0.00 O ATOM 0 H GLY A 74 -14.980 1.051 3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -17.883 0.506 2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.111 1.984 2.277 1.00 0.00 H new ATOM 1207 N SER A 75 -15.362 0.737 0.676 1.00 0.00 N ATOM 1208 CA SER A 75 -14.779 0.074 -0.524 1.00 0.00 C ATOM 1209 C SER A 75 -13.424 -0.536 -0.159 1.00 0.00 C ATOM 1210 O SER A 75 -12.901 -0.309 0.914 1.00 0.00 O ATOM 1211 CB SER A 75 -14.590 1.107 -1.634 1.00 0.00 C ATOM 1212 OG SER A 75 -15.859 1.622 -2.018 1.00 0.00 O ATOM 0 H SER A 75 -14.904 1.604 0.958 1.00 0.00 H new ATOM 0 HA SER A 75 -15.451 -0.712 -0.869 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.946 1.916 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 75 -14.096 0.650 -2.491 1.00 0.00 H new ATOM 0 HG SER A 75 -15.741 2.286 -2.729 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.851 -1.307 -1.042 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.530 -1.929 -0.742 1.00 0.00 C ATOM 1220 C PHE A 76 -10.760 -2.164 -2.045 1.00 0.00 C ATOM 1221 O PHE A 76 -11.219 -2.854 -2.934 1.00 0.00 O ATOM 1222 CB PHE A 76 -11.744 -3.267 -0.030 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.830 -3.360 1.170 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.530 -2.847 1.103 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.285 -3.963 2.349 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.684 -2.936 2.217 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.439 -4.051 3.461 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.139 -3.539 3.394 1.00 0.00 C ATOM 0 H PHE A 76 -13.240 -1.533 -1.957 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.957 -1.261 -0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.783 -3.360 0.285 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.544 -4.090 -0.716 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.179 -2.383 0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.288 -4.360 2.401 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.681 -2.539 2.166 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.790 -4.514 4.371 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.486 -3.609 4.252 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.593 -1.593 -2.160 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.782 -1.775 -3.400 1.00 0.00 C ATOM 1240 C TRP A 77 -8.079 -3.139 -3.363 1.00 0.00 C ATOM 1241 O TRP A 77 -7.542 -3.540 -2.350 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.721 -0.674 -3.468 1.00 0.00 C ATOM 1243 CG TRP A 77 -8.234 0.478 -4.262 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.458 1.721 -3.775 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -8.575 0.522 -5.672 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -8.916 2.525 -4.802 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -9.005 1.831 -5.992 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.553 -0.440 -6.696 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -9.396 2.173 -7.283 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.946 -0.098 -7.997 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -9.364 1.205 -8.289 1.00 0.00 C ATOM 0 H TRP A 77 -9.163 -1.005 -1.446 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.435 -1.724 -4.271 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.460 -0.346 -2.462 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.810 -1.063 -3.923 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -8.304 2.033 -2.753 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -9.158 3.510 -4.694 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.232 -1.448 -6.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.721 3.179 -7.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.926 -0.844 -8.778 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.662 1.463 -9.294 1.00 0.00 H new ATOM 1262 N ARG A 78 -8.068 -3.852 -4.462 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.387 -5.184 -4.482 1.00 0.00 C ATOM 1264 C ARG A 78 -6.768 -5.426 -5.859 1.00 0.00 C ATOM 1265 O ARG A 78 -7.144 -4.814 -6.835 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.381 -6.327 -4.194 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.777 -5.786 -3.862 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.614 -5.741 -5.139 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.412 -6.995 -5.253 1.00 0.00 N ATOM 1270 CZ ARG A 78 -10.857 -8.148 -4.989 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -10.081 -8.716 -5.871 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -11.077 -8.732 -3.843 1.00 0.00 N ATOM 0 H ARG A 78 -8.499 -3.571 -5.343 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.619 -5.174 -3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -8.441 -6.985 -5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.015 -6.928 -3.362 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.259 -6.421 -3.119 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -9.700 -4.789 -3.428 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.277 -4.876 -5.122 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.966 -5.629 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.391 -6.953 -5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.908 -8.260 -6.767 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -9.648 -9.616 -5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.683 -8.288 -3.153 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.643 -9.632 -3.638 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.830 -6.333 -5.941 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.198 -6.639 -7.263 1.00 0.00 C ATOM 1288 C ILE A 79 -5.780 -7.952 -7.788 1.00 0.00 C ATOM 1289 O ILE A 79 -6.184 -8.807 -7.025 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.679 -6.775 -7.097 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.025 -7.121 -8.438 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.368 -7.881 -6.107 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -1.991 -6.051 -8.793 1.00 0.00 C ATOM 0 H ILE A 79 -5.474 -6.875 -5.154 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.402 -5.832 -7.967 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.286 -5.825 -6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.547 -8.099 -8.380 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.783 -7.183 -9.219 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.288 -7.974 -5.993 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.816 -7.642 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.776 -8.823 -6.474 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.526 -6.297 -9.747 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -2.482 -5.081 -8.869 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.227 -6.011 -8.016 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.834 -8.124 -9.080 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.402 -9.385 -9.630 1.00 0.00 C ATOM 1307 C ASP A 80 -5.612 -10.574 -9.069 1.00 0.00 C ATOM 1308 O ASP A 80 -4.423 -10.474 -8.840 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.299 -9.372 -11.156 1.00 0.00 C ATOM 1310 CG ASP A 80 -7.497 -8.621 -11.742 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -8.615 -8.969 -11.399 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.276 -7.710 -12.524 1.00 0.00 O ATOM 0 H ASP A 80 -5.511 -7.450 -9.774 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.450 -9.473 -9.345 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.370 -8.893 -11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.274 -10.393 -11.538 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.310 -11.657 -8.839 1.00 0.00 N ATOM 1318 CA PRO A 81 -5.717 -12.882 -8.271 1.00 0.00 C ATOM 1319 C PRO A 81 -4.966 -13.695 -9.332 1.00 0.00 C ATOM 1320 O PRO A 81 -3.832 -14.084 -9.137 1.00 0.00 O ATOM 1321 CB PRO A 81 -6.934 -13.658 -7.757 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.156 -13.133 -8.552 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.756 -11.761 -9.125 1.00 0.00 C ATOM 0 HA PRO A 81 -4.980 -12.667 -7.497 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -6.804 -14.730 -7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.071 -13.502 -6.687 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.423 -13.824 -9.352 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.029 -13.043 -7.905 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.956 -11.703 -10.195 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.315 -10.953 -8.652 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.591 -13.976 -10.442 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.909 -14.787 -11.494 1.00 0.00 C ATOM 1333 C ALA A 82 -3.830 -13.961 -12.196 1.00 0.00 C ATOM 1334 O ALA A 82 -3.162 -14.439 -13.091 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.939 -15.261 -12.521 1.00 0.00 C ATOM 0 H ALA A 82 -6.541 -13.681 -10.667 1.00 0.00 H new ATOM 0 HA ALA A 82 -4.437 -15.648 -11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.441 -15.853 -13.289 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.694 -15.871 -12.025 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.417 -14.397 -12.982 1.00 0.00 H new ATOM 1341 N SER A 83 -3.634 -12.737 -11.798 1.00 0.00 N ATOM 1342 CA SER A 83 -2.582 -11.915 -12.445 1.00 0.00 C ATOM 1343 C SER A 83 -1.560 -11.513 -11.388 1.00 0.00 C ATOM 1344 O SER A 83 -0.497 -11.035 -11.699 1.00 0.00 O ATOM 1345 CB SER A 83 -3.207 -10.655 -13.048 1.00 0.00 C ATOM 1346 OG SER A 83 -4.072 -11.022 -14.114 1.00 0.00 O ATOM 0 H SER A 83 -4.156 -12.273 -11.055 1.00 0.00 H new ATOM 0 HA SER A 83 -2.101 -12.489 -13.237 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.763 -10.110 -12.285 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.427 -9.987 -13.412 1.00 0.00 H new ATOM 0 HG SER A 83 -4.475 -10.217 -14.501 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.885 -11.697 -10.138 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.947 -11.304 -9.050 1.00 0.00 C ATOM 1354 C GLU A 84 0.389 -12.030 -9.190 1.00 0.00 C ATOM 1355 O GLU A 84 1.409 -11.523 -8.776 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.569 -11.650 -7.697 1.00 0.00 C ATOM 1357 CG GLU A 84 -0.535 -11.435 -6.590 1.00 0.00 C ATOM 1358 CD GLU A 84 -1.218 -10.837 -5.359 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -2.322 -10.338 -5.503 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -0.626 -10.888 -4.293 1.00 0.00 O ATOM 0 H GLU A 84 -2.765 -12.105 -9.822 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.767 -10.231 -9.120 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.445 -11.026 -7.517 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.909 -12.686 -7.695 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -0.062 -12.382 -6.332 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.254 -10.769 -6.940 1.00 0.00 H new ATOM 1367 N ALA A 85 0.407 -13.205 -9.752 1.00 0.00 N ATOM 1368 CA ALA A 85 1.709 -13.925 -9.880 1.00 0.00 C ATOM 1369 C ALA A 85 2.551 -13.297 -10.994 1.00 0.00 C ATOM 1370 O ALA A 85 3.762 -13.393 -10.990 1.00 0.00 O ATOM 1371 CB ALA A 85 1.454 -15.399 -10.203 1.00 0.00 C ATOM 0 H ALA A 85 -0.407 -13.694 -10.124 1.00 0.00 H new ATOM 0 HA ALA A 85 2.249 -13.847 -8.937 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.406 -15.921 -10.296 1.00 0.00 H new ATOM 0 HB2 ALA A 85 0.869 -15.851 -9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 85 0.905 -15.476 -11.142 1.00 0.00 H new ATOM 1377 N LYS A 86 1.934 -12.657 -11.950 1.00 0.00 N ATOM 1378 CA LYS A 86 2.727 -12.040 -13.048 1.00 0.00 C ATOM 1379 C LYS A 86 3.097 -10.600 -12.678 1.00 0.00 C ATOM 1380 O LYS A 86 4.193 -10.147 -12.943 1.00 0.00 O ATOM 1381 CB LYS A 86 1.912 -12.054 -14.343 1.00 0.00 C ATOM 1382 CG LYS A 86 0.594 -11.306 -14.144 1.00 0.00 C ATOM 1383 CD LYS A 86 -0.037 -11.019 -15.508 1.00 0.00 C ATOM 1384 CE LYS A 86 -0.133 -9.507 -15.718 1.00 0.00 C ATOM 1385 NZ LYS A 86 1.236 -8.935 -15.860 1.00 0.00 N ATOM 0 H LYS A 86 0.923 -12.536 -12.017 1.00 0.00 H new ATOM 0 HA LYS A 86 3.642 -12.613 -13.196 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.484 -11.590 -15.147 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.713 -13.082 -14.645 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.086 -11.901 -13.534 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.770 -10.373 -13.608 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.562 -11.469 -16.300 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.029 -11.468 -15.564 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -0.723 -9.290 -16.608 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.646 -9.044 -14.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 1.169 -7.955 -16.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.715 -8.948 -14.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.781 -9.503 -16.540 1.00 0.00 H new ATOM 1399 N LEU A 87 2.199 -9.873 -12.065 1.00 0.00 N ATOM 1400 CA LEU A 87 2.523 -8.469 -11.687 1.00 0.00 C ATOM 1401 C LEU A 87 3.598 -8.472 -10.619 1.00 0.00 C ATOM 1402 O LEU A 87 4.629 -7.842 -10.751 1.00 0.00 O ATOM 1403 CB LEU A 87 1.286 -7.731 -11.150 1.00 0.00 C ATOM 1404 CG LEU A 87 0.363 -8.662 -10.344 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.216 -8.137 -8.918 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.027 -8.682 -10.987 1.00 0.00 C ATOM 0 H LEU A 87 1.263 -10.189 -11.812 1.00 0.00 H new ATOM 0 HA LEU A 87 2.872 -7.951 -12.580 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.605 -6.901 -10.519 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.730 -7.302 -11.983 1.00 0.00 H new ATOM 0 HG LEU A 87 0.795 -9.663 -10.334 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.438 -8.800 -8.352 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.195 -8.100 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.214 -7.136 -8.941 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.682 -9.341 -10.417 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.441 -7.674 -10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -0.949 -9.046 -12.012 1.00 0.00 H new ATOM 1418 N VAL A 88 3.360 -9.176 -9.564 1.00 0.00 N ATOM 1419 CA VAL A 88 4.352 -9.236 -8.470 1.00 0.00 C ATOM 1420 C VAL A 88 5.767 -9.364 -9.038 1.00 0.00 C ATOM 1421 O VAL A 88 6.722 -8.894 -8.451 1.00 0.00 O ATOM 1422 CB VAL A 88 4.071 -10.460 -7.630 1.00 0.00 C ATOM 1423 CG1 VAL A 88 2.788 -10.267 -6.820 1.00 0.00 C ATOM 1424 CG2 VAL A 88 3.934 -11.674 -8.549 1.00 0.00 C ATOM 0 H VAL A 88 2.511 -9.720 -9.408 1.00 0.00 H new ATOM 0 HA VAL A 88 4.280 -8.325 -7.877 1.00 0.00 H new ATOM 0 HB VAL A 88 4.895 -10.618 -6.934 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.599 -11.157 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.898 -9.404 -6.164 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.951 -10.102 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.731 -12.562 -7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.113 -11.511 -9.247 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.860 -11.815 -9.106 1.00 0.00 H new ATOM 1434 N GLU A 89 5.918 -10.006 -10.164 1.00 0.00 N ATOM 1435 CA GLU A 89 7.283 -10.160 -10.741 1.00 0.00 C ATOM 1436 C GLU A 89 7.905 -8.775 -10.877 1.00 0.00 C ATOM 1437 O GLU A 89 8.974 -8.509 -10.363 1.00 0.00 O ATOM 1438 CB GLU A 89 7.200 -10.828 -12.115 1.00 0.00 C ATOM 1439 CG GLU A 89 8.513 -11.563 -12.401 1.00 0.00 C ATOM 1440 CD GLU A 89 8.239 -12.770 -13.301 1.00 0.00 C ATOM 1441 OE1 GLU A 89 7.126 -12.880 -13.788 1.00 0.00 O ATOM 1442 OE2 GLU A 89 9.147 -13.562 -13.488 1.00 0.00 O ATOM 0 H GLU A 89 5.163 -10.427 -10.705 1.00 0.00 H new ATOM 0 HA GLU A 89 7.894 -10.785 -10.089 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.365 -11.528 -12.142 1.00 0.00 H new ATOM 0 HB3 GLU A 89 7.014 -10.080 -12.885 1.00 0.00 H new ATOM 0 HG2 GLU A 89 9.221 -10.890 -12.884 1.00 0.00 H new ATOM 0 HG3 GLU A 89 8.970 -11.889 -11.467 1.00 0.00 H new ATOM 1449 N GLN A 90 7.232 -7.877 -11.537 1.00 0.00 N ATOM 1450 CA GLN A 90 7.778 -6.503 -11.668 1.00 0.00 C ATOM 1451 C GLN A 90 7.743 -5.847 -10.287 1.00 0.00 C ATOM 1452 O GLN A 90 8.407 -4.862 -10.034 1.00 0.00 O ATOM 1453 CB GLN A 90 6.917 -5.698 -12.646 1.00 0.00 C ATOM 1454 CG GLN A 90 7.673 -4.439 -13.079 1.00 0.00 C ATOM 1455 CD GLN A 90 7.635 -4.321 -14.604 1.00 0.00 C ATOM 1456 OE1 GLN A 90 7.869 -5.284 -15.305 1.00 0.00 O ATOM 1457 NE2 GLN A 90 7.348 -3.171 -15.150 1.00 0.00 N ATOM 0 H GLN A 90 6.331 -8.035 -11.989 1.00 0.00 H new ATOM 0 HA GLN A 90 8.800 -6.534 -12.046 1.00 0.00 H new ATOM 0 HB2 GLN A 90 6.673 -6.306 -13.517 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.973 -5.424 -12.175 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.223 -3.557 -12.624 1.00 0.00 H new ATOM 0 HG3 GLN A 90 8.705 -4.485 -12.733 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.151 -2.362 -14.561 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.320 -3.081 -16.166 1.00 0.00 H new ATOM 1466 N ALA A 91 6.967 -6.400 -9.390 1.00 0.00 N ATOM 1467 CA ALA A 91 6.877 -5.828 -8.019 1.00 0.00 C ATOM 1468 C ALA A 91 8.148 -6.154 -7.235 1.00 0.00 C ATOM 1469 O ALA A 91 8.476 -5.498 -6.267 1.00 0.00 O ATOM 1470 CB ALA A 91 5.663 -6.409 -7.300 1.00 0.00 C ATOM 0 H ALA A 91 6.391 -7.226 -9.552 1.00 0.00 H new ATOM 0 HA ALA A 91 6.770 -4.745 -8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.599 -5.989 -6.296 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.758 -6.161 -7.855 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.763 -7.492 -7.234 1.00 0.00 H new ATOM 1476 N PHE A 92 8.872 -7.157 -7.647 1.00 0.00 N ATOM 1477 CA PHE A 92 10.124 -7.513 -6.921 1.00 0.00 C ATOM 1478 C PHE A 92 11.301 -6.751 -7.533 1.00 0.00 C ATOM 1479 O PHE A 92 12.318 -6.550 -6.900 1.00 0.00 O ATOM 1480 CB PHE A 92 10.372 -9.018 -7.034 1.00 0.00 C ATOM 1481 CG PHE A 92 9.293 -9.763 -6.285 1.00 0.00 C ATOM 1482 CD1 PHE A 92 8.857 -9.298 -5.038 1.00 0.00 C ATOM 1483 CD2 PHE A 92 8.727 -10.917 -6.839 1.00 0.00 C ATOM 1484 CE1 PHE A 92 7.855 -9.988 -4.345 1.00 0.00 C ATOM 1485 CE2 PHE A 92 7.725 -11.607 -6.146 1.00 0.00 C ATOM 1486 CZ PHE A 92 7.290 -11.143 -4.898 1.00 0.00 C ATOM 0 H PHE A 92 8.653 -7.744 -8.452 1.00 0.00 H new ATOM 0 HA PHE A 92 10.024 -7.243 -5.870 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.377 -9.319 -8.082 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.352 -9.268 -6.626 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.294 -8.407 -4.611 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.063 -11.275 -7.801 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.518 -9.629 -3.384 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.288 -12.497 -6.574 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.519 -11.676 -4.362 1.00 0.00 H new ATOM 1496 N ARG A 93 11.172 -6.323 -8.759 1.00 0.00 N ATOM 1497 CA ARG A 93 12.286 -5.574 -9.406 1.00 0.00 C ATOM 1498 C ARG A 93 12.467 -4.227 -8.701 1.00 0.00 C ATOM 1499 O ARG A 93 11.576 -3.402 -8.680 1.00 0.00 O ATOM 1500 CB ARG A 93 11.953 -5.336 -10.881 1.00 0.00 C ATOM 1501 CG ARG A 93 12.030 -6.662 -11.641 1.00 0.00 C ATOM 1502 CD ARG A 93 12.383 -6.392 -13.106 1.00 0.00 C ATOM 1503 NE ARG A 93 13.099 -7.570 -13.672 1.00 0.00 N ATOM 1504 CZ ARG A 93 14.030 -7.399 -14.573 1.00 0.00 C ATOM 1505 NH1 ARG A 93 13.863 -6.524 -15.528 1.00 0.00 N ATOM 1506 NH2 ARG A 93 15.127 -8.104 -14.518 1.00 0.00 N ATOM 0 H ARG A 93 10.345 -6.459 -9.340 1.00 0.00 H new ATOM 0 HA ARG A 93 13.207 -6.153 -9.331 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.955 -4.908 -10.975 1.00 0.00 H new ATOM 0 HB3 ARG A 93 12.650 -4.617 -11.311 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.781 -7.310 -11.188 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.076 -7.186 -11.576 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.477 -6.195 -13.679 1.00 0.00 H new ATOM 0 HD3 ARG A 93 13.008 -5.502 -13.182 1.00 0.00 H new ATOM 0 HE ARG A 93 12.862 -8.510 -13.356 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.005 -5.973 -15.571 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.590 -6.391 -16.231 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.257 -8.788 -13.772 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.854 -7.971 -15.221 1.00 0.00 H new ATOM 1520 N LYS A 94 13.613 -4.000 -8.122 1.00 0.00 N ATOM 1521 CA LYS A 94 13.848 -2.710 -7.418 1.00 0.00 C ATOM 1522 C LYS A 94 14.380 -1.676 -8.412 1.00 0.00 C ATOM 1523 O LYS A 94 14.641 -1.978 -9.559 1.00 0.00 O ATOM 1524 CB LYS A 94 14.873 -2.916 -6.302 1.00 0.00 C ATOM 1525 CG LYS A 94 14.678 -4.298 -5.676 1.00 0.00 C ATOM 1526 CD LYS A 94 15.599 -4.444 -4.463 1.00 0.00 C ATOM 1527 CE LYS A 94 14.856 -5.171 -3.341 1.00 0.00 C ATOM 1528 NZ LYS A 94 15.479 -4.831 -2.031 1.00 0.00 N ATOM 0 H LYS A 94 14.397 -4.653 -8.106 1.00 0.00 H new ATOM 0 HA LYS A 94 12.911 -2.355 -6.990 1.00 0.00 H new ATOM 0 HB2 LYS A 94 15.883 -2.825 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.760 -2.142 -5.543 1.00 0.00 H new ATOM 0 HG2 LYS A 94 13.639 -4.429 -5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 94 14.898 -5.075 -6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 94 16.496 -4.999 -4.739 1.00 0.00 H new ATOM 0 HD3 LYS A 94 15.925 -3.462 -4.121 1.00 0.00 H new ATOM 0 HE2 LYS A 94 13.804 -4.884 -3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 94 14.892 -6.248 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 14.974 -5.325 -1.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 16.476 -5.126 -2.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.422 -3.804 -1.876 1.00 0.00 H new ATOM 1542 N ARG A 95 14.547 -0.457 -7.978 1.00 0.00 N ATOM 1543 CA ARG A 95 15.065 0.596 -8.892 1.00 0.00 C ATOM 1544 C ARG A 95 16.078 1.459 -8.140 1.00 0.00 C ATOM 1545 O ARG A 95 16.102 2.667 -8.269 1.00 0.00 O ATOM 1546 CB ARG A 95 13.904 1.465 -9.382 1.00 0.00 C ATOM 1547 CG ARG A 95 12.854 0.574 -10.049 1.00 0.00 C ATOM 1548 CD ARG A 95 11.637 1.416 -10.435 1.00 0.00 C ATOM 1549 NE ARG A 95 12.078 2.593 -11.237 1.00 0.00 N ATOM 1550 CZ ARG A 95 13.038 2.465 -12.112 1.00 0.00 C ATOM 1551 NH1 ARG A 95 13.103 1.397 -12.858 1.00 0.00 N ATOM 1552 NH2 ARG A 95 13.934 3.406 -12.239 1.00 0.00 N ATOM 0 H ARG A 95 14.346 -0.146 -7.028 1.00 0.00 H new ATOM 0 HA ARG A 95 15.550 0.132 -9.751 1.00 0.00 H new ATOM 0 HB2 ARG A 95 13.461 2.006 -8.546 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.266 2.212 -10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.276 0.098 -10.935 1.00 0.00 H new ATOM 0 HG3 ARG A 95 12.556 -0.225 -9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 95 10.933 0.814 -11.010 1.00 0.00 H new ATOM 0 HD3 ARG A 95 11.113 1.749 -9.539 1.00 0.00 H new ATOM 0 HE ARG A 95 11.629 3.499 -11.102 1.00 0.00 H new ATOM 0 HH11 ARG A 95 12.403 0.662 -12.758 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.853 1.297 -13.542 1.00 0.00 H new ATOM 0 HH21 ARG A 95 13.884 4.240 -11.655 1.00 0.00 H new ATOM 0 HH22 ARG A 95 14.685 3.307 -12.923 1.00 0.00 H new ATOM 1566 N ARG A 96 16.915 0.841 -7.354 1.00 0.00 N ATOM 1567 CA ARG A 96 17.934 1.608 -6.587 1.00 0.00 C ATOM 1568 C ARG A 96 18.770 0.635 -5.753 1.00 0.00 C ATOM 1569 O ARG A 96 18.330 -0.448 -5.422 1.00 0.00 O ATOM 1570 CB ARG A 96 17.233 2.606 -5.662 1.00 0.00 C ATOM 1571 CG ARG A 96 16.284 1.856 -4.725 1.00 0.00 C ATOM 1572 CD ARG A 96 16.677 2.126 -3.270 1.00 0.00 C ATOM 1573 NE ARG A 96 16.161 1.027 -2.405 1.00 0.00 N ATOM 1574 CZ ARG A 96 16.283 1.102 -1.106 1.00 0.00 C ATOM 1575 NH1 ARG A 96 16.901 2.117 -0.561 1.00 0.00 N ATOM 1576 NH2 ARG A 96 15.789 0.159 -0.352 1.00 0.00 N ATOM 0 H ARG A 96 16.936 -0.169 -7.210 1.00 0.00 H new ATOM 0 HA ARG A 96 18.582 2.150 -7.276 1.00 0.00 H new ATOM 0 HB2 ARG A 96 17.971 3.160 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 96 16.678 3.336 -6.251 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.257 2.176 -4.900 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.324 0.786 -4.930 1.00 0.00 H new ATOM 0 HD2 ARG A 96 17.761 2.195 -3.181 1.00 0.00 H new ATOM 0 HD3 ARG A 96 16.269 3.083 -2.943 1.00 0.00 H new ATOM 0 HE ARG A 96 15.712 0.215 -2.828 1.00 0.00 H new ATOM 0 HH11 ARG A 96 17.290 2.853 -1.150 1.00 0.00 H new ATOM 0 HH12 ARG A 96 16.994 2.172 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.309 -0.634 -0.777 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.883 0.215 0.662 1.00 0.00 H new ATOM 1590 N GLN A 97 19.972 1.009 -5.412 1.00 0.00 N ATOM 1591 CA GLN A 97 20.832 0.099 -4.603 1.00 0.00 C ATOM 1592 C GLN A 97 21.484 0.886 -3.465 1.00 0.00 C ATOM 1593 O GLN A 97 21.804 2.050 -3.606 1.00 0.00 O ATOM 1594 CB GLN A 97 21.924 -0.497 -5.495 1.00 0.00 C ATOM 1595 CG GLN A 97 22.617 0.624 -6.272 1.00 0.00 C ATOM 1596 CD GLN A 97 23.928 0.102 -6.860 1.00 0.00 C ATOM 1597 OE1 GLN A 97 24.919 -0.008 -6.164 1.00 0.00 O ATOM 1598 NE2 GLN A 97 23.977 -0.228 -8.121 1.00 0.00 N ATOM 0 H GLN A 97 20.396 1.904 -5.658 1.00 0.00 H new ATOM 0 HA GLN A 97 20.220 -0.702 -4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 97 22.651 -1.036 -4.887 1.00 0.00 H new ATOM 0 HB3 GLN A 97 21.490 -1.219 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 97 21.967 0.984 -7.069 1.00 0.00 H new ATOM 0 HG3 GLN A 97 22.813 1.470 -5.613 1.00 0.00 H new ATOM 0 HE21 GLN A 97 23.146 -0.136 -8.705 1.00 0.00 H new ATOM 0 HE22 GLN A 97 24.847 -0.578 -8.523 1.00 0.00 H new ATOM 1607 N ARG A 98 21.685 0.260 -2.337 1.00 0.00 N ATOM 1608 CA ARG A 98 22.318 0.971 -1.193 1.00 0.00 C ATOM 1609 C ARG A 98 23.752 1.351 -1.566 1.00 0.00 C ATOM 1610 O ARG A 98 24.605 0.502 -1.734 1.00 0.00 O ATOM 1611 CB ARG A 98 22.335 0.054 0.031 1.00 0.00 C ATOM 1612 CG ARG A 98 20.954 0.054 0.689 1.00 0.00 C ATOM 1613 CD ARG A 98 21.113 0.029 2.209 1.00 0.00 C ATOM 1614 NE ARG A 98 21.736 1.304 2.664 1.00 0.00 N ATOM 1615 CZ ARG A 98 20.983 2.288 3.070 1.00 0.00 C ATOM 1616 NH1 ARG A 98 20.034 2.068 3.941 1.00 0.00 N ATOM 1617 NH2 ARG A 98 21.178 3.494 2.608 1.00 0.00 N ATOM 0 H ARG A 98 21.438 -0.714 -2.160 1.00 0.00 H new ATOM 0 HA ARG A 98 21.749 1.872 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 98 22.609 -0.959 -0.264 1.00 0.00 H new ATOM 0 HB3 ARG A 98 23.088 0.393 0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 98 20.395 0.939 0.386 1.00 0.00 H new ATOM 0 HG3 ARG A 98 20.382 -0.813 0.358 1.00 0.00 H new ATOM 0 HD2 ARG A 98 20.141 -0.104 2.685 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.732 -0.817 2.507 1.00 0.00 H new ATOM 0 HE ARG A 98 22.751 1.407 2.658 1.00 0.00 H new ATOM 0 HH11 ARG A 98 19.882 1.127 4.303 1.00 0.00 H new ATOM 0 HH12 ARG A 98 19.445 2.838 4.259 1.00 0.00 H new ATOM 0 HH21 ARG A 98 21.920 3.666 1.929 1.00 0.00 H new ATOM 0 HH22 ARG A 98 20.589 4.263 2.926 1.00 0.00 H new ATOM 1631 N GLY A 99 24.023 2.620 -1.702 1.00 0.00 N ATOM 1632 CA GLY A 99 25.401 3.053 -2.070 1.00 0.00 C ATOM 1633 C GLY A 99 26.266 3.135 -0.811 1.00 0.00 C ATOM 1634 O GLY A 99 26.682 4.201 -0.401 1.00 0.00 O ATOM 0 H GLY A 99 23.350 3.376 -1.574 1.00 0.00 H new ATOM 0 HA2 GLY A 99 25.838 2.349 -2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 99 25.368 4.024 -2.565 1.00 0.00 H new ATOM 1638 N VAL A 100 26.546 2.019 -0.195 1.00 0.00 N ATOM 1639 CA VAL A 100 27.389 2.038 1.033 1.00 0.00 C ATOM 1640 C VAL A 100 28.789 1.525 0.695 1.00 0.00 C ATOM 1641 O VAL A 100 29.754 1.841 1.360 1.00 0.00 O ATOM 1642 CB VAL A 100 26.758 1.139 2.098 1.00 0.00 C ATOM 1643 CG1 VAL A 100 27.614 1.170 3.366 1.00 0.00 C ATOM 1644 CG2 VAL A 100 25.352 1.646 2.423 1.00 0.00 C ATOM 0 H VAL A 100 26.227 1.096 -0.489 1.00 0.00 H new ATOM 0 HA VAL A 100 27.457 3.057 1.413 1.00 0.00 H new ATOM 0 HB VAL A 100 26.701 0.117 1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 100 27.164 0.529 4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 100 28.617 0.811 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 100 27.671 2.192 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 100 24.901 1.006 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 100 25.411 2.668 2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 100 24.740 1.626 1.521 1.00 0.00 H new ATOM 1654 N SER A 101 28.907 0.734 -0.337 1.00 0.00 N ATOM 1655 CA SER A 101 30.245 0.203 -0.718 1.00 0.00 C ATOM 1656 C SER A 101 31.169 1.368 -1.083 1.00 0.00 C ATOM 1657 O SER A 101 32.372 1.169 -1.072 1.00 0.00 O ATOM 1658 CB SER A 101 30.102 -0.730 -1.921 1.00 0.00 C ATOM 1659 OG SER A 101 28.761 -1.199 -1.993 1.00 0.00 O ATOM 1660 OXT SER A 101 30.656 2.439 -1.365 1.00 0.00 O ATOM 0 H SER A 101 28.135 0.433 -0.932 1.00 0.00 H new ATOM 0 HA SER A 101 30.669 -0.350 0.120 1.00 0.00 H new ATOM 0 HB2 SER A 101 30.365 -0.203 -2.838 1.00 0.00 H new ATOM 0 HB3 SER A 101 30.789 -1.571 -1.828 1.00 0.00 H new ATOM 0 HG SER A 101 28.664 -1.796 -2.764 1.00 0.00 H new TER 1666 SER A 101