USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 711 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 51 GLN : amide:sc= -2.1! X(o=-0.92!,f=-0.68) USER MOD Set 1.2: A 94 SER OG : rot 163:sc= 1.18 USER MOD Set 2.1: A 65 SER OG : rot -39:sc= 0.916 USER MOD Set 2.2: A 66 ASN :FLIP amide:sc= -0.265 F(o=-2.1!,f=0.65) USER MOD Set 3.1: A 54 ASN : amide:sc= -2.42! C(o=-2!,f=-1.9!) USER MOD Set 3.2: A 93 SER OG : rot -140:sc= 0.381 USER MOD Set 4.1: A 31 SER OG : rot -61:sc= 1.25 USER MOD Set 4.2: A 104 SER OG : rot -114:sc= 2.42 USER MOD Single : A 15 THR OG1 : rot -120:sc= 0.852 USER MOD Single : A 19 GLN : amide:sc= -20.2! C(o=-20!,f=-20!) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.963 F(o=-2.6!,f=-0.96) USER MOD Single : A 35 HIS : no HD1:sc= -0.181 X(o=-0.18,f=0) USER MOD Single : A 41 GLN :FLIP amide:sc= -1.9 F(o=-3.3!,f=-1.9) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -2.62 F(o=-6.4!,f=-2.6) USER MOD Single : A 68 THR OG1 : rot 160:sc= -0.336 USER MOD Single : A 71 THR OG1 : rot -160:sc= 0.625 USER MOD Single : A 80 SER OG : rot 24:sc= 0.6 USER MOD Single : A 85 SER OG : rot 71:sc= 1.06 USER MOD Single : A 88 TYR OH : rot -32:sc= -2.8! USER MOD Single : A 92 THR OG1 : rot 8:sc= 0.572 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 174:sc= -2.08! USER MOD Single : A 101 THR OG1 : rot 134:sc= 0.752 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= -3.15! C(o=-3.1!,f=-2.8!) USER MOD Single : A 108 SER OG : rot -52:sc= 0.556 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 14 -7.124 21.149 -6.888 1.00 0.00 N ATOM 2 CA PRO A 14 -5.796 21.007 -6.249 1.00 0.00 C ATOM 3 C PRO A 14 -5.578 19.584 -5.720 1.00 0.00 C ATOM 4 O PRO A 14 -4.757 19.367 -4.850 1.00 0.00 O ATOM 5 CB PRO A 14 -5.821 22.011 -5.093 1.00 0.00 C ATOM 6 CG PRO A 14 -7.320 22.336 -4.827 1.00 0.00 C ATOM 7 CD PRO A 14 -8.110 21.906 -6.080 1.00 0.00 C ATOM 0 HA PRO A 14 -4.984 21.193 -6.952 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.351 21.591 -4.204 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.267 22.914 -5.351 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.678 21.804 -3.945 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.454 23.400 -4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.968 21.288 -5.817 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.493 22.769 -6.625 1.00 0.00 H new ATOM 15 N THR A 15 -6.281 18.647 -6.300 1.00 0.00 N ATOM 16 CA THR A 15 -6.150 17.235 -5.855 1.00 0.00 C ATOM 17 C THR A 15 -5.611 16.467 -7.054 1.00 0.00 C ATOM 18 O THR A 15 -5.965 16.745 -8.182 1.00 0.00 O ATOM 19 CB THR A 15 -7.540 16.703 -5.449 1.00 0.00 C ATOM 20 OG1 THR A 15 -7.280 15.747 -4.426 1.00 0.00 O ATOM 21 CG2 THR A 15 -8.172 15.895 -6.587 1.00 0.00 C ATOM 0 H THR A 15 -6.940 18.802 -7.063 1.00 0.00 H new ATOM 0 HA THR A 15 -5.488 17.130 -4.996 1.00 0.00 H new ATOM 0 HB THR A 15 -8.191 17.531 -5.170 1.00 0.00 H new ATOM 0 HG1 THR A 15 -7.622 14.871 -4.702 1.00 0.00 H new ATOM 0 HG21 THR A 15 -9.151 15.531 -6.275 1.00 0.00 H new ATOM 0 HG22 THR A 15 -8.284 16.530 -7.466 1.00 0.00 H new ATOM 0 HG23 THR A 15 -7.531 15.048 -6.831 1.00 0.00 H new ATOM 29 N LEU A 16 -4.763 15.520 -6.788 1.00 0.00 N ATOM 30 CA LEU A 16 -4.183 14.738 -7.904 1.00 0.00 C ATOM 31 C LEU A 16 -4.756 13.328 -7.929 1.00 0.00 C ATOM 32 O LEU A 16 -4.624 12.555 -6.994 1.00 0.00 O ATOM 33 CB LEU A 16 -2.668 14.682 -7.733 1.00 0.00 C ATOM 34 CG LEU A 16 -2.041 15.821 -8.536 1.00 0.00 C ATOM 35 CD1 LEU A 16 -2.345 17.150 -7.838 1.00 0.00 C ATOM 36 CD2 LEU A 16 -0.526 15.612 -8.573 1.00 0.00 C ATOM 0 H LEU A 16 -4.449 15.256 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.433 15.222 -8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.403 14.772 -6.680 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.284 13.722 -8.077 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.445 15.836 -9.548 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.901 17.968 -8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.424 17.292 -7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.926 17.137 -6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.061 16.417 -9.143 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.133 15.614 -7.556 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.302 14.656 -9.046 1.00 0.00 H new ATOM 48 N PRO A 17 -5.324 13.086 -9.083 1.00 0.00 N ATOM 49 CA PRO A 17 -6.792 13.012 -9.284 1.00 0.00 C ATOM 50 C PRO A 17 -7.386 11.608 -9.163 1.00 0.00 C ATOM 51 O PRO A 17 -8.571 11.427 -9.364 1.00 0.00 O ATOM 52 CB PRO A 17 -6.995 13.532 -10.708 1.00 0.00 C ATOM 53 CG PRO A 17 -5.634 13.338 -11.436 1.00 0.00 C ATOM 54 CD PRO A 17 -4.558 13.160 -10.343 1.00 0.00 C ATOM 0 HA PRO A 17 -7.300 13.584 -8.508 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.789 12.983 -11.214 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.287 14.582 -10.702 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.667 12.466 -12.090 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.407 14.199 -12.064 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -3.972 12.255 -10.506 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.858 13.996 -10.334 1.00 0.00 H new ATOM 62 N GLU A 18 -6.576 10.640 -8.835 1.00 0.00 N ATOM 63 CA GLU A 18 -7.143 9.270 -8.692 1.00 0.00 C ATOM 64 C GLU A 18 -7.814 9.227 -7.325 1.00 0.00 C ATOM 65 O GLU A 18 -8.278 8.203 -6.867 1.00 0.00 O ATOM 66 CB GLU A 18 -6.004 8.251 -8.772 1.00 0.00 C ATOM 67 CG GLU A 18 -5.660 8.028 -10.249 1.00 0.00 C ATOM 68 CD GLU A 18 -4.395 7.171 -10.344 1.00 0.00 C ATOM 69 OE1 GLU A 18 -3.351 7.716 -10.025 1.00 0.00 O ATOM 70 OE2 GLU A 18 -4.547 6.023 -10.727 1.00 0.00 O ATOM 0 H GLU A 18 -5.575 10.732 -8.664 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.861 9.033 -9.477 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.131 8.614 -8.230 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.301 7.312 -8.305 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.488 7.534 -10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.505 8.985 -10.748 1.00 0.00 H new ATOM 77 N GLN A 19 -7.838 10.386 -6.725 1.00 0.00 N ATOM 78 CA GLN A 19 -8.464 10.551 -5.389 1.00 0.00 C ATOM 79 C GLN A 19 -8.998 11.984 -5.284 1.00 0.00 C ATOM 80 O GLN A 19 -8.276 12.917 -4.984 1.00 0.00 O ATOM 81 CB GLN A 19 -7.411 10.309 -4.311 1.00 0.00 C ATOM 82 CG GLN A 19 -6.810 8.908 -4.493 1.00 0.00 C ATOM 83 CD GLN A 19 -5.768 8.937 -5.618 1.00 0.00 C ATOM 84 OE1 GLN A 19 -5.370 9.982 -6.095 1.00 0.00 O ATOM 85 NE2 GLN A 19 -5.295 7.809 -6.065 1.00 0.00 N ATOM 0 H GLN A 19 -7.441 11.241 -7.116 1.00 0.00 H new ATOM 0 HA GLN A 19 -9.280 9.840 -5.255 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -6.628 11.064 -4.376 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -7.860 10.399 -3.322 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -6.347 8.576 -3.564 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -7.597 8.192 -4.731 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -5.623 6.927 -5.671 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.597 7.808 -6.809 1.00 0.00 H new ATOM 94 N ALA A 20 -10.257 12.148 -5.581 1.00 0.00 N ATOM 95 CA ALA A 20 -10.834 13.517 -5.490 1.00 0.00 C ATOM 96 C ALA A 20 -11.444 13.701 -4.105 1.00 0.00 C ATOM 97 O ALA A 20 -10.859 14.319 -3.238 1.00 0.00 O ATOM 98 CB ALA A 20 -11.911 13.673 -6.569 1.00 0.00 C ATOM 0 H ALA A 20 -10.898 11.412 -5.876 1.00 0.00 H new ATOM 0 HA ALA A 20 -10.061 14.270 -5.645 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -12.341 14.673 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.465 13.526 -7.552 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.694 12.932 -6.411 1.00 0.00 H new ATOM 104 N GLN A 21 -12.607 13.135 -3.926 1.00 0.00 N ATOM 105 CA GLN A 21 -13.286 13.241 -2.604 1.00 0.00 C ATOM 106 C GLN A 21 -13.949 11.904 -2.234 1.00 0.00 C ATOM 107 O GLN A 21 -13.525 11.253 -1.300 1.00 0.00 O ATOM 108 CB GLN A 21 -14.322 14.376 -2.665 1.00 0.00 C ATOM 109 CG GLN A 21 -13.637 15.698 -2.292 1.00 0.00 C ATOM 110 CD GLN A 21 -13.078 15.608 -0.869 1.00 0.00 C ATOM 111 OE1 GLN A 21 -11.827 15.274 -0.709 1.00 0.00 O flip ATOM 112 NE2 GLN A 21 -13.773 15.834 0.102 1.00 0.00 N flip ATOM 0 H GLN A 21 -13.114 12.606 -4.635 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.554 13.470 -1.830 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -14.749 14.442 -3.666 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.145 14.172 -1.980 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -12.833 15.913 -2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -14.350 16.520 -2.362 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -14.751 16.095 -0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -13.378 15.762 1.040 1.00 0.00 H new ATOM 121 N PRO A 22 -14.934 11.494 -2.998 1.00 0.00 N ATOM 122 CA PRO A 22 -15.566 10.162 -2.814 1.00 0.00 C ATOM 123 C PRO A 22 -14.601 8.994 -3.064 1.00 0.00 C ATOM 124 O PRO A 22 -15.010 7.932 -3.491 1.00 0.00 O ATOM 125 CB PRO A 22 -16.723 10.128 -3.822 1.00 0.00 C ATOM 126 CG PRO A 22 -16.570 11.373 -4.739 1.00 0.00 C ATOM 127 CD PRO A 22 -15.537 12.306 -4.084 1.00 0.00 C ATOM 0 HA PRO A 22 -15.894 10.038 -1.782 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -16.694 9.211 -4.410 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -17.683 10.146 -3.306 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -16.242 11.077 -5.735 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -17.526 11.882 -4.857 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -14.783 12.629 -4.802 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -16.009 13.206 -3.690 1.00 0.00 H new ATOM 135 N TRP A 23 -13.344 9.209 -2.785 1.00 0.00 N ATOM 136 CA TRP A 23 -12.339 8.127 -2.979 1.00 0.00 C ATOM 137 C TRP A 23 -11.914 7.639 -1.594 1.00 0.00 C ATOM 138 O TRP A 23 -11.450 6.528 -1.431 1.00 0.00 O ATOM 139 CB TRP A 23 -11.141 8.708 -3.726 1.00 0.00 C ATOM 140 CG TRP A 23 -10.329 7.570 -4.347 1.00 0.00 C ATOM 141 CD1 TRP A 23 -9.317 6.896 -3.735 1.00 0.00 C ATOM 142 CD2 TRP A 23 -10.473 7.107 -5.604 1.00 0.00 C ATOM 143 NE1 TRP A 23 -8.907 6.070 -4.680 1.00 0.00 N ATOM 144 CE2 TRP A 23 -9.543 6.117 -5.840 1.00 0.00 C ATOM 145 CE3 TRP A 23 -11.362 7.470 -6.598 1.00 0.00 C ATOM 146 CZ2 TRP A 23 -9.496 5.489 -7.070 1.00 0.00 C ATOM 147 CZ3 TRP A 23 -11.316 6.843 -7.829 1.00 0.00 C ATOM 148 CH2 TRP A 23 -10.383 5.852 -8.065 1.00 0.00 C ATOM 0 H TRP A 23 -12.970 10.089 -2.430 1.00 0.00 H new ATOM 0 HA TRP A 23 -12.748 7.297 -3.555 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -11.480 9.393 -4.503 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -10.517 9.284 -3.043 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -8.943 7.009 -2.728 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -8.134 5.424 -4.523 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.093 8.244 -6.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.766 4.715 -7.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -12.010 7.128 -8.606 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -10.347 5.361 -9.026 1.00 0.00 H new ATOM 159 N GLY A 24 -12.099 8.499 -0.627 1.00 0.00 N ATOM 160 CA GLY A 24 -11.748 8.137 0.773 1.00 0.00 C ATOM 161 C GLY A 24 -13.069 7.948 1.516 1.00 0.00 C ATOM 162 O GLY A 24 -13.897 8.836 1.542 1.00 0.00 O ATOM 0 H GLY A 24 -12.479 9.438 -0.749 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.153 7.224 0.800 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.150 8.921 1.238 1.00 0.00 H new ATOM 166 N VAL A 25 -13.239 6.797 2.105 1.00 0.00 N ATOM 167 CA VAL A 25 -14.524 6.533 2.817 1.00 0.00 C ATOM 168 C VAL A 25 -14.365 6.533 4.343 1.00 0.00 C ATOM 169 O VAL A 25 -13.272 6.438 4.864 1.00 0.00 O ATOM 170 CB VAL A 25 -15.042 5.168 2.350 1.00 0.00 C ATOM 171 CG1 VAL A 25 -15.586 5.315 0.926 1.00 0.00 C ATOM 172 CG2 VAL A 25 -13.867 4.186 2.311 1.00 0.00 C ATOM 0 H VAL A 25 -12.558 6.038 2.126 1.00 0.00 H new ATOM 0 HA VAL A 25 -15.226 7.332 2.579 1.00 0.00 H new ATOM 0 HB VAL A 25 -15.820 4.810 3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -15.959 4.352 0.578 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -16.398 6.042 0.920 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -14.789 5.656 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -14.220 3.209 1.980 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -13.110 4.552 1.618 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.434 4.097 3.307 1.00 0.00 H new ATOM 182 N PRO A 26 -15.485 6.642 5.011 1.00 0.00 N ATOM 183 CA PRO A 26 -15.584 6.367 6.466 1.00 0.00 C ATOM 184 C PRO A 26 -15.272 4.900 6.768 1.00 0.00 C ATOM 185 O PRO A 26 -15.215 4.492 7.911 1.00 0.00 O ATOM 186 CB PRO A 26 -17.034 6.705 6.838 1.00 0.00 C ATOM 187 CG PRO A 26 -17.806 6.934 5.508 1.00 0.00 C ATOM 188 CD PRO A 26 -16.762 7.055 4.381 1.00 0.00 C ATOM 0 HA PRO A 26 -14.868 6.955 7.040 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -17.484 5.893 7.410 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -17.073 7.596 7.464 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -18.487 6.106 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -18.412 7.838 5.567 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -17.014 6.413 3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -16.705 8.075 4.001 1.00 0.00 H new ATOM 196 N VAL A 27 -15.078 4.145 5.722 1.00 0.00 N ATOM 197 CA VAL A 27 -14.758 2.701 5.895 1.00 0.00 C ATOM 198 C VAL A 27 -13.270 2.514 5.691 1.00 0.00 C ATOM 199 O VAL A 27 -12.495 2.520 6.628 1.00 0.00 O ATOM 200 CB VAL A 27 -15.544 1.893 4.853 1.00 0.00 C ATOM 201 CG1 VAL A 27 -15.223 0.404 5.028 1.00 0.00 C ATOM 202 CG2 VAL A 27 -17.042 2.103 5.091 1.00 0.00 C ATOM 0 H VAL A 27 -15.127 4.466 4.755 1.00 0.00 H new ATOM 0 HA VAL A 27 -15.033 2.358 6.892 1.00 0.00 H new ATOM 0 HB VAL A 27 -15.272 2.219 3.849 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -15.778 -0.177 4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.154 0.243 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.509 0.086 6.031 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -17.611 1.533 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -17.302 1.764 6.094 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -17.281 3.162 4.993 1.00 0.00 H new ATOM 212 N GLU A 28 -12.909 2.374 4.452 1.00 0.00 N ATOM 213 CA GLU A 28 -11.480 2.183 4.124 1.00 0.00 C ATOM 214 C GLU A 28 -11.267 2.763 2.728 1.00 0.00 C ATOM 215 O GLU A 28 -11.209 3.963 2.546 1.00 0.00 O ATOM 216 CB GLU A 28 -11.213 0.665 4.172 1.00 0.00 C ATOM 217 CG GLU A 28 -11.308 0.225 5.644 1.00 0.00 C ATOM 218 CD GLU A 28 -10.948 -1.257 5.794 1.00 0.00 C ATOM 219 OE1 GLU A 28 -10.503 -1.822 4.811 1.00 0.00 O ATOM 220 OE2 GLU A 28 -11.140 -1.739 6.898 1.00 0.00 O ATOM 0 H GLU A 28 -13.543 2.384 3.653 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.798 2.679 4.814 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.941 0.128 3.564 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.228 0.436 3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.637 0.830 6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.318 0.398 6.015 1.00 0.00 H new ATOM 227 N VAL A 29 -11.117 1.873 1.791 1.00 0.00 N ATOM 228 CA VAL A 29 -10.958 2.283 0.361 1.00 0.00 C ATOM 229 C VAL A 29 -11.238 1.122 -0.576 1.00 0.00 C ATOM 230 O VAL A 29 -12.266 1.047 -1.218 1.00 0.00 O ATOM 231 CB VAL A 29 -9.560 2.818 0.024 1.00 0.00 C ATOM 232 CG1 VAL A 29 -9.383 2.731 -1.495 1.00 0.00 C ATOM 233 CG2 VAL A 29 -9.482 4.304 0.353 1.00 0.00 C ATOM 0 H VAL A 29 -11.097 0.866 1.952 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.681 3.087 0.222 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.816 2.248 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.396 3.105 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -9.479 1.693 -1.814 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.148 3.333 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.487 4.678 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -10.225 4.846 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.678 4.452 1.415 1.00 0.00 H new ATOM 243 N GLU A 30 -10.278 0.238 -0.615 1.00 0.00 N ATOM 244 CA GLU A 30 -10.409 -0.926 -1.531 1.00 0.00 C ATOM 245 C GLU A 30 -9.926 -2.227 -0.895 1.00 0.00 C ATOM 246 O GLU A 30 -8.773 -2.378 -0.542 1.00 0.00 O ATOM 247 CB GLU A 30 -9.585 -0.627 -2.785 1.00 0.00 C ATOM 248 CG GLU A 30 -9.694 -1.798 -3.761 1.00 0.00 C ATOM 249 CD GLU A 30 -9.078 -1.375 -5.097 1.00 0.00 C ATOM 250 OE1 GLU A 30 -7.871 -1.523 -5.207 1.00 0.00 O ATOM 251 OE2 GLU A 30 -9.848 -0.916 -5.925 1.00 0.00 O ATOM 0 H GLU A 30 -9.422 0.271 -0.061 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.463 -1.067 -1.769 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.942 0.288 -3.258 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.542 -0.461 -2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.176 -2.671 -3.364 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.738 -2.081 -3.898 1.00 0.00 H new ATOM 258 N SER A 31 -10.855 -3.129 -0.758 1.00 0.00 N ATOM 259 CA SER A 31 -10.525 -4.464 -0.182 1.00 0.00 C ATOM 260 C SER A 31 -10.347 -5.479 -1.317 1.00 0.00 C ATOM 261 O SER A 31 -11.306 -5.920 -1.918 1.00 0.00 O ATOM 262 CB SER A 31 -11.670 -4.924 0.721 1.00 0.00 C ATOM 263 OG SER A 31 -11.946 -3.785 1.521 1.00 0.00 O ATOM 0 H SER A 31 -11.832 -3.001 -1.020 1.00 0.00 H new ATOM 0 HA SER A 31 -9.604 -4.391 0.396 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.541 -5.226 0.140 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.380 -5.780 1.330 1.00 0.00 H new ATOM 0 HG SER A 31 -11.149 -3.548 2.039 1.00 0.00 H new ATOM 269 N LEU A 32 -9.115 -5.822 -1.583 1.00 0.00 N ATOM 270 CA LEU A 32 -8.850 -6.804 -2.679 1.00 0.00 C ATOM 271 C LEU A 32 -8.053 -8.034 -2.223 1.00 0.00 C ATOM 272 O LEU A 32 -7.195 -7.968 -1.364 1.00 0.00 O ATOM 273 CB LEU A 32 -8.066 -6.099 -3.791 1.00 0.00 C ATOM 274 CG LEU A 32 -9.023 -5.228 -4.619 1.00 0.00 C ATOM 275 CD1 LEU A 32 -8.201 -4.454 -5.651 1.00 0.00 C ATOM 276 CD2 LEU A 32 -10.012 -6.131 -5.367 1.00 0.00 C ATOM 0 H LEU A 32 -8.289 -5.471 -1.097 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.820 -7.162 -3.025 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.277 -5.483 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.581 -6.835 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.565 -4.545 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.864 -3.829 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.473 -3.825 -5.139 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.679 -5.156 -6.301 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.693 -5.516 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.464 -6.801 -6.029 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.583 -6.719 -4.648 1.00 0.00 H new ATOM 288 N LEU A 33 -8.376 -9.148 -2.826 1.00 0.00 N ATOM 289 CA LEU A 33 -7.662 -10.411 -2.496 1.00 0.00 C ATOM 290 C LEU A 33 -6.741 -10.801 -3.658 1.00 0.00 C ATOM 291 O LEU A 33 -7.104 -10.691 -4.813 1.00 0.00 O ATOM 292 CB LEU A 33 -8.701 -11.515 -2.257 1.00 0.00 C ATOM 293 CG LEU A 33 -9.498 -11.761 -3.546 1.00 0.00 C ATOM 294 CD1 LEU A 33 -8.945 -13.007 -4.247 1.00 0.00 C ATOM 295 CD2 LEU A 33 -10.965 -12.011 -3.181 1.00 0.00 C ATOM 0 H LEU A 33 -9.105 -9.235 -3.534 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.057 -10.275 -1.600 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -8.205 -12.433 -1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.375 -11.226 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.416 -10.896 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.506 -13.188 -5.164 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.894 -12.851 -4.490 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -9.041 -13.869 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.541 -12.187 -4.089 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -11.035 -12.884 -2.532 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.364 -11.140 -2.661 1.00 0.00 H new ATOM 307 N VAL A 34 -5.561 -11.236 -3.313 1.00 0.00 N ATOM 308 CA VAL A 34 -4.577 -11.644 -4.360 1.00 0.00 C ATOM 309 C VAL A 34 -4.126 -13.088 -4.130 1.00 0.00 C ATOM 310 O VAL A 34 -4.264 -13.618 -3.047 1.00 0.00 O ATOM 311 CB VAL A 34 -3.354 -10.716 -4.298 1.00 0.00 C ATOM 312 CG1 VAL A 34 -2.979 -10.312 -5.727 1.00 0.00 C ATOM 313 CG2 VAL A 34 -3.705 -9.456 -3.499 1.00 0.00 C ATOM 0 H VAL A 34 -5.233 -11.327 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.051 -11.571 -5.339 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.522 -11.230 -3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.112 -9.652 -5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.740 -11.204 -6.307 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.818 -9.792 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.836 -8.799 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.530 -8.935 -3.985 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.998 -9.737 -2.487 1.00 0.00 H new ATOM 323 N HIS A 35 -3.566 -13.687 -5.145 1.00 0.00 N ATOM 324 CA HIS A 35 -3.117 -15.100 -4.996 1.00 0.00 C ATOM 325 C HIS A 35 -1.595 -15.178 -4.833 1.00 0.00 C ATOM 326 O HIS A 35 -0.879 -14.277 -5.220 1.00 0.00 O ATOM 327 CB HIS A 35 -3.541 -15.857 -6.252 1.00 0.00 C ATOM 328 CG HIS A 35 -5.061 -16.035 -6.246 1.00 0.00 C ATOM 329 ND1 HIS A 35 -5.739 -16.653 -7.156 1.00 0.00 N ATOM 330 CD2 HIS A 35 -6.017 -15.613 -5.337 1.00 0.00 C ATOM 331 CE1 HIS A 35 -6.999 -16.626 -6.856 1.00 0.00 C ATOM 332 NE2 HIS A 35 -7.217 -15.990 -5.732 1.00 0.00 N ATOM 0 H HIS A 35 -3.401 -13.266 -6.059 1.00 0.00 H new ATOM 0 HA HIS A 35 -3.568 -15.538 -4.106 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.231 -15.310 -7.142 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.050 -16.829 -6.288 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.810 -15.056 -4.435 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -7.775 -17.073 -7.459 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -8.110 -15.824 -5.268 1.00 0.00 H new ATOM 340 N PRO A 36 -1.145 -16.267 -4.264 1.00 0.00 N ATOM 341 CA PRO A 36 0.297 -16.493 -4.014 1.00 0.00 C ATOM 342 C PRO A 36 1.130 -16.213 -5.268 1.00 0.00 C ATOM 343 O PRO A 36 0.997 -16.884 -6.272 1.00 0.00 O ATOM 344 CB PRO A 36 0.398 -17.964 -3.591 1.00 0.00 C ATOM 345 CG PRO A 36 -1.052 -18.458 -3.310 1.00 0.00 C ATOM 346 CD PRO A 36 -2.023 -17.383 -3.837 1.00 0.00 C ATOM 0 HA PRO A 36 0.688 -15.823 -3.249 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.863 -18.560 -4.376 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.020 -18.068 -2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.233 -19.413 -3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -1.201 -18.618 -2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.619 -17.760 -4.668 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.721 -17.065 -3.063 1.00 0.00 H new ATOM 354 N GLY A 37 1.969 -15.216 -5.177 1.00 0.00 N ATOM 355 CA GLY A 37 2.821 -14.863 -6.350 1.00 0.00 C ATOM 356 C GLY A 37 2.020 -14.063 -7.383 1.00 0.00 C ATOM 357 O GLY A 37 2.002 -14.408 -8.549 1.00 0.00 O ATOM 0 H GLY A 37 2.101 -14.635 -4.349 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.680 -14.280 -6.019 1.00 0.00 H new ATOM 0 HA3 GLY A 37 3.210 -15.772 -6.809 1.00 0.00 H new ATOM 361 N ASP A 38 1.374 -13.014 -6.943 1.00 0.00 N ATOM 362 CA ASP A 38 0.568 -12.205 -7.904 1.00 0.00 C ATOM 363 C ASP A 38 0.740 -10.690 -7.729 1.00 0.00 C ATOM 364 O ASP A 38 1.324 -10.208 -6.776 1.00 0.00 O ATOM 365 CB ASP A 38 -0.912 -12.558 -7.718 1.00 0.00 C ATOM 366 CG ASP A 38 -1.188 -13.934 -8.332 1.00 0.00 C ATOM 367 OD1 ASP A 38 -0.671 -14.892 -7.779 1.00 0.00 O ATOM 368 OD2 ASP A 38 -1.901 -13.947 -9.321 1.00 0.00 O ATOM 0 H ASP A 38 1.369 -12.687 -5.977 1.00 0.00 H new ATOM 0 HA ASP A 38 0.925 -12.449 -8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.166 -12.563 -6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.540 -11.803 -8.192 1.00 0.00 H new ATOM 373 N LEU A 39 0.194 -9.989 -8.687 1.00 0.00 N ATOM 374 CA LEU A 39 0.252 -8.500 -8.693 1.00 0.00 C ATOM 375 C LEU A 39 -0.953 -7.874 -7.994 1.00 0.00 C ATOM 376 O LEU A 39 -2.094 -8.115 -8.336 1.00 0.00 O ATOM 377 CB LEU A 39 0.298 -8.018 -10.148 1.00 0.00 C ATOM 378 CG LEU A 39 1.739 -8.099 -10.670 1.00 0.00 C ATOM 379 CD1 LEU A 39 2.197 -9.562 -10.686 1.00 0.00 C ATOM 380 CD2 LEU A 39 1.775 -7.556 -12.102 1.00 0.00 C ATOM 0 H LEU A 39 -0.300 -10.396 -9.481 1.00 0.00 H new ATOM 0 HA LEU A 39 1.145 -8.192 -8.148 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.359 -8.631 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.067 -6.993 -10.214 1.00 0.00 H new ATOM 0 HG LEU A 39 2.396 -7.516 -10.025 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.220 -9.619 -11.057 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.154 -9.968 -9.675 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.542 -10.141 -11.337 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.794 -7.608 -12.485 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.119 -8.154 -12.734 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.438 -6.519 -12.107 1.00 0.00 H new ATOM 392 N LEU A 40 -0.631 -7.076 -7.015 1.00 0.00 N ATOM 393 CA LEU A 40 -1.662 -6.367 -6.210 1.00 0.00 C ATOM 394 C LEU A 40 -1.267 -4.887 -6.078 1.00 0.00 C ATOM 395 O LEU A 40 -0.122 -4.575 -5.827 1.00 0.00 O ATOM 396 CB LEU A 40 -1.691 -7.060 -4.843 1.00 0.00 C ATOM 397 CG LEU A 40 -0.764 -6.367 -3.840 1.00 0.00 C ATOM 398 CD1 LEU A 40 -1.493 -5.175 -3.204 1.00 0.00 C ATOM 399 CD2 LEU A 40 -0.389 -7.384 -2.754 1.00 0.00 C ATOM 0 H LEU A 40 0.330 -6.881 -6.733 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.648 -6.403 -6.673 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.710 -7.061 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.392 -8.102 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 40 0.133 -6.003 -4.341 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.832 -4.683 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.779 -4.467 -3.981 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.386 -5.528 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.272 -6.913 -2.027 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.293 -7.730 -2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.120 -8.233 -3.211 1.00 0.00 H new ATOM 411 N GLN A 41 -2.200 -3.987 -6.240 1.00 0.00 N ATOM 412 CA GLN A 41 -1.809 -2.549 -6.120 1.00 0.00 C ATOM 413 C GLN A 41 -2.832 -1.672 -5.388 1.00 0.00 C ATOM 414 O GLN A 41 -4.017 -1.936 -5.385 1.00 0.00 O ATOM 415 CB GLN A 41 -1.576 -1.982 -7.530 1.00 0.00 C ATOM 416 CG GLN A 41 -2.509 -2.669 -8.535 1.00 0.00 C ATOM 417 CD GLN A 41 -3.963 -2.456 -8.111 1.00 0.00 C ATOM 418 OE1 GLN A 41 -4.678 -3.494 -7.777 1.00 0.00 O flip ATOM 419 NE2 GLN A 41 -4.458 -1.346 -8.077 1.00 0.00 N flip ATOM 0 H GLN A 41 -3.182 -4.172 -6.443 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.903 -2.524 -5.514 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -1.755 -0.907 -7.532 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.537 -2.133 -7.824 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.347 -2.263 -9.534 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.286 -3.735 -8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.902 -0.531 -8.337 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.429 -1.229 -7.788 1.00 0.00 H new ATOM 428 N LEU A 42 -2.308 -0.643 -4.775 1.00 0.00 N ATOM 429 CA LEU A 42 -3.162 0.329 -4.032 1.00 0.00 C ATOM 430 C LEU A 42 -2.759 1.728 -4.488 1.00 0.00 C ATOM 431 O LEU A 42 -1.597 2.072 -4.423 1.00 0.00 O ATOM 432 CB LEU A 42 -2.911 0.214 -2.519 1.00 0.00 C ATOM 433 CG LEU A 42 -1.631 -0.583 -2.232 1.00 0.00 C ATOM 434 CD1 LEU A 42 -0.960 0.006 -0.989 1.00 0.00 C ATOM 435 CD2 LEU A 42 -2.011 -2.031 -1.936 1.00 0.00 C ATOM 0 H LEU A 42 -1.310 -0.433 -4.758 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.215 0.128 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.829 1.210 -2.084 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.761 -0.273 -2.042 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.958 -0.536 -3.088 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.048 -0.549 -0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.714 1.052 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.640 -0.065 -0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.110 -2.609 -1.730 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.670 -2.064 -1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.525 -2.456 -2.798 1.00 0.00 H new ATOM 447 N ARG A 43 -3.722 2.493 -4.925 1.00 0.00 N ATOM 448 CA ARG A 43 -3.415 3.871 -5.406 1.00 0.00 C ATOM 449 C ARG A 43 -3.823 4.924 -4.389 1.00 0.00 C ATOM 450 O ARG A 43 -4.968 5.017 -3.996 1.00 0.00 O ATOM 451 CB ARG A 43 -4.169 4.098 -6.716 1.00 0.00 C ATOM 452 CG ARG A 43 -3.742 5.447 -7.296 1.00 0.00 C ATOM 453 CD ARG A 43 -2.380 5.301 -7.968 1.00 0.00 C ATOM 454 NE ARG A 43 -1.467 6.287 -7.328 1.00 0.00 N ATOM 455 CZ ARG A 43 -1.226 7.422 -7.924 1.00 0.00 C ATOM 456 NH1 ARG A 43 -1.758 8.508 -7.432 1.00 0.00 N ATOM 457 NH2 ARG A 43 -0.468 7.435 -8.985 1.00 0.00 N ATOM 0 H ARG A 43 -4.705 2.225 -4.970 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.339 3.963 -5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.951 3.297 -7.422 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.245 4.085 -6.541 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.481 5.795 -8.018 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -3.691 6.196 -6.505 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.998 4.287 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.457 5.487 -9.039 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.033 6.077 -6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.346 8.456 -6.600 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.585 9.408 -7.879 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.072 6.565 -9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.272 8.316 -9.461 1.00 0.00 H new ATOM 471 N CYS A 44 -2.858 5.720 -4.017 1.00 0.00 N ATOM 472 CA CYS A 44 -3.127 6.787 -3.022 1.00 0.00 C ATOM 473 C CYS A 44 -3.438 8.119 -3.692 1.00 0.00 C ATOM 474 O CYS A 44 -3.210 8.325 -4.866 1.00 0.00 O ATOM 475 CB CYS A 44 -1.902 6.979 -2.130 1.00 0.00 C ATOM 476 SG CYS A 44 -2.185 7.822 -0.556 1.00 0.00 S ATOM 0 H CYS A 44 -1.898 5.675 -4.360 1.00 0.00 H new ATOM 0 HA CYS A 44 -3.992 6.475 -2.437 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.473 5.999 -1.921 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -1.155 7.541 -2.690 1.00 0.00 H new ATOM 481 N ARG A 45 -3.857 9.006 -2.838 1.00 0.00 N ATOM 482 CA ARG A 45 -4.263 10.381 -3.240 1.00 0.00 C ATOM 483 C ARG A 45 -3.087 11.349 -3.237 1.00 0.00 C ATOM 484 O ARG A 45 -2.288 11.341 -2.322 1.00 0.00 O ATOM 485 CB ARG A 45 -5.291 10.841 -2.206 1.00 0.00 C ATOM 486 CG ARG A 45 -5.487 12.361 -2.255 1.00 0.00 C ATOM 487 CD ARG A 45 -6.532 12.742 -1.193 1.00 0.00 C ATOM 488 NE ARG A 45 -6.019 12.343 0.151 1.00 0.00 N ATOM 489 CZ ARG A 45 -6.052 11.087 0.505 1.00 0.00 C ATOM 490 NH1 ARG A 45 -7.015 10.313 0.088 1.00 0.00 N ATOM 491 NH2 ARG A 45 -5.096 10.598 1.244 1.00 0.00 N ATOM 0 H ARG A 45 -3.938 8.827 -1.837 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.661 10.367 -4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.243 10.343 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.964 10.546 -1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -4.544 12.873 -2.062 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.821 12.670 -3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -6.724 13.815 -1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.479 12.243 -1.399 1.00 0.00 H new ATOM 0 HE ARG A 45 -5.645 13.047 0.788 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -7.746 10.689 -0.517 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.038 9.332 0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.326 11.196 1.543 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -5.118 9.617 1.523 1.00 0.00 H new ATOM 505 N LEU A 46 -2.986 12.160 -4.258 1.00 0.00 N ATOM 506 CA LEU A 46 -1.865 13.143 -4.237 1.00 0.00 C ATOM 507 C LEU A 46 -2.498 14.524 -4.066 1.00 0.00 C ATOM 508 O LEU A 46 -3.586 14.749 -4.548 1.00 0.00 O ATOM 509 CB LEU A 46 -1.105 13.065 -5.565 1.00 0.00 C ATOM 510 CG LEU A 46 -0.292 11.768 -5.624 1.00 0.00 C ATOM 511 CD1 LEU A 46 0.367 11.682 -7.002 1.00 0.00 C ATOM 512 CD2 LEU A 46 0.811 11.803 -4.560 1.00 0.00 C ATOM 0 H LEU A 46 -3.601 12.187 -5.071 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.162 12.940 -3.429 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.806 13.103 -6.398 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.443 13.925 -5.666 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.944 10.912 -5.447 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.953 10.765 -7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.403 11.678 -7.774 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.021 12.542 -7.147 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.388 10.879 -4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.469 12.651 -4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.361 11.903 -3.572 1.00 0.00 H new ATOM 524 N ARG A 47 -1.856 15.423 -3.374 1.00 0.00 N ATOM 525 CA ARG A 47 -2.494 16.765 -3.229 1.00 0.00 C ATOM 526 C ARG A 47 -1.454 17.876 -3.168 1.00 0.00 C ATOM 527 O ARG A 47 -0.294 17.636 -2.896 1.00 0.00 O ATOM 528 CB ARG A 47 -3.326 16.796 -1.936 1.00 0.00 C ATOM 529 CG ARG A 47 -4.708 16.182 -2.199 1.00 0.00 C ATOM 530 CD ARG A 47 -5.712 16.813 -1.226 1.00 0.00 C ATOM 531 NE ARG A 47 -7.061 16.236 -1.499 1.00 0.00 N ATOM 532 CZ ARG A 47 -7.882 16.022 -0.501 1.00 0.00 C ATOM 533 NH1 ARG A 47 -7.509 16.365 0.703 1.00 0.00 N ATOM 534 NH2 ARG A 47 -9.053 15.480 -0.711 1.00 0.00 N ATOM 0 H ARG A 47 -0.952 15.298 -2.918 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.127 16.931 -4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.814 16.242 -1.149 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.434 17.822 -1.585 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.014 16.363 -3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.675 15.101 -2.062 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.417 16.615 -0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.731 17.896 -1.350 1.00 0.00 H new ATOM 0 HE ARG A 47 -7.341 16.010 -2.454 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.594 16.791 0.852 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.133 16.207 1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.333 15.221 -1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -9.687 15.316 0.071 1.00 0.00 H new ATOM 548 N ASP A 48 -1.900 19.073 -3.440 1.00 0.00 N ATOM 549 CA ASP A 48 -0.962 20.230 -3.372 1.00 0.00 C ATOM 550 C ASP A 48 -0.629 20.512 -1.900 1.00 0.00 C ATOM 551 O ASP A 48 -0.283 21.618 -1.532 1.00 0.00 O ATOM 552 CB ASP A 48 -1.645 21.450 -4.001 1.00 0.00 C ATOM 553 CG ASP A 48 -0.580 22.368 -4.611 1.00 0.00 C ATOM 554 OD1 ASP A 48 0.167 22.930 -3.827 1.00 0.00 O ATOM 555 OD2 ASP A 48 -0.576 22.452 -5.829 1.00 0.00 O ATOM 0 H ASP A 48 -2.860 19.298 -3.703 1.00 0.00 H new ATOM 0 HA ASP A 48 -0.041 20.011 -3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.350 21.131 -4.769 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.218 21.989 -3.247 1.00 0.00 H new ATOM 560 N ASP A 49 -0.746 19.489 -1.097 1.00 0.00 N ATOM 561 CA ASP A 49 -0.447 19.619 0.355 1.00 0.00 C ATOM 562 C ASP A 49 0.475 18.452 0.725 1.00 0.00 C ATOM 563 O ASP A 49 1.641 18.649 1.005 1.00 0.00 O ATOM 564 CB ASP A 49 -1.769 19.540 1.137 1.00 0.00 C ATOM 565 CG ASP A 49 -1.560 20.074 2.560 1.00 0.00 C ATOM 566 OD1 ASP A 49 -0.431 19.982 3.008 1.00 0.00 O ATOM 567 OD2 ASP A 49 -2.547 20.526 3.116 1.00 0.00 O ATOM 0 H ASP A 49 -1.040 18.558 -1.391 1.00 0.00 H new ATOM 0 HA ASP A 49 0.036 20.567 0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -2.538 20.122 0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.120 18.509 1.173 1.00 0.00 H new ATOM 572 N VAL A 50 -0.074 17.265 0.705 1.00 0.00 N ATOM 573 CA VAL A 50 0.723 16.052 1.019 1.00 0.00 C ATOM 574 C VAL A 50 1.983 16.018 0.155 1.00 0.00 C ATOM 575 O VAL A 50 1.985 16.428 -0.989 1.00 0.00 O ATOM 576 CB VAL A 50 -0.149 14.824 0.746 1.00 0.00 C ATOM 577 CG1 VAL A 50 -1.446 14.971 1.553 1.00 0.00 C ATOM 578 CG2 VAL A 50 -0.495 14.761 -0.744 1.00 0.00 C ATOM 0 H VAL A 50 -1.053 17.087 0.481 1.00 0.00 H new ATOM 0 HA VAL A 50 1.031 16.060 2.064 1.00 0.00 H new ATOM 0 HB VAL A 50 0.382 13.916 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.085 14.106 1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.209 15.034 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.967 15.877 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.116 13.886 -0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.038 15.662 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.423 14.690 -1.328 1.00 0.00 H new ATOM 588 N GLN A 51 3.024 15.522 0.755 1.00 0.00 N ATOM 589 CA GLN A 51 4.333 15.426 0.055 1.00 0.00 C ATOM 590 C GLN A 51 4.877 14.011 0.202 1.00 0.00 C ATOM 591 O GLN A 51 5.633 13.543 -0.626 1.00 0.00 O ATOM 592 CB GLN A 51 5.302 16.407 0.710 1.00 0.00 C ATOM 593 CG GLN A 51 4.657 17.791 0.710 1.00 0.00 C ATOM 594 CD GLN A 51 5.512 18.733 1.558 1.00 0.00 C ATOM 595 OE1 GLN A 51 6.667 18.972 1.269 1.00 0.00 O ATOM 596 NE2 GLN A 51 4.985 19.283 2.619 1.00 0.00 N ATOM 0 H GLN A 51 3.025 15.174 1.714 1.00 0.00 H new ATOM 0 HA GLN A 51 4.214 15.662 -1.003 1.00 0.00 H new ATOM 0 HB2 GLN A 51 5.528 16.094 1.729 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.246 16.428 0.166 1.00 0.00 H new ATOM 0 HG2 GLN A 51 4.576 18.169 -0.309 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.645 17.736 1.111 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.015 19.086 2.867 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.543 19.909 3.199 1.00 0.00 H new ATOM 605 N SER A 52 4.474 13.360 1.260 1.00 0.00 N ATOM 606 CA SER A 52 4.965 11.978 1.488 1.00 0.00 C ATOM 607 C SER A 52 3.771 11.043 1.595 1.00 0.00 C ATOM 608 O SER A 52 2.795 11.359 2.245 1.00 0.00 O ATOM 609 CB SER A 52 5.753 11.950 2.796 1.00 0.00 C ATOM 610 OG SER A 52 6.784 12.904 2.587 1.00 0.00 O ATOM 0 H SER A 52 3.834 13.723 1.966 1.00 0.00 H new ATOM 0 HA SER A 52 5.604 11.661 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.126 12.217 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.159 10.959 2.998 1.00 0.00 H new ATOM 0 HG SER A 52 7.348 12.957 3.387 1.00 0.00 H new ATOM 616 N ILE A 53 3.871 9.933 0.922 1.00 0.00 N ATOM 617 CA ILE A 53 2.772 8.938 0.968 1.00 0.00 C ATOM 618 C ILE A 53 3.297 7.714 1.700 1.00 0.00 C ATOM 619 O ILE A 53 4.204 7.041 1.251 1.00 0.00 O ATOM 620 CB ILE A 53 2.386 8.550 -0.453 1.00 0.00 C ATOM 621 CG1 ILE A 53 1.437 9.603 -1.053 1.00 0.00 C ATOM 622 CG2 ILE A 53 1.653 7.203 -0.431 1.00 0.00 C ATOM 623 CD1 ILE A 53 2.081 10.993 -0.994 1.00 0.00 C ATOM 0 H ILE A 53 4.669 9.673 0.342 1.00 0.00 H new ATOM 0 HA ILE A 53 1.898 9.347 1.475 1.00 0.00 H new ATOM 0 HB ILE A 53 3.293 8.485 -1.054 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.204 9.346 -2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.495 9.608 -0.505 1.00 0.00 H new ATOM 0 HG21 ILE A 53 1.376 6.923 -1.447 1.00 0.00 H new ATOM 0 HG22 ILE A 53 2.307 6.440 -0.010 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.754 7.288 0.180 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.399 11.728 -1.422 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.291 11.253 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.011 10.987 -1.562 1.00 0.00 H new ATOM 635 N ASN A 54 2.700 7.470 2.827 1.00 0.00 N ATOM 636 CA ASN A 54 3.111 6.301 3.643 1.00 0.00 C ATOM 637 C ASN A 54 2.064 5.218 3.437 1.00 0.00 C ATOM 638 O ASN A 54 0.887 5.479 3.570 1.00 0.00 O ATOM 639 CB ASN A 54 3.111 6.691 5.116 1.00 0.00 C ATOM 640 CG ASN A 54 2.903 8.193 5.258 1.00 0.00 C ATOM 641 OD1 ASN A 54 3.605 9.005 4.689 1.00 0.00 O ATOM 642 ND2 ASN A 54 1.922 8.583 6.019 1.00 0.00 N ATOM 0 H ASN A 54 1.944 8.030 3.220 1.00 0.00 H new ATOM 0 HA ASN A 54 4.105 5.960 3.354 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.321 6.155 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.055 6.401 5.577 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.737 9.578 6.142 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.338 7.893 6.492 1.00 0.00 H new ATOM 649 N TRP A 55 2.486 4.035 3.101 1.00 0.00 N ATOM 650 CA TRP A 55 1.479 2.963 2.916 1.00 0.00 C ATOM 651 C TRP A 55 1.515 2.119 4.187 1.00 0.00 C ATOM 652 O TRP A 55 2.386 1.289 4.349 1.00 0.00 O ATOM 653 CB TRP A 55 1.880 2.145 1.696 1.00 0.00 C ATOM 654 CG TRP A 55 1.674 3.007 0.446 1.00 0.00 C ATOM 655 CD1 TRP A 55 2.640 3.690 -0.234 1.00 0.00 C ATOM 656 CD2 TRP A 55 0.505 3.132 -0.208 1.00 0.00 C ATOM 657 NE1 TRP A 55 1.981 4.169 -1.273 1.00 0.00 N ATOM 658 CE2 TRP A 55 0.687 3.891 -1.343 1.00 0.00 C ATOM 659 CE3 TRP A 55 -0.746 2.635 0.100 1.00 0.00 C ATOM 660 CZ2 TRP A 55 -0.379 4.147 -2.177 1.00 0.00 C ATOM 661 CZ3 TRP A 55 -1.815 2.891 -0.736 1.00 0.00 C ATOM 662 CH2 TRP A 55 -1.629 3.646 -1.877 1.00 0.00 C ATOM 0 H TRP A 55 3.459 3.769 2.950 1.00 0.00 H new ATOM 0 HA TRP A 55 0.472 3.346 2.753 1.00 0.00 H new ATOM 0 HB2 TRP A 55 2.922 1.833 1.774 1.00 0.00 H new ATOM 0 HB3 TRP A 55 1.279 1.237 1.634 1.00 0.00 H new ATOM 0 HD1 TRP A 55 3.684 3.809 0.016 1.00 0.00 H new ATOM 0 HE1 TRP A 55 2.446 4.727 -1.989 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.888 2.046 0.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.236 4.741 -3.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.794 2.502 -0.498 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.462 3.844 -2.535 1.00 0.00 H new ATOM 673 N LEU A 56 0.538 2.288 5.036 1.00 0.00 N ATOM 674 CA LEU A 56 0.579 1.523 6.308 1.00 0.00 C ATOM 675 C LEU A 56 0.112 0.099 6.016 1.00 0.00 C ATOM 676 O LEU A 56 -1.055 -0.116 5.755 1.00 0.00 O ATOM 677 CB LEU A 56 -0.388 2.110 7.349 1.00 0.00 C ATOM 678 CG LEU A 56 -0.625 3.608 7.150 1.00 0.00 C ATOM 679 CD1 LEU A 56 -1.632 4.042 8.220 1.00 0.00 C ATOM 680 CD2 LEU A 56 0.680 4.380 7.359 1.00 0.00 C ATOM 0 H LEU A 56 -0.264 2.905 4.908 1.00 0.00 H new ATOM 0 HA LEU A 56 1.596 1.561 6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.341 1.584 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.011 1.938 8.349 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.991 3.808 6.143 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.834 5.108 8.118 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.560 3.483 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.220 3.843 9.209 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.500 5.445 7.215 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.047 4.208 8.371 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.424 4.038 6.640 1.00 0.00 H new ATOM 692 N ARG A 57 1.025 -0.830 6.074 1.00 0.00 N ATOM 693 CA ARG A 57 0.651 -2.244 5.789 1.00 0.00 C ATOM 694 C ARG A 57 -0.008 -2.845 7.023 1.00 0.00 C ATOM 695 O ARG A 57 0.453 -2.636 8.125 1.00 0.00 O ATOM 696 CB ARG A 57 1.928 -3.025 5.465 1.00 0.00 C ATOM 697 CG ARG A 57 1.684 -4.536 5.646 1.00 0.00 C ATOM 698 CD ARG A 57 2.921 -5.171 6.295 1.00 0.00 C ATOM 699 NE ARG A 57 3.292 -4.366 7.495 1.00 0.00 N ATOM 700 CZ ARG A 57 3.202 -4.897 8.684 1.00 0.00 C ATOM 701 NH1 ARG A 57 2.302 -4.438 9.510 1.00 0.00 N ATOM 702 NH2 ARG A 57 4.019 -5.861 9.009 1.00 0.00 N ATOM 0 H ARG A 57 2.006 -0.674 6.304 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.042 -2.291 4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 57 2.240 -2.819 4.441 1.00 0.00 H new ATOM 0 HB3 ARG A 57 2.739 -2.699 6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.805 -4.703 6.269 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.484 -5.003 4.681 1.00 0.00 H new ATOM 0 HD2 ARG A 57 2.712 -6.202 6.580 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.749 -5.198 5.586 1.00 0.00 H new ATOM 0 HE ARG A 57 3.615 -3.404 7.387 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.685 -3.678 9.222 1.00 0.00 H new ATOM 0 HH12 ARG A 57 2.215 -4.839 10.444 1.00 0.00 H new ATOM 0 HH21 ARG A 57 4.714 -6.188 8.338 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.963 -6.287 9.934 1.00 0.00 H new ATOM 716 N ASP A 58 -1.085 -3.549 6.807 1.00 0.00 N ATOM 717 CA ASP A 58 -1.800 -4.195 7.945 1.00 0.00 C ATOM 718 C ASP A 58 -2.440 -3.120 8.818 1.00 0.00 C ATOM 719 O ASP A 58 -3.643 -2.958 8.811 1.00 0.00 O ATOM 720 CB ASP A 58 -0.802 -5.020 8.769 1.00 0.00 C ATOM 721 CG ASP A 58 -1.569 -5.807 9.834 1.00 0.00 C ATOM 722 OD1 ASP A 58 -2.314 -6.684 9.427 1.00 0.00 O ATOM 723 OD2 ASP A 58 -1.366 -5.485 10.994 1.00 0.00 O ATOM 0 H ASP A 58 -1.502 -3.705 5.889 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.580 -4.854 7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.251 -5.701 8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.069 -4.365 9.240 1.00 0.00 H new ATOM 728 N GLY A 59 -1.609 -2.430 9.553 1.00 0.00 N ATOM 729 CA GLY A 59 -2.106 -1.336 10.433 1.00 0.00 C ATOM 730 C GLY A 59 -0.955 -0.408 10.850 1.00 0.00 C ATOM 731 O GLY A 59 -1.092 0.361 11.781 1.00 0.00 O ATOM 0 H GLY A 59 -0.600 -2.580 9.581 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -2.871 -0.762 9.911 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.576 -1.761 11.320 1.00 0.00 H new ATOM 735 N VAL A 60 0.154 -0.495 10.162 1.00 0.00 N ATOM 736 CA VAL A 60 1.310 0.377 10.523 1.00 0.00 C ATOM 737 C VAL A 60 2.061 0.858 9.274 1.00 0.00 C ATOM 738 O VAL A 60 2.169 0.152 8.292 1.00 0.00 O ATOM 739 CB VAL A 60 2.256 -0.427 11.426 1.00 0.00 C ATOM 740 CG1 VAL A 60 2.741 -1.669 10.673 1.00 0.00 C ATOM 741 CG2 VAL A 60 3.467 0.441 11.789 1.00 0.00 C ATOM 0 H VAL A 60 0.308 -1.125 9.375 1.00 0.00 H new ATOM 0 HA VAL A 60 0.942 1.261 11.043 1.00 0.00 H new ATOM 0 HB VAL A 60 1.729 -0.726 12.332 1.00 0.00 H new ATOM 0 HG11 VAL A 60 3.413 -2.242 11.312 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.885 -2.286 10.400 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.270 -1.364 9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.142 -0.126 12.430 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.991 0.733 10.879 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.130 1.334 12.316 1.00 0.00 H new ATOM 751 N GLN A 61 2.567 2.059 9.366 1.00 0.00 N ATOM 752 CA GLN A 61 3.321 2.669 8.230 1.00 0.00 C ATOM 753 C GLN A 61 4.244 1.678 7.518 1.00 0.00 C ATOM 754 O GLN A 61 5.063 1.025 8.134 1.00 0.00 O ATOM 755 CB GLN A 61 4.147 3.833 8.791 1.00 0.00 C ATOM 756 CG GLN A 61 4.851 4.558 7.642 1.00 0.00 C ATOM 757 CD GLN A 61 6.252 3.966 7.477 1.00 0.00 C ATOM 758 OE1 GLN A 61 6.474 3.151 6.484 1.00 0.00 O flip ATOM 759 NE2 GLN A 61 7.149 4.230 8.252 1.00 0.00 N flip ATOM 0 H GLN A 61 2.489 2.652 10.192 1.00 0.00 H new ATOM 0 HA GLN A 61 2.601 3.005 7.483 1.00 0.00 H new ATOM 0 HB2 GLN A 61 3.500 4.525 9.330 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.882 3.461 9.505 1.00 0.00 H new ATOM 0 HG2 GLN A 61 4.282 4.446 6.719 1.00 0.00 H new ATOM 0 HG3 GLN A 61 4.914 5.626 7.850 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.980 4.867 9.030 1.00 0.00 H new ATOM 0 HE22 GLN A 61 8.072 3.815 8.125 1.00 0.00 H new ATOM 768 N LEU A 62 4.078 1.592 6.223 1.00 0.00 N ATOM 769 CA LEU A 62 4.939 0.666 5.435 1.00 0.00 C ATOM 770 C LEU A 62 5.256 1.194 4.032 1.00 0.00 C ATOM 771 O LEU A 62 4.481 1.882 3.393 1.00 0.00 O ATOM 772 CB LEU A 62 4.255 -0.690 5.277 1.00 0.00 C ATOM 773 CG LEU A 62 5.348 -1.705 4.898 1.00 0.00 C ATOM 774 CD1 LEU A 62 5.987 -2.252 6.180 1.00 0.00 C ATOM 775 CD2 LEU A 62 4.738 -2.864 4.108 1.00 0.00 C ATOM 0 H LEU A 62 3.390 2.118 5.683 1.00 0.00 H new ATOM 0 HA LEU A 62 5.871 0.577 5.993 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.761 -0.983 6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.486 -0.646 4.506 1.00 0.00 H new ATOM 0 HG LEU A 62 6.100 -1.211 4.283 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.763 -2.972 5.921 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.428 -1.431 6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.225 -2.742 6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.520 -3.576 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.983 -3.362 4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.275 -2.481 3.199 1.00 0.00 H new ATOM 787 N VAL A 63 6.474 0.925 3.664 1.00 0.00 N ATOM 788 CA VAL A 63 6.991 1.309 2.320 1.00 0.00 C ATOM 789 C VAL A 63 8.262 0.482 2.064 1.00 0.00 C ATOM 790 O VAL A 63 9.337 0.858 2.486 1.00 0.00 O ATOM 791 CB VAL A 63 7.204 2.835 2.340 1.00 0.00 C ATOM 792 CG1 VAL A 63 7.982 3.233 3.598 1.00 0.00 C ATOM 793 CG2 VAL A 63 7.995 3.291 1.126 1.00 0.00 C ATOM 0 H VAL A 63 7.152 0.442 4.253 1.00 0.00 H new ATOM 0 HA VAL A 63 6.311 1.094 1.496 1.00 0.00 H new ATOM 0 HB VAL A 63 6.223 3.309 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.130 4.313 3.608 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.419 2.936 4.483 1.00 0.00 H new ATOM 0 HG13 VAL A 63 8.951 2.734 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.131 4.372 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.969 2.803 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 63 7.453 3.026 0.218 1.00 0.00 H new ATOM 803 N GLU A 64 8.123 -0.627 1.382 1.00 0.00 N ATOM 804 CA GLU A 64 9.317 -1.494 1.151 1.00 0.00 C ATOM 805 C GLU A 64 9.995 -1.286 -0.206 1.00 0.00 C ATOM 806 O GLU A 64 10.202 -0.175 -0.645 1.00 0.00 O ATOM 807 CB GLU A 64 8.864 -2.958 1.308 1.00 0.00 C ATOM 808 CG GLU A 64 9.906 -3.728 2.138 1.00 0.00 C ATOM 809 CD GLU A 64 10.622 -4.749 1.249 1.00 0.00 C ATOM 810 OE1 GLU A 64 11.455 -4.302 0.478 1.00 0.00 O ATOM 811 OE2 GLU A 64 10.293 -5.916 1.390 1.00 0.00 O ATOM 0 H GLU A 64 7.248 -0.965 0.981 1.00 0.00 H new ATOM 0 HA GLU A 64 10.075 -1.221 1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.891 -2.999 1.797 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.748 -3.422 0.328 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.629 -3.034 2.566 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.419 -4.235 2.971 1.00 0.00 H new ATOM 818 N SER A 65 10.366 -2.378 -0.813 1.00 0.00 N ATOM 819 CA SER A 65 11.056 -2.314 -2.133 1.00 0.00 C ATOM 820 C SER A 65 11.038 -3.691 -2.803 1.00 0.00 C ATOM 821 O SER A 65 10.295 -4.566 -2.405 1.00 0.00 O ATOM 822 CB SER A 65 12.508 -1.866 -1.910 1.00 0.00 C ATOM 823 OG SER A 65 13.161 -3.015 -1.387 1.00 0.00 O ATOM 0 H SER A 65 10.220 -3.320 -0.449 1.00 0.00 H new ATOM 0 HA SER A 65 10.542 -1.604 -2.781 1.00 0.00 H new ATOM 0 HB2 SER A 65 12.969 -1.538 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 65 12.562 -1.028 -1.215 1.00 0.00 H new ATOM 0 HG SER A 65 12.561 -3.478 -0.765 1.00 0.00 H new ATOM 829 N ASN A 66 11.847 -3.849 -3.816 1.00 0.00 N ATOM 830 CA ASN A 66 11.903 -5.157 -4.537 1.00 0.00 C ATOM 831 C ASN A 66 10.498 -5.735 -4.770 1.00 0.00 C ATOM 832 O ASN A 66 9.732 -5.198 -5.545 1.00 0.00 O ATOM 833 CB ASN A 66 12.732 -6.137 -3.697 1.00 0.00 C ATOM 834 CG ASN A 66 14.153 -5.589 -3.525 1.00 0.00 C ATOM 835 OD1 ASN A 66 14.479 -4.466 -4.105 1.00 0.00 O flip ATOM 836 ND2 ASN A 66 14.980 -6.181 -2.860 1.00 0.00 N flip ATOM 0 H ASN A 66 12.473 -3.129 -4.177 1.00 0.00 H new ATOM 0 HA ASN A 66 12.360 -5.002 -5.514 1.00 0.00 H new ATOM 0 HB2 ASN A 66 12.266 -6.281 -2.722 1.00 0.00 H new ATOM 0 HB3 ASN A 66 12.763 -7.112 -4.183 1.00 0.00 H new ATOM 0 HD21 ASN A 66 14.734 -7.059 -2.403 1.00 0.00 H new ATOM 0 HD22 ASN A 66 15.921 -5.800 -2.758 1.00 0.00 H new ATOM 843 N ARG A 67 10.201 -6.819 -4.104 1.00 0.00 N ATOM 844 CA ARG A 67 8.858 -7.456 -4.260 1.00 0.00 C ATOM 845 C ARG A 67 7.756 -6.394 -4.323 1.00 0.00 C ATOM 846 O ARG A 67 6.777 -6.538 -5.031 1.00 0.00 O ATOM 847 CB ARG A 67 8.610 -8.380 -3.062 1.00 0.00 C ATOM 848 CG ARG A 67 9.279 -9.737 -3.323 1.00 0.00 C ATOM 849 CD ARG A 67 10.791 -9.538 -3.463 1.00 0.00 C ATOM 850 NE ARG A 67 11.431 -10.883 -3.535 1.00 0.00 N ATOM 851 CZ ARG A 67 12.313 -11.221 -2.635 1.00 0.00 C ATOM 852 NH1 ARG A 67 13.582 -11.107 -2.920 1.00 0.00 N ATOM 853 NH2 ARG A 67 11.898 -11.662 -1.479 1.00 0.00 N ATOM 0 H ARG A 67 10.831 -7.293 -3.457 1.00 0.00 H new ATOM 0 HA ARG A 67 8.839 -8.025 -5.190 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.012 -7.932 -2.153 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.539 -8.513 -2.906 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.065 -10.424 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.874 -10.186 -4.230 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.017 -8.960 -4.359 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.181 -8.976 -2.614 1.00 0.00 H new ATOM 0 HE ARG A 67 11.182 -11.533 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.870 -10.758 -3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.285 -11.367 -2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 67 10.898 -11.738 -1.291 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.573 -11.931 -0.763 1.00 0.00 H new ATOM 867 N THR A 68 7.944 -5.351 -3.560 1.00 0.00 N ATOM 868 CA THR A 68 6.944 -4.257 -3.554 1.00 0.00 C ATOM 869 C THR A 68 7.616 -3.005 -4.128 1.00 0.00 C ATOM 870 O THR A 68 8.667 -2.590 -3.683 1.00 0.00 O ATOM 871 CB THR A 68 6.483 -4.020 -2.102 1.00 0.00 C ATOM 872 OG1 THR A 68 7.349 -3.017 -1.592 1.00 0.00 O ATOM 873 CG2 THR A 68 6.787 -5.241 -1.227 1.00 0.00 C ATOM 0 H THR A 68 8.745 -5.214 -2.944 1.00 0.00 H new ATOM 0 HA THR A 68 6.071 -4.506 -4.158 1.00 0.00 H new ATOM 0 HB THR A 68 5.419 -3.785 -2.091 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.934 -2.591 -0.813 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.453 -5.050 -0.207 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.264 -6.112 -1.623 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.860 -5.431 -1.228 1.00 0.00 H new ATOM 881 N ARG A 69 6.983 -2.441 -5.117 1.00 0.00 N ATOM 882 CA ARG A 69 7.520 -1.219 -5.763 1.00 0.00 C ATOM 883 C ARG A 69 6.721 -0.084 -5.143 1.00 0.00 C ATOM 884 O ARG A 69 5.607 0.197 -5.533 1.00 0.00 O ATOM 885 CB ARG A 69 7.258 -1.289 -7.271 1.00 0.00 C ATOM 886 CG ARG A 69 8.430 -0.630 -8.010 1.00 0.00 C ATOM 887 CD ARG A 69 7.963 -0.171 -9.398 1.00 0.00 C ATOM 888 NE ARG A 69 6.791 -0.999 -9.807 1.00 0.00 N ATOM 889 CZ ARG A 69 6.859 -1.762 -10.863 1.00 0.00 C ATOM 890 NH1 ARG A 69 8.021 -2.187 -11.281 1.00 0.00 N ATOM 891 NH2 ARG A 69 5.744 -2.074 -11.461 1.00 0.00 N ATOM 0 H ARG A 69 6.105 -2.782 -5.508 1.00 0.00 H new ATOM 0 HA ARG A 69 8.593 -1.094 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.149 -2.326 -7.587 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.325 -0.781 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.802 0.221 -7.439 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.256 -1.335 -8.107 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.691 0.884 -9.375 1.00 0.00 H new ATOM 0 HD3 ARG A 69 8.771 -0.276 -10.122 1.00 0.00 H new ATOM 0 HE ARG A 69 5.932 -0.968 -9.258 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.870 -1.922 -10.782 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.079 -2.784 -12.106 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.857 -1.724 -11.100 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.759 -2.669 -12.290 1.00 0.00 H new ATOM 905 N ILE A 70 7.275 0.458 -4.101 1.00 0.00 N ATOM 906 CA ILE A 70 6.576 1.568 -3.407 1.00 0.00 C ATOM 907 C ILE A 70 6.799 2.905 -4.088 1.00 0.00 C ATOM 908 O ILE A 70 7.918 3.358 -4.222 1.00 0.00 O ATOM 909 CB ILE A 70 7.156 1.721 -2.032 1.00 0.00 C ATOM 910 CG1 ILE A 70 8.678 1.544 -2.175 1.00 0.00 C ATOM 911 CG2 ILE A 70 6.603 0.642 -1.100 1.00 0.00 C ATOM 912 CD1 ILE A 70 9.377 2.170 -0.993 1.00 0.00 C ATOM 0 H ILE A 70 8.173 0.184 -3.702 1.00 0.00 H new ATOM 0 HA ILE A 70 5.515 1.319 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 70 6.902 2.694 -1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.926 0.484 -2.237 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.022 2.007 -3.100 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.032 0.765 -0.106 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.518 0.733 -1.041 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.863 -0.343 -1.488 1.00 0.00 H new ATOM 0 HD11 ILE A 70 10.454 2.042 -1.098 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.140 3.233 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.042 1.687 -0.075 1.00 0.00 H new ATOM 924 N THR A 71 5.735 3.514 -4.518 1.00 0.00 N ATOM 925 CA THR A 71 5.910 4.853 -5.118 1.00 0.00 C ATOM 926 C THR A 71 5.149 5.845 -4.223 1.00 0.00 C ATOM 927 O THR A 71 4.080 5.546 -3.723 1.00 0.00 O ATOM 928 CB THR A 71 5.364 4.872 -6.546 1.00 0.00 C ATOM 929 OG1 THR A 71 4.067 5.420 -6.398 1.00 0.00 O ATOM 930 CG2 THR A 71 5.143 3.453 -7.087 1.00 0.00 C ATOM 0 H THR A 71 4.781 3.155 -4.482 1.00 0.00 H new ATOM 0 HA THR A 71 6.964 5.123 -5.177 1.00 0.00 H new ATOM 0 HB THR A 71 6.045 5.405 -7.210 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.523 5.188 -7.179 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.755 3.508 -8.104 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.090 2.913 -7.089 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.428 2.929 -6.453 1.00 0.00 H new ATOM 938 N GLY A 72 5.768 6.969 -3.990 1.00 0.00 N ATOM 939 CA GLY A 72 5.158 8.037 -3.144 1.00 0.00 C ATOM 940 C GLY A 72 3.711 8.380 -3.521 1.00 0.00 C ATOM 941 O GLY A 72 3.164 9.340 -3.019 1.00 0.00 O ATOM 0 H GLY A 72 6.691 7.198 -4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 72 5.186 7.721 -2.101 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.766 8.938 -3.220 1.00 0.00 H new ATOM 945 N GLU A 73 3.132 7.641 -4.428 1.00 0.00 N ATOM 946 CA GLU A 73 1.717 7.917 -4.803 1.00 0.00 C ATOM 947 C GLU A 73 0.941 6.601 -4.921 1.00 0.00 C ATOM 948 O GLU A 73 -0.265 6.562 -4.796 1.00 0.00 O ATOM 949 CB GLU A 73 1.692 8.642 -6.150 1.00 0.00 C ATOM 950 CG GLU A 73 2.449 7.794 -7.185 1.00 0.00 C ATOM 951 CD GLU A 73 2.403 8.464 -8.565 1.00 0.00 C ATOM 952 OE1 GLU A 73 1.654 9.418 -8.697 1.00 0.00 O ATOM 953 OE2 GLU A 73 3.121 7.970 -9.418 1.00 0.00 O ATOM 0 H GLU A 73 3.573 6.865 -4.921 1.00 0.00 H new ATOM 0 HA GLU A 73 1.253 8.537 -4.036 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.663 8.802 -6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.154 9.625 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.485 7.665 -6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 73 2.007 6.799 -7.242 1.00 0.00 H new ATOM 960 N GLU A 74 1.640 5.533 -5.186 1.00 0.00 N ATOM 961 CA GLU A 74 0.947 4.230 -5.329 1.00 0.00 C ATOM 962 C GLU A 74 1.872 3.140 -4.820 1.00 0.00 C ATOM 963 O GLU A 74 3.077 3.260 -4.870 1.00 0.00 O ATOM 964 CB GLU A 74 0.658 3.994 -6.815 1.00 0.00 C ATOM 965 CG GLU A 74 -0.027 2.633 -6.990 1.00 0.00 C ATOM 966 CD GLU A 74 -0.303 2.400 -8.479 1.00 0.00 C ATOM 967 OE1 GLU A 74 0.650 2.521 -9.231 1.00 0.00 O ATOM 968 OE2 GLU A 74 -1.450 2.110 -8.776 1.00 0.00 O ATOM 0 H GLU A 74 2.652 5.509 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 74 0.015 4.223 -4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.020 4.788 -7.203 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.586 4.023 -7.386 1.00 0.00 H new ATOM 0 HG2 GLU A 74 0.607 1.839 -6.596 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.959 2.606 -6.426 1.00 0.00 H new ATOM 975 N VAL A 75 1.300 2.093 -4.314 1.00 0.00 N ATOM 976 CA VAL A 75 2.174 0.990 -3.843 1.00 0.00 C ATOM 977 C VAL A 75 1.824 -0.215 -4.686 1.00 0.00 C ATOM 978 O VAL A 75 0.674 -0.601 -4.755 1.00 0.00 O ATOM 979 CB VAL A 75 1.927 0.722 -2.355 1.00 0.00 C ATOM 980 CG1 VAL A 75 1.793 -0.787 -2.108 1.00 0.00 C ATOM 981 CG2 VAL A 75 3.160 1.202 -1.601 1.00 0.00 C ATOM 0 H VAL A 75 0.296 1.951 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 75 3.231 1.236 -3.947 1.00 0.00 H new ATOM 0 HB VAL A 75 1.018 1.229 -2.031 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.618 -0.968 -1.048 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.955 -1.177 -2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.711 -1.289 -2.415 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.024 1.029 -0.534 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.036 0.654 -1.949 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.304 2.268 -1.780 1.00 0.00 H new ATOM 991 N GLU A 76 2.806 -0.714 -5.382 1.00 0.00 N ATOM 992 CA GLU A 76 2.525 -1.912 -6.225 1.00 0.00 C ATOM 993 C GLU A 76 3.274 -3.134 -5.695 1.00 0.00 C ATOM 994 O GLU A 76 4.484 -3.162 -5.706 1.00 0.00 O ATOM 995 CB GLU A 76 2.975 -1.623 -7.659 1.00 0.00 C ATOM 996 CG GLU A 76 2.061 -0.543 -8.252 1.00 0.00 C ATOM 997 CD GLU A 76 2.268 -0.460 -9.770 1.00 0.00 C ATOM 998 OE1 GLU A 76 3.287 -0.962 -10.219 1.00 0.00 O ATOM 999 OE2 GLU A 76 1.391 0.111 -10.396 1.00 0.00 O ATOM 0 H GLU A 76 3.762 -0.360 -5.407 1.00 0.00 H new ATOM 0 HA GLU A 76 1.456 -2.123 -6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.012 -1.288 -7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 76 2.927 -2.531 -8.260 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.019 -0.774 -8.030 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.278 0.422 -7.793 1.00 0.00 H new ATOM 1006 N VAL A 77 2.552 -4.127 -5.257 1.00 0.00 N ATOM 1007 CA VAL A 77 3.226 -5.351 -4.742 1.00 0.00 C ATOM 1008 C VAL A 77 3.020 -6.338 -5.883 1.00 0.00 C ATOM 1009 O VAL A 77 1.899 -6.610 -6.249 1.00 0.00 O ATOM 1010 CB VAL A 77 2.527 -5.846 -3.449 1.00 0.00 C ATOM 1011 CG1 VAL A 77 3.599 -6.299 -2.456 1.00 0.00 C ATOM 1012 CG2 VAL A 77 1.724 -4.701 -2.810 1.00 0.00 C ATOM 0 H VAL A 77 1.532 -4.145 -5.233 1.00 0.00 H new ATOM 0 HA VAL A 77 4.273 -5.204 -4.478 1.00 0.00 H new ATOM 0 HB VAL A 77 1.854 -6.667 -3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.122 -6.650 -1.541 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.183 -7.108 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.257 -5.462 -2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.237 -5.060 -1.903 1.00 0.00 H new ATOM 0 HG22 VAL A 77 2.396 -3.880 -2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.968 -4.350 -3.513 1.00 0.00 H new ATOM 1022 N ARG A 78 4.070 -6.869 -6.436 1.00 0.00 N ATOM 1023 CA ARG A 78 3.848 -7.784 -7.593 1.00 0.00 C ATOM 1024 C ARG A 78 4.245 -9.215 -7.255 1.00 0.00 C ATOM 1025 O ARG A 78 4.928 -9.889 -7.999 1.00 0.00 O ATOM 1026 CB ARG A 78 4.633 -7.245 -8.800 1.00 0.00 C ATOM 1027 CG ARG A 78 6.110 -7.074 -8.444 1.00 0.00 C ATOM 1028 CD ARG A 78 6.782 -8.433 -8.582 1.00 0.00 C ATOM 1029 NE ARG A 78 8.205 -8.217 -8.964 1.00 0.00 N ATOM 1030 CZ ARG A 78 8.649 -8.716 -10.085 1.00 0.00 C ATOM 1031 NH1 ARG A 78 8.572 -7.994 -11.171 1.00 0.00 N ATOM 1032 NH2 ARG A 78 9.154 -9.919 -10.085 1.00 0.00 N ATOM 0 H ARG A 78 5.039 -6.720 -6.154 1.00 0.00 H new ATOM 0 HA ARG A 78 2.786 -7.812 -7.838 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.533 -7.930 -9.642 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.216 -6.289 -9.115 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.581 -6.346 -9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.217 -6.697 -7.427 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.721 -8.983 -7.643 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.273 -9.033 -9.337 1.00 0.00 H new ATOM 0 HE ARG A 78 8.826 -7.684 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.170 -7.057 -11.133 1.00 0.00 H new ATOM 0 HH12 ARG A 78 8.914 -8.367 -12.057 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.197 -10.454 -9.218 1.00 0.00 H new ATOM 0 HH22 ARG A 78 9.506 -10.324 -10.952 1.00 0.00 H new ATOM 1046 N ASP A 79 3.712 -9.685 -6.164 1.00 0.00 N ATOM 1047 CA ASP A 79 4.075 -11.059 -5.739 1.00 0.00 C ATOM 1048 C ASP A 79 3.052 -11.651 -4.770 1.00 0.00 C ATOM 1049 O ASP A 79 2.981 -12.853 -4.623 1.00 0.00 O ATOM 1050 CB ASP A 79 5.444 -10.989 -5.061 1.00 0.00 C ATOM 1051 CG ASP A 79 6.183 -12.316 -5.265 1.00 0.00 C ATOM 1052 OD1 ASP A 79 5.653 -13.312 -4.800 1.00 0.00 O ATOM 1053 OD2 ASP A 79 7.238 -12.254 -5.874 1.00 0.00 O ATOM 0 H ASP A 79 3.055 -9.189 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 79 4.096 -11.707 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.027 -10.168 -5.478 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.325 -10.787 -3.997 1.00 0.00 H new ATOM 1058 N SER A 80 2.287 -10.818 -4.116 1.00 0.00 N ATOM 1059 CA SER A 80 1.291 -11.382 -3.163 1.00 0.00 C ATOM 1060 C SER A 80 2.054 -12.300 -2.205 1.00 0.00 C ATOM 1061 O SER A 80 2.103 -13.497 -2.405 1.00 0.00 O ATOM 1062 CB SER A 80 0.260 -12.182 -3.969 1.00 0.00 C ATOM 1063 OG SER A 80 -0.597 -12.763 -2.997 1.00 0.00 O ATOM 0 H SER A 80 2.306 -9.801 -4.196 1.00 0.00 H new ATOM 0 HA SER A 80 0.774 -10.606 -2.599 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.296 -11.537 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.742 -12.947 -4.577 1.00 0.00 H new ATOM 0 HG SER A 80 -0.568 -12.230 -2.175 1.00 0.00 H new ATOM 1069 N ILE A 81 2.668 -11.691 -1.226 1.00 0.00 N ATOM 1070 CA ILE A 81 3.468 -12.458 -0.231 1.00 0.00 C ATOM 1071 C ILE A 81 3.116 -11.864 1.129 1.00 0.00 C ATOM 1072 O ILE A 81 2.430 -10.865 1.176 1.00 0.00 O ATOM 1073 CB ILE A 81 4.956 -12.251 -0.557 1.00 0.00 C ATOM 1074 CG1 ILE A 81 5.291 -10.750 -0.476 1.00 0.00 C ATOM 1075 CG2 ILE A 81 5.209 -12.738 -1.986 1.00 0.00 C ATOM 1076 CD1 ILE A 81 6.809 -10.575 -0.583 1.00 0.00 C ATOM 0 H ILE A 81 2.648 -10.683 -1.073 1.00 0.00 H new ATOM 0 HA ILE A 81 3.262 -13.528 -0.243 1.00 0.00 H new ATOM 0 HB ILE A 81 5.575 -12.803 0.150 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.791 -10.208 -1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.929 -10.333 0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.261 -12.599 -2.237 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.954 -13.795 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.592 -12.167 -2.680 1.00 0.00 H new ATOM 0 HD11 ILE A 81 7.058 -9.515 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 81 7.295 -11.106 0.236 1.00 0.00 H new ATOM 0 HD13 ILE A 81 7.156 -10.979 -1.534 1.00 0.00 H new ATOM 1088 N PRO A 82 3.569 -12.465 2.197 1.00 0.00 N ATOM 1089 CA PRO A 82 2.900 -12.324 3.511 1.00 0.00 C ATOM 1090 C PRO A 82 2.465 -10.877 3.784 1.00 0.00 C ATOM 1091 O PRO A 82 1.496 -10.638 4.472 1.00 0.00 O ATOM 1092 CB PRO A 82 3.942 -12.808 4.525 1.00 0.00 C ATOM 1093 CG PRO A 82 4.985 -13.638 3.721 1.00 0.00 C ATOM 1094 CD PRO A 82 4.822 -13.256 2.234 1.00 0.00 C ATOM 0 HA PRO A 82 1.977 -12.902 3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.419 -11.965 5.025 1.00 0.00 H new ATOM 0 HB3 PRO A 82 3.476 -13.416 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 82 5.996 -13.422 4.065 1.00 0.00 H new ATOM 0 HG3 PRO A 82 4.820 -14.706 3.864 1.00 0.00 H new ATOM 0 HD2 PRO A 82 5.671 -12.674 1.877 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.753 -14.141 1.601 1.00 0.00 H new ATOM 1102 N ALA A 83 3.185 -9.943 3.224 1.00 0.00 N ATOM 1103 CA ALA A 83 2.838 -8.506 3.431 1.00 0.00 C ATOM 1104 C ALA A 83 1.361 -8.191 3.127 1.00 0.00 C ATOM 1105 O ALA A 83 0.754 -7.359 3.773 1.00 0.00 O ATOM 1106 CB ALA A 83 3.737 -7.671 2.516 1.00 0.00 C ATOM 0 H ALA A 83 3.998 -10.112 2.632 1.00 0.00 H new ATOM 0 HA ALA A 83 2.995 -8.266 4.483 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.506 -6.614 2.645 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.782 -7.848 2.772 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.564 -7.956 1.478 1.00 0.00 H new ATOM 1112 N ASP A 84 0.821 -8.877 2.157 1.00 0.00 N ATOM 1113 CA ASP A 84 -0.594 -8.654 1.744 1.00 0.00 C ATOM 1114 C ASP A 84 -1.639 -9.214 2.721 1.00 0.00 C ATOM 1115 O ASP A 84 -2.777 -9.405 2.345 1.00 0.00 O ATOM 1116 CB ASP A 84 -0.791 -9.318 0.383 1.00 0.00 C ATOM 1117 CG ASP A 84 -0.347 -10.783 0.462 1.00 0.00 C ATOM 1118 OD1 ASP A 84 -0.034 -11.214 1.560 1.00 0.00 O ATOM 1119 OD2 ASP A 84 -0.356 -11.392 -0.593 1.00 0.00 O ATOM 0 H ASP A 84 1.310 -9.596 1.624 1.00 0.00 H new ATOM 0 HA ASP A 84 -0.753 -7.576 1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -1.838 -9.259 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -0.214 -8.792 -0.377 1.00 0.00 H new ATOM 1124 N SER A 85 -1.230 -9.596 3.899 1.00 0.00 N ATOM 1125 CA SER A 85 -2.236 -10.085 4.888 1.00 0.00 C ATOM 1126 C SER A 85 -2.611 -8.972 5.880 1.00 0.00 C ATOM 1127 O SER A 85 -2.308 -9.072 7.052 1.00 0.00 O ATOM 1128 CB SER A 85 -1.642 -11.271 5.651 1.00 0.00 C ATOM 1129 OG SER A 85 -0.526 -10.704 6.320 1.00 0.00 O ATOM 0 H SER A 85 -0.261 -9.592 4.218 1.00 0.00 H new ATOM 0 HA SER A 85 -3.138 -10.390 4.357 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.358 -11.697 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.342 -12.073 4.977 1.00 0.00 H new ATOM 0 HG SER A 85 -0.839 -10.114 7.037 1.00 0.00 H new ATOM 1135 N GLY A 86 -3.260 -7.935 5.420 1.00 0.00 N ATOM 1136 CA GLY A 86 -3.620 -6.849 6.378 1.00 0.00 C ATOM 1137 C GLY A 86 -4.195 -5.626 5.658 1.00 0.00 C ATOM 1138 O GLY A 86 -4.417 -5.641 4.464 1.00 0.00 O ATOM 0 H GLY A 86 -3.549 -7.794 4.452 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.349 -7.224 7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.736 -6.556 6.944 1.00 0.00 H new ATOM 1142 N LEU A 87 -4.416 -4.566 6.387 1.00 0.00 N ATOM 1143 CA LEU A 87 -4.988 -3.371 5.715 1.00 0.00 C ATOM 1144 C LEU A 87 -3.872 -2.455 5.216 1.00 0.00 C ATOM 1145 O LEU A 87 -3.004 -2.057 5.968 1.00 0.00 O ATOM 1146 CB LEU A 87 -5.871 -2.606 6.710 1.00 0.00 C ATOM 1147 CG LEU A 87 -7.206 -3.347 6.884 1.00 0.00 C ATOM 1148 CD1 LEU A 87 -6.978 -4.640 7.677 1.00 0.00 C ATOM 1149 CD2 LEU A 87 -8.166 -2.453 7.672 1.00 0.00 C ATOM 0 H LEU A 87 -4.232 -4.477 7.386 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.584 -3.695 4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.363 -2.518 7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.049 -1.593 6.350 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.622 -3.585 5.905 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.926 -5.164 7.799 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.277 -5.278 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.568 -4.398 8.658 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.118 -2.968 7.803 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.737 -2.230 8.649 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.328 -1.523 7.127 1.00 0.00 H new ATOM 1161 N TYR A 88 -3.907 -2.170 3.943 1.00 0.00 N ATOM 1162 CA TYR A 88 -2.884 -1.258 3.368 1.00 0.00 C ATOM 1163 C TYR A 88 -3.534 0.106 3.250 1.00 0.00 C ATOM 1164 O TYR A 88 -4.171 0.432 2.268 1.00 0.00 O ATOM 1165 CB TYR A 88 -2.465 -1.731 1.985 1.00 0.00 C ATOM 1166 CG TYR A 88 -1.283 -2.679 2.143 1.00 0.00 C ATOM 1167 CD1 TYR A 88 0.012 -2.205 2.127 1.00 0.00 C ATOM 1168 CD2 TYR A 88 -1.511 -4.026 2.289 1.00 0.00 C ATOM 1169 CE1 TYR A 88 1.073 -3.077 2.250 1.00 0.00 C ATOM 1170 CE2 TYR A 88 -0.458 -4.903 2.402 1.00 0.00 C ATOM 1171 CZ TYR A 88 0.844 -4.435 2.384 1.00 0.00 C ATOM 1172 OH TYR A 88 1.904 -5.311 2.478 1.00 0.00 O ATOM 0 H TYR A 88 -4.596 -2.528 3.281 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.997 -1.232 4.001 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -3.294 -2.236 1.489 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -2.190 -0.881 1.360 1.00 0.00 H new ATOM 0 HD1 TYR A 88 0.196 -1.146 2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.524 -4.399 2.315 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.085 -2.699 2.242 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.648 -5.961 2.505 1.00 0.00 H new ATOM 0 HH TYR A 88 2.659 -4.968 1.956 1.00 0.00 H new ATOM 1182 N ALA A 89 -3.353 0.882 4.274 1.00 0.00 N ATOM 1183 CA ALA A 89 -3.973 2.229 4.254 1.00 0.00 C ATOM 1184 C ALA A 89 -2.940 3.199 3.703 1.00 0.00 C ATOM 1185 O ALA A 89 -1.811 3.228 4.141 1.00 0.00 O ATOM 1186 CB ALA A 89 -4.347 2.621 5.679 1.00 0.00 C ATOM 0 H ALA A 89 -2.814 0.650 5.108 1.00 0.00 H new ATOM 0 HA ALA A 89 -4.871 2.243 3.637 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.804 3.611 5.676 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.054 1.896 6.082 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.451 2.637 6.299 1.00 0.00 H new ATOM 1192 N CYS A 90 -3.362 4.005 2.779 1.00 0.00 N ATOM 1193 CA CYS A 90 -2.413 4.965 2.170 1.00 0.00 C ATOM 1194 C CYS A 90 -2.612 6.275 2.897 1.00 0.00 C ATOM 1195 O CYS A 90 -3.700 6.813 2.863 1.00 0.00 O ATOM 1196 CB CYS A 90 -2.770 5.160 0.704 1.00 0.00 C ATOM 1197 SG CYS A 90 -3.636 6.688 0.272 1.00 0.00 S ATOM 0 H CYS A 90 -4.316 4.041 2.421 1.00 0.00 H new ATOM 0 HA CYS A 90 -1.385 4.611 2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -1.850 5.115 0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -3.388 4.319 0.390 1.00 0.00 H new ATOM 1202 N VAL A 91 -1.579 6.715 3.559 1.00 0.00 N ATOM 1203 CA VAL A 91 -1.690 8.000 4.290 1.00 0.00 C ATOM 1204 C VAL A 91 -0.835 9.038 3.581 1.00 0.00 C ATOM 1205 O VAL A 91 0.354 8.872 3.412 1.00 0.00 O ATOM 1206 CB VAL A 91 -1.175 7.841 5.715 1.00 0.00 C ATOM 1207 CG1 VAL A 91 -1.366 9.166 6.460 1.00 0.00 C ATOM 1208 CG2 VAL A 91 -1.976 6.760 6.428 1.00 0.00 C ATOM 0 H VAL A 91 -0.676 6.246 3.624 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.735 8.309 4.316 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.121 7.565 5.695 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.001 9.065 7.482 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.809 9.953 5.952 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.425 9.425 6.477 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.607 6.647 7.447 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.028 7.043 6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.867 5.815 5.895 1.00 0.00 H new ATOM 1218 N THR A 92 -1.492 10.088 3.191 1.00 0.00 N ATOM 1219 CA THR A 92 -0.796 11.198 2.494 1.00 0.00 C ATOM 1220 C THR A 92 -0.539 12.223 3.591 1.00 0.00 C ATOM 1221 O THR A 92 -1.470 12.648 4.245 1.00 0.00 O ATOM 1222 CB THR A 92 -1.733 11.766 1.434 1.00 0.00 C ATOM 1223 OG1 THR A 92 -2.851 12.236 2.173 1.00 0.00 O ATOM 1224 CG2 THR A 92 -2.300 10.642 0.567 1.00 0.00 C ATOM 0 H THR A 92 -2.493 10.226 3.327 1.00 0.00 H new ATOM 0 HA THR A 92 0.126 10.898 1.996 1.00 0.00 H new ATOM 0 HB THR A 92 -1.217 12.503 0.819 1.00 0.00 H new ATOM 0 HG1 THR A 92 -2.658 12.176 3.132 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.967 11.064 -0.185 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.483 10.116 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 92 -2.855 9.944 1.194 1.00 0.00 H new ATOM 1232 N SER A 93 0.704 12.566 3.782 1.00 0.00 N ATOM 1233 CA SER A 93 1.040 13.525 4.870 1.00 0.00 C ATOM 1234 C SER A 93 1.890 14.683 4.371 1.00 0.00 C ATOM 1235 O SER A 93 2.639 14.562 3.421 1.00 0.00 O ATOM 1236 CB SER A 93 1.839 12.785 5.947 1.00 0.00 C ATOM 1237 OG SER A 93 1.165 11.546 6.119 1.00 0.00 O ATOM 0 H SER A 93 1.496 12.227 3.236 1.00 0.00 H new ATOM 0 HA SER A 93 0.104 13.925 5.260 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.873 12.632 5.636 1.00 0.00 H new ATOM 0 HB3 SER A 93 1.866 13.352 6.878 1.00 0.00 H new ATOM 0 HG SER A 93 1.143 11.315 7.071 1.00 0.00 H new ATOM 1243 N SER A 94 1.656 15.806 4.991 1.00 0.00 N ATOM 1244 CA SER A 94 2.435 17.028 4.665 1.00 0.00 C ATOM 1245 C SER A 94 2.275 17.977 5.848 1.00 0.00 C ATOM 1246 O SER A 94 1.173 18.208 6.301 1.00 0.00 O ATOM 1247 CB SER A 94 1.873 17.642 3.393 1.00 0.00 C ATOM 1248 OG SER A 94 2.145 19.029 3.510 1.00 0.00 O ATOM 0 H SER A 94 0.950 15.928 5.717 1.00 0.00 H new ATOM 0 HA SER A 94 3.490 16.813 4.498 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.347 17.219 2.507 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.803 17.455 3.303 1.00 0.00 H new ATOM 0 HG SER A 94 2.070 19.452 2.629 1.00 0.00 H new ATOM 1254 N PRO A 95 3.379 18.478 6.333 1.00 0.00 N ATOM 1255 CA PRO A 95 3.806 18.278 7.740 1.00 0.00 C ATOM 1256 C PRO A 95 2.842 18.903 8.763 1.00 0.00 C ATOM 1257 O PRO A 95 3.089 18.860 9.951 1.00 0.00 O ATOM 1258 CB PRO A 95 5.186 18.942 7.825 1.00 0.00 C ATOM 1259 CG PRO A 95 5.380 19.763 6.516 1.00 0.00 C ATOM 1260 CD PRO A 95 4.308 19.293 5.517 1.00 0.00 C ATOM 0 HA PRO A 95 3.822 17.217 7.988 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.248 19.590 8.699 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.969 18.191 7.928 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.279 20.830 6.713 1.00 0.00 H new ATOM 0 HG3 PRO A 95 6.379 19.607 6.109 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.796 20.138 5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 95 4.747 18.707 4.709 1.00 0.00 H new ATOM 1268 N SER A 96 1.765 19.463 8.280 1.00 0.00 N ATOM 1269 CA SER A 96 0.777 20.098 9.202 1.00 0.00 C ATOM 1270 C SER A 96 -0.505 19.260 9.305 1.00 0.00 C ATOM 1271 O SER A 96 -1.213 19.325 10.289 1.00 0.00 O ATOM 1272 CB SER A 96 0.431 21.484 8.650 1.00 0.00 C ATOM 1273 OG SER A 96 -0.408 22.047 9.649 1.00 0.00 O ATOM 0 H SER A 96 1.526 19.509 7.289 1.00 0.00 H new ATOM 0 HA SER A 96 1.214 20.170 10.198 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.326 22.087 8.493 1.00 0.00 H new ATOM 0 HB3 SER A 96 -0.080 21.416 7.690 1.00 0.00 H new ATOM 0 HG SER A 96 -0.681 22.948 9.377 1.00 0.00 H new ATOM 1279 N GLY A 97 -0.773 18.493 8.282 1.00 0.00 N ATOM 1280 CA GLY A 97 -2.000 17.649 8.290 1.00 0.00 C ATOM 1281 C GLY A 97 -1.798 16.372 7.465 1.00 0.00 C ATOM 1282 O GLY A 97 -0.771 16.176 6.839 1.00 0.00 O ATOM 0 H GLY A 97 -0.196 18.415 7.444 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -2.257 17.386 9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -2.838 18.217 7.887 1.00 0.00 H new ATOM 1286 N SER A 98 -2.797 15.530 7.494 1.00 0.00 N ATOM 1287 CA SER A 98 -2.714 14.256 6.724 1.00 0.00 C ATOM 1288 C SER A 98 -4.113 13.709 6.406 1.00 0.00 C ATOM 1289 O SER A 98 -5.080 14.022 7.073 1.00 0.00 O ATOM 1290 CB SER A 98 -1.941 13.232 7.560 1.00 0.00 C ATOM 1291 OG SER A 98 -2.675 13.160 8.773 1.00 0.00 O ATOM 0 H SER A 98 -3.663 15.669 8.015 1.00 0.00 H new ATOM 0 HA SER A 98 -2.204 14.444 5.779 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.895 12.263 7.063 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.913 13.551 7.733 1.00 0.00 H new ATOM 0 HG SER A 98 -2.247 12.517 9.377 1.00 0.00 H new ATOM 1297 N ASP A 99 -4.170 12.900 5.383 1.00 0.00 N ATOM 1298 CA ASP A 99 -5.467 12.289 4.962 1.00 0.00 C ATOM 1299 C ASP A 99 -5.219 10.817 4.643 1.00 0.00 C ATOM 1300 O ASP A 99 -4.203 10.498 4.058 1.00 0.00 O ATOM 1301 CB ASP A 99 -5.965 12.999 3.699 1.00 0.00 C ATOM 1302 CG ASP A 99 -6.070 14.502 3.969 1.00 0.00 C ATOM 1303 OD1 ASP A 99 -6.866 14.842 4.829 1.00 0.00 O ATOM 1304 OD2 ASP A 99 -5.348 15.221 3.299 1.00 0.00 O ATOM 0 H ASP A 99 -3.366 12.633 4.814 1.00 0.00 H new ATOM 0 HA ASP A 99 -6.210 12.386 5.754 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.281 12.814 2.871 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -6.937 12.602 3.405 1.00 0.00 H new ATOM 1309 N THR A 100 -6.146 9.963 4.991 1.00 0.00 N ATOM 1310 CA THR A 100 -5.920 8.516 4.715 1.00 0.00 C ATOM 1311 C THR A 100 -7.053 7.832 3.945 1.00 0.00 C ATOM 1312 O THR A 100 -8.223 8.111 4.118 1.00 0.00 O ATOM 1313 CB THR A 100 -5.730 7.802 6.049 1.00 0.00 C ATOM 1314 OG1 THR A 100 -4.592 8.425 6.627 1.00 0.00 O ATOM 1315 CG2 THR A 100 -5.310 6.344 5.832 1.00 0.00 C ATOM 0 H THR A 100 -7.029 10.198 5.444 1.00 0.00 H new ATOM 0 HA THR A 100 -5.040 8.452 4.076 1.00 0.00 H new ATOM 0 HB THR A 100 -6.647 7.845 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 100 -4.460 8.086 7.537 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.180 5.855 6.798 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.081 5.824 5.263 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.370 6.314 5.281 1.00 0.00 H new ATOM 1323 N THR A 101 -6.618 6.938 3.101 1.00 0.00 N ATOM 1324 CA THR A 101 -7.527 6.115 2.249 1.00 0.00 C ATOM 1325 C THR A 101 -7.176 4.651 2.573 1.00 0.00 C ATOM 1326 O THR A 101 -6.018 4.305 2.490 1.00 0.00 O ATOM 1327 CB THR A 101 -7.184 6.442 0.787 1.00 0.00 C ATOM 1328 OG1 THR A 101 -6.190 7.455 0.877 1.00 0.00 O ATOM 1329 CG2 THR A 101 -8.329 7.163 0.077 1.00 0.00 C ATOM 0 H THR A 101 -5.628 6.736 2.961 1.00 0.00 H new ATOM 0 HA THR A 101 -8.587 6.302 2.419 1.00 0.00 H new ATOM 0 HB THR A 101 -6.925 5.521 0.265 1.00 0.00 H new ATOM 0 HG1 THR A 101 -5.451 7.243 0.269 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.043 7.374 -0.953 1.00 0.00 H new ATOM 0 HG22 THR A 101 -9.217 6.531 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 101 -8.545 8.099 0.593 1.00 0.00 H new ATOM 1337 N TYR A 102 -8.113 3.795 2.897 1.00 0.00 N ATOM 1338 CA TYR A 102 -7.669 2.410 3.261 1.00 0.00 C ATOM 1339 C TYR A 102 -7.908 1.306 2.225 1.00 0.00 C ATOM 1340 O TYR A 102 -9.016 0.888 1.962 1.00 0.00 O ATOM 1341 CB TYR A 102 -8.360 1.982 4.547 1.00 0.00 C ATOM 1342 CG TYR A 102 -8.216 3.064 5.609 1.00 0.00 C ATOM 1343 CD1 TYR A 102 -8.966 4.215 5.535 1.00 0.00 C ATOM 1344 CD2 TYR A 102 -7.349 2.885 6.663 1.00 0.00 C ATOM 1345 CE1 TYR A 102 -8.855 5.183 6.511 1.00 0.00 C ATOM 1346 CE2 TYR A 102 -7.233 3.852 7.640 1.00 0.00 C ATOM 1347 CZ TYR A 102 -7.985 5.008 7.570 1.00 0.00 C ATOM 1348 OH TYR A 102 -7.870 5.977 8.546 1.00 0.00 O ATOM 0 H TYR A 102 -9.116 3.977 2.926 1.00 0.00 H new ATOM 0 HA TYR A 102 -6.587 2.503 3.349 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -9.416 1.790 4.354 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.927 1.049 4.908 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -9.645 4.361 4.708 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -6.757 1.984 6.725 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -9.451 6.082 6.447 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -6.551 3.704 8.464 1.00 0.00 H new ATOM 0 HH TYR A 102 -7.215 5.690 9.216 1.00 0.00 H new ATOM 1358 N PHE A 103 -6.819 0.816 1.706 1.00 0.00 N ATOM 1359 CA PHE A 103 -6.861 -0.280 0.706 1.00 0.00 C ATOM 1360 C PHE A 103 -6.541 -1.565 1.446 1.00 0.00 C ATOM 1361 O PHE A 103 -5.396 -1.851 1.732 1.00 0.00 O ATOM 1362 CB PHE A 103 -5.765 -0.075 -0.330 1.00 0.00 C ATOM 1363 CG PHE A 103 -5.948 1.279 -0.987 1.00 0.00 C ATOM 1364 CD1 PHE A 103 -5.499 2.419 -0.355 1.00 0.00 C ATOM 1365 CD2 PHE A 103 -6.581 1.369 -2.206 1.00 0.00 C ATOM 1366 CE1 PHE A 103 -5.689 3.651 -0.937 1.00 0.00 C ATOM 1367 CE2 PHE A 103 -6.772 2.603 -2.793 1.00 0.00 C ATOM 1368 CZ PHE A 103 -6.330 3.744 -2.152 1.00 0.00 C ATOM 0 H PHE A 103 -5.880 1.139 1.940 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.835 -0.306 0.218 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -4.785 -0.134 0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.804 -0.865 -1.080 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.997 2.345 0.599 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.928 0.475 -2.702 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -5.336 4.544 -0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -7.266 2.677 -3.751 1.00 0.00 H new ATOM 0 HZ PHE A 103 -6.488 4.712 -2.605 1.00 0.00 H new ATOM 1378 N SER A 104 -7.546 -2.328 1.745 1.00 0.00 N ATOM 1379 CA SER A 104 -7.245 -3.594 2.460 1.00 0.00 C ATOM 1380 C SER A 104 -6.729 -4.606 1.440 1.00 0.00 C ATOM 1381 O SER A 104 -7.337 -4.845 0.417 1.00 0.00 O ATOM 1382 CB SER A 104 -8.525 -4.120 3.113 1.00 0.00 C ATOM 1383 OG SER A 104 -9.528 -3.236 2.639 1.00 0.00 O ATOM 0 H SER A 104 -8.527 -2.144 1.537 1.00 0.00 H new ATOM 0 HA SER A 104 -6.495 -3.429 3.233 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.729 -5.151 2.823 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.457 -4.103 4.201 1.00 0.00 H new ATOM 0 HG SER A 104 -9.893 -2.722 3.390 1.00 0.00 H new ATOM 1389 N VAL A 105 -5.590 -5.161 1.745 1.00 0.00 N ATOM 1390 CA VAL A 105 -4.993 -6.165 0.824 1.00 0.00 C ATOM 1391 C VAL A 105 -4.849 -7.472 1.589 1.00 0.00 C ATOM 1392 O VAL A 105 -4.257 -7.531 2.649 1.00 0.00 O ATOM 1393 CB VAL A 105 -3.615 -5.704 0.344 1.00 0.00 C ATOM 1394 CG1 VAL A 105 -3.115 -6.715 -0.683 1.00 0.00 C ATOM 1395 CG2 VAL A 105 -3.756 -4.340 -0.330 1.00 0.00 C ATOM 0 H VAL A 105 -5.050 -4.964 2.587 1.00 0.00 H new ATOM 0 HA VAL A 105 -5.634 -6.291 -0.049 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.920 -5.629 1.181 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -2.132 -6.412 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -3.044 -7.699 -0.220 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -3.811 -6.758 -1.520 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.779 -4.002 -0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -4.433 -4.422 -1.180 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.156 -3.621 0.384 1.00 0.00 H new ATOM 1405 N ASN A 106 -5.426 -8.492 1.028 1.00 0.00 N ATOM 1406 CA ASN A 106 -5.366 -9.816 1.697 1.00 0.00 C ATOM 1407 C ASN A 106 -4.933 -10.937 0.758 1.00 0.00 C ATOM 1408 O ASN A 106 -5.333 -11.016 -0.386 1.00 0.00 O ATOM 1409 CB ASN A 106 -6.751 -10.135 2.258 1.00 0.00 C ATOM 1410 CG ASN A 106 -7.824 -9.656 1.278 1.00 0.00 C ATOM 1411 OD1 ASN A 106 -8.072 -8.475 1.135 1.00 0.00 O ATOM 1412 ND2 ASN A 106 -8.484 -10.542 0.585 1.00 0.00 N ATOM 0 H ASN A 106 -5.933 -8.468 0.143 1.00 0.00 H new ATOM 0 HA ASN A 106 -4.617 -9.757 2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -6.849 -11.208 2.424 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -6.884 -9.649 3.225 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -9.204 -10.242 -0.073 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.280 -11.535 0.701 1.00 0.00 H new ATOM 1419 N VAL A 107 -4.051 -11.754 1.255 1.00 0.00 N ATOM 1420 CA VAL A 107 -3.617 -12.913 0.430 1.00 0.00 C ATOM 1421 C VAL A 107 -4.696 -13.997 0.542 1.00 0.00 C ATOM 1422 O VAL A 107 -5.178 -14.297 1.617 1.00 0.00 O ATOM 1423 CB VAL A 107 -2.279 -13.417 0.972 1.00 0.00 C ATOM 1424 CG1 VAL A 107 -2.502 -14.267 2.228 1.00 0.00 C ATOM 1425 CG2 VAL A 107 -1.593 -14.264 -0.102 1.00 0.00 C ATOM 0 H VAL A 107 -3.619 -11.674 2.176 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.489 -12.639 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.652 -12.564 1.232 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.542 -14.620 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.992 -13.664 2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -3.131 -15.122 1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -0.638 -14.628 0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -2.228 -15.112 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -1.424 -13.657 -0.991 1.00 0.00 H new ATOM 1435 N SER A 108 -5.012 -14.615 -0.562 1.00 0.00 N ATOM 1436 CA SER A 108 -6.076 -15.657 -0.532 1.00 0.00 C ATOM 1437 C SER A 108 -5.563 -16.981 0.026 1.00 0.00 C ATOM 1438 O SER A 108 -5.872 -18.049 -0.463 1.00 0.00 O ATOM 1439 CB SER A 108 -6.578 -15.863 -1.957 1.00 0.00 C ATOM 1440 OG SER A 108 -7.741 -16.663 -1.796 1.00 0.00 O ATOM 0 H SER A 108 -4.586 -14.447 -1.473 1.00 0.00 H new ATOM 0 HA SER A 108 -6.879 -15.319 0.123 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.809 -14.914 -2.440 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.832 -16.362 -2.575 1.00 0.00 H new ATOM 0 HG SER A 108 -7.525 -17.449 -1.251 1.00 0.00 H new TER 1446 SER A 108