USER MOD reduce.3.24.130724 H: found=0, std=0, add=975, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 973 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 113 ASN : amide:sc= -2.16 K(o=-2.2,f=-4.7!) USER MOD Set 1.2: A 114 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 67 CYS SG : rot -160:sc= -0.783 USER MOD Set 2.2: A 83 THR OG1 : rot 98:sc= 0.292 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0786 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 153:sc=-0.00486 (180deg=-0.757) USER MOD Single : A 27 ASN : amide:sc= -0.287 K(o=-0.29,f=-1.8) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.192 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -0.86 K(o=-0.86,f=-2.1!) USER MOD Single : A 44 THR OG1 : rot 48:sc= 0.35 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-4.2!) USER MOD Single : A 57 ASN : amide:sc= -2.29! X(o=-2.3!,f=-2.6) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -1.73 K(o=-1.7,f=-2.6!) USER MOD Single : A 68 GLN : amide:sc= -0.0103 K(o=-0.01,f=-2!) USER MOD Single : A 71 GLN : amide:sc= -2.98! C(o=-3!,f=-2.7!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot -22:sc= 0.541 USER MOD Single : A 93 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 95 CYS SG : rot -39:sc= 0.334 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -166:sc=-0.00835 (180deg=-0.0778) USER MOD Single : A 115 THR OG1 : rot 173:sc= 0.438 USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 6:sc= 0.349 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.875 7.509 -0.855 1.00 0.00 N ATOM 2 CA GLY A 1 -10.660 7.493 0.365 1.00 0.00 C ATOM 3 C GLY A 1 -10.028 8.312 1.473 1.00 0.00 C ATOM 4 O GLY A 1 -8.931 8.846 1.310 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.431 7.941 -1.620 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.008 8.063 -0.703 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.622 6.535 -1.118 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.658 7.879 0.156 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.781 6.463 0.702 1.00 0.00 H new ATOM 8 N SER A 2 -10.721 8.413 2.602 1.00 0.00 N ATOM 9 CA SER A 2 -10.223 9.178 3.739 1.00 0.00 C ATOM 10 C SER A 2 -8.932 8.569 4.280 1.00 0.00 C ATOM 11 O SER A 2 -8.599 7.424 3.977 1.00 0.00 O ATOM 12 CB SER A 2 -11.277 9.231 4.846 1.00 0.00 C ATOM 13 OG SER A 2 -10.980 10.251 5.785 1.00 0.00 O ATOM 0 H SER A 2 -11.629 7.975 2.754 1.00 0.00 H new ATOM 0 HA SER A 2 -10.012 10.192 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.259 9.410 4.409 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.324 8.268 5.354 1.00 0.00 H new ATOM 0 HG SER A 2 -11.669 10.265 6.481 1.00 0.00 H new ATOM 19 N SER A 3 -8.209 9.346 5.081 1.00 0.00 N ATOM 20 CA SER A 3 -6.953 8.886 5.661 1.00 0.00 C ATOM 21 C SER A 3 -7.080 8.723 7.173 1.00 0.00 C ATOM 22 O SER A 3 -6.760 7.671 7.724 1.00 0.00 O ATOM 23 CB SER A 3 -5.827 9.869 5.336 1.00 0.00 C ATOM 24 OG SER A 3 -5.356 9.685 4.012 1.00 0.00 O ATOM 0 H SER A 3 -8.472 10.296 5.343 1.00 0.00 H new ATOM 0 HA SER A 3 -6.715 7.915 5.227 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.185 10.891 5.459 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.006 9.732 6.040 1.00 0.00 H new ATOM 0 HG SER A 3 -4.638 10.326 3.828 1.00 0.00 H new ATOM 30 N GLY A 4 -7.552 9.774 7.838 1.00 0.00 N ATOM 31 CA GLY A 4 -7.713 9.728 9.279 1.00 0.00 C ATOM 32 C GLY A 4 -6.453 10.133 10.017 1.00 0.00 C ATOM 33 O GLY A 4 -6.090 11.309 10.041 1.00 0.00 O ATOM 0 H GLY A 4 -7.825 10.656 7.404 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.530 10.388 9.571 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.997 8.719 9.578 1.00 0.00 H new ATOM 37 N SER A 5 -5.784 9.157 10.623 1.00 0.00 N ATOM 38 CA SER A 5 -4.559 9.419 11.370 1.00 0.00 C ATOM 39 C SER A 5 -3.411 9.766 10.427 1.00 0.00 C ATOM 40 O SER A 5 -3.404 9.360 9.265 1.00 0.00 O ATOM 41 CB SER A 5 -4.187 8.204 12.222 1.00 0.00 C ATOM 42 OG SER A 5 -3.389 8.584 13.330 1.00 0.00 O ATOM 0 H SER A 5 -6.070 8.178 10.611 1.00 0.00 H new ATOM 0 HA SER A 5 -4.737 10.272 12.025 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.093 7.712 12.574 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.647 7.480 11.612 1.00 0.00 H new ATOM 0 HG SER A 5 -3.166 7.790 13.860 1.00 0.00 H new ATOM 48 N SER A 6 -2.441 10.518 10.937 1.00 0.00 N ATOM 49 CA SER A 6 -1.289 10.923 10.141 1.00 0.00 C ATOM 50 C SER A 6 -0.169 9.892 10.242 1.00 0.00 C ATOM 51 O SER A 6 0.369 9.647 11.321 1.00 0.00 O ATOM 52 CB SER A 6 -0.781 12.291 10.599 1.00 0.00 C ATOM 53 OG SER A 6 -1.823 13.252 10.590 1.00 0.00 O ATOM 0 H SER A 6 -2.430 10.859 11.898 1.00 0.00 H new ATOM 0 HA SER A 6 -1.604 10.991 9.100 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.365 12.210 11.603 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.027 12.620 9.945 1.00 0.00 H new ATOM 0 HG SER A 6 -1.473 14.117 10.888 1.00 0.00 H new ATOM 59 N GLY A 7 0.177 9.290 9.108 1.00 0.00 N ATOM 60 CA GLY A 7 1.230 8.292 9.090 1.00 0.00 C ATOM 61 C GLY A 7 0.766 6.968 8.515 1.00 0.00 C ATOM 62 O GLY A 7 1.383 6.432 7.594 1.00 0.00 O ATOM 0 H GLY A 7 -0.253 9.476 8.202 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.069 8.665 8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.595 8.136 10.105 1.00 0.00 H new ATOM 66 N LEU A 8 -0.325 6.439 9.059 1.00 0.00 N ATOM 67 CA LEU A 8 -0.872 5.169 8.596 1.00 0.00 C ATOM 68 C LEU A 8 -2.056 5.394 7.662 1.00 0.00 C ATOM 69 O LEU A 8 -2.782 6.381 7.790 1.00 0.00 O ATOM 70 CB LEU A 8 -1.302 4.311 9.787 1.00 0.00 C ATOM 71 CG LEU A 8 -2.117 3.061 9.455 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.233 2.002 8.815 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.789 2.514 10.706 1.00 0.00 C ATOM 0 H LEU A 8 -0.848 6.870 9.821 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.092 4.646 8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.408 4.004 10.329 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.888 4.933 10.464 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.894 3.336 8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.830 1.120 8.586 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.800 2.396 7.896 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.434 1.730 9.504 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.365 1.624 10.450 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.029 2.255 11.443 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.455 3.270 11.121 1.00 0.00 H new ATOM 85 N VAL A 9 -2.248 4.472 6.724 1.00 0.00 N ATOM 86 CA VAL A 9 -3.347 4.568 5.771 1.00 0.00 C ATOM 87 C VAL A 9 -4.395 3.492 6.030 1.00 0.00 C ATOM 88 O VAL A 9 -5.565 3.794 6.265 1.00 0.00 O ATOM 89 CB VAL A 9 -2.845 4.441 4.321 1.00 0.00 C ATOM 90 CG1 VAL A 9 -4.008 4.520 3.344 1.00 0.00 C ATOM 91 CG2 VAL A 9 -1.811 5.515 4.019 1.00 0.00 C ATOM 0 H VAL A 9 -1.656 3.650 6.604 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.798 5.551 5.907 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.369 3.467 4.204 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.634 4.428 2.324 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.709 3.711 3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.516 5.478 3.459 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.467 5.410 2.990 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -2.259 6.500 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.965 5.406 4.697 1.00 0.00 H new ATOM 101 N ARG A 10 -3.968 2.234 5.986 1.00 0.00 N ATOM 102 CA ARG A 10 -4.869 1.112 6.216 1.00 0.00 C ATOM 103 C ARG A 10 -4.110 -0.093 6.763 1.00 0.00 C ATOM 104 O ARG A 10 -2.888 -0.174 6.646 1.00 0.00 O ATOM 105 CB ARG A 10 -5.584 0.731 4.918 1.00 0.00 C ATOM 106 CG ARG A 10 -6.880 -0.033 5.138 1.00 0.00 C ATOM 107 CD ARG A 10 -7.795 0.062 3.928 1.00 0.00 C ATOM 108 NE ARG A 10 -9.177 -0.274 4.259 1.00 0.00 N ATOM 109 CZ ARG A 10 -10.038 0.590 4.786 1.00 0.00 C ATOM 110 NH1 ARG A 10 -9.661 1.836 5.039 1.00 0.00 N ATOM 111 NH2 ARG A 10 -11.279 0.209 5.059 1.00 0.00 N ATOM 0 H ARG A 10 -3.003 1.967 5.793 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.609 1.419 6.955 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.798 1.637 4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -4.914 0.125 4.308 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.656 -1.080 5.345 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.392 0.363 6.015 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.755 1.073 3.522 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.436 -0.609 3.148 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.499 -1.224 4.076 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.708 2.133 4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -10.324 2.497 5.444 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.573 -0.748 4.864 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -11.939 0.873 5.464 1.00 0.00 H new ATOM 125 N GLY A 11 -4.843 -1.027 7.362 1.00 0.00 N ATOM 126 CA GLY A 11 -4.221 -2.214 7.919 1.00 0.00 C ATOM 127 C GLY A 11 -5.144 -3.417 7.895 1.00 0.00 C ATOM 128 O GLY A 11 -6.254 -3.346 7.369 1.00 0.00 O ATOM 0 H GLY A 11 -5.856 -0.983 7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.315 -2.443 7.358 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.917 -2.013 8.946 1.00 0.00 H new ATOM 132 N GLY A 12 -4.683 -4.526 8.466 1.00 0.00 N ATOM 133 CA GLY A 12 -5.487 -5.734 8.496 1.00 0.00 C ATOM 134 C GLY A 12 -4.651 -6.990 8.349 1.00 0.00 C ATOM 135 O GLY A 12 -3.437 -6.916 8.159 1.00 0.00 O ATOM 0 H GLY A 12 -3.768 -4.609 8.908 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.039 -5.776 9.435 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.224 -5.696 7.694 1.00 0.00 H new ATOM 139 N TRP A 13 -5.301 -8.144 8.438 1.00 0.00 N ATOM 140 CA TRP A 13 -4.609 -9.422 8.315 1.00 0.00 C ATOM 141 C TRP A 13 -4.815 -10.022 6.928 1.00 0.00 C ATOM 142 O TRP A 13 -5.930 -10.030 6.404 1.00 0.00 O ATOM 143 CB TRP A 13 -5.103 -10.398 9.385 1.00 0.00 C ATOM 144 CG TRP A 13 -4.642 -10.047 10.767 1.00 0.00 C ATOM 145 CD1 TRP A 13 -5.204 -9.131 11.610 1.00 0.00 C ATOM 146 CD2 TRP A 13 -3.524 -10.604 11.465 1.00 0.00 C ATOM 147 NE1 TRP A 13 -4.502 -9.085 12.790 1.00 0.00 N ATOM 148 CE2 TRP A 13 -3.467 -9.980 12.727 1.00 0.00 C ATOM 149 CE3 TRP A 13 -2.566 -11.571 11.149 1.00 0.00 C ATOM 150 CZ2 TRP A 13 -2.490 -10.292 13.668 1.00 0.00 C ATOM 151 CZ3 TRP A 13 -1.596 -11.879 12.084 1.00 0.00 C ATOM 152 CH2 TRP A 13 -1.564 -11.242 13.332 1.00 0.00 C ATOM 0 H TRP A 13 -6.306 -8.222 8.595 1.00 0.00 H new ATOM 0 HA TRP A 13 -3.543 -9.245 8.459 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -6.193 -10.423 9.369 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.757 -11.402 9.138 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -6.073 -8.531 11.382 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.717 -8.482 13.584 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -2.583 -12.069 10.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -2.464 -9.801 14.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.850 -12.623 11.849 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.794 -11.506 14.042 1.00 0.00 H new ATOM 163 N LEU A 14 -3.736 -10.523 6.339 1.00 0.00 N ATOM 164 CA LEU A 14 -3.799 -11.125 5.012 1.00 0.00 C ATOM 165 C LEU A 14 -2.939 -12.383 4.943 1.00 0.00 C ATOM 166 O LEU A 14 -1.912 -12.481 5.615 1.00 0.00 O ATOM 167 CB LEU A 14 -3.340 -10.122 3.952 1.00 0.00 C ATOM 168 CG LEU A 14 -4.057 -8.771 3.952 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.171 -7.696 3.342 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.377 -8.867 3.201 1.00 0.00 C ATOM 0 H LEU A 14 -2.806 -10.525 6.759 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.835 -11.403 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.273 -9.945 4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.466 -10.578 2.970 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.269 -8.495 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.698 -6.742 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.253 -7.609 3.923 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.926 -7.966 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.873 -7.896 3.211 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.188 -9.167 2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.017 -9.607 3.683 1.00 0.00 H new ATOM 182 N TRP A 15 -3.364 -13.340 4.126 1.00 0.00 N ATOM 183 CA TRP A 15 -2.631 -14.591 3.968 1.00 0.00 C ATOM 184 C TRP A 15 -1.481 -14.427 2.981 1.00 0.00 C ATOM 185 O TRP A 15 -1.693 -14.086 1.817 1.00 0.00 O ATOM 186 CB TRP A 15 -3.571 -15.701 3.495 1.00 0.00 C ATOM 187 CG TRP A 15 -4.505 -16.183 4.563 1.00 0.00 C ATOM 188 CD1 TRP A 15 -5.860 -16.012 4.606 1.00 0.00 C ATOM 189 CD2 TRP A 15 -4.154 -16.913 5.744 1.00 0.00 C ATOM 190 NE1 TRP A 15 -6.372 -16.592 5.741 1.00 0.00 N ATOM 191 CE2 TRP A 15 -5.346 -17.152 6.456 1.00 0.00 C ATOM 192 CE3 TRP A 15 -2.950 -17.389 6.268 1.00 0.00 C ATOM 193 CZ2 TRP A 15 -5.365 -17.845 7.663 1.00 0.00 C ATOM 194 CZ3 TRP A 15 -2.970 -18.077 7.466 1.00 0.00 C ATOM 195 CH2 TRP A 15 -4.171 -18.300 8.153 1.00 0.00 C ATOM 0 H TRP A 15 -4.212 -13.274 3.563 1.00 0.00 H new ATOM 0 HA TRP A 15 -2.216 -14.865 4.938 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -4.154 -15.337 2.649 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.977 -16.541 3.135 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -6.443 -15.496 3.857 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -7.356 -16.604 6.008 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.019 -17.222 5.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -6.289 -18.018 8.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -2.045 -18.449 7.880 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -4.154 -18.841 9.087 1.00 0.00 H new ATOM 206 N ARG A 16 -0.262 -14.672 3.452 1.00 0.00 N ATOM 207 CA ARG A 16 0.922 -14.550 2.610 1.00 0.00 C ATOM 208 C ARG A 16 1.502 -15.923 2.285 1.00 0.00 C ATOM 209 O ARG A 16 1.542 -16.808 3.140 1.00 0.00 O ATOM 210 CB ARG A 16 1.979 -13.688 3.302 1.00 0.00 C ATOM 211 CG ARG A 16 3.318 -13.672 2.581 1.00 0.00 C ATOM 212 CD ARG A 16 4.189 -12.517 3.050 1.00 0.00 C ATOM 213 NE ARG A 16 4.974 -12.868 4.231 1.00 0.00 N ATOM 214 CZ ARG A 16 6.088 -13.591 4.184 1.00 0.00 C ATOM 215 NH1 ARG A 16 6.544 -14.037 3.022 1.00 0.00 N ATOM 216 NH2 ARG A 16 6.747 -13.869 5.302 1.00 0.00 N ATOM 0 H ARG A 16 -0.069 -14.956 4.412 1.00 0.00 H new ATOM 0 HA ARG A 16 0.626 -14.070 1.677 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.607 -12.667 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.127 -14.055 4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.837 -14.615 2.754 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.153 -13.592 1.507 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.860 -12.218 2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.559 -11.656 3.276 1.00 0.00 H new ATOM 0 HE ARG A 16 4.649 -12.540 5.141 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.040 -13.825 2.161 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.399 -14.592 2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 16 6.398 -13.528 6.198 1.00 0.00 H new ATOM 0 HH22 ARG A 16 7.602 -14.424 5.265 1.00 0.00 H new ATOM 230 N GLN A 17 1.949 -16.093 1.045 1.00 0.00 N ATOM 231 CA GLN A 17 2.525 -17.359 0.608 1.00 0.00 C ATOM 232 C GLN A 17 4.043 -17.259 0.503 1.00 0.00 C ATOM 233 O GLN A 17 4.590 -16.179 0.278 1.00 0.00 O ATOM 234 CB GLN A 17 1.935 -17.774 -0.741 1.00 0.00 C ATOM 235 CG GLN A 17 1.903 -19.279 -0.954 1.00 0.00 C ATOM 236 CD GLN A 17 1.316 -19.666 -2.297 1.00 0.00 C ATOM 237 OE1 GLN A 17 1.839 -19.291 -3.347 1.00 0.00 O ATOM 238 NE2 GLN A 17 0.223 -20.419 -2.271 1.00 0.00 N ATOM 0 H GLN A 17 1.923 -15.370 0.326 1.00 0.00 H new ATOM 0 HA GLN A 17 2.280 -18.117 1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 17 0.921 -17.383 -0.820 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.517 -17.315 -1.540 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.916 -19.675 -0.877 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.318 -19.742 -0.159 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -0.177 -20.707 -1.378 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -0.217 -20.710 -3.144 1.00 0.00 H new ATOM 247 N SER A 18 4.719 -18.391 0.668 1.00 0.00 N ATOM 248 CA SER A 18 6.175 -18.430 0.596 1.00 0.00 C ATOM 249 C SER A 18 6.637 -19.047 -0.721 1.00 0.00 C ATOM 250 O SER A 18 5.827 -19.532 -1.510 1.00 0.00 O ATOM 251 CB SER A 18 6.744 -19.226 1.772 1.00 0.00 C ATOM 252 OG SER A 18 8.075 -18.831 2.058 1.00 0.00 O ATOM 0 H SER A 18 4.282 -19.294 0.853 1.00 0.00 H new ATOM 0 HA SER A 18 6.544 -17.406 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.120 -19.076 2.653 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.719 -20.291 1.541 1.00 0.00 H new ATOM 0 HG SER A 18 8.416 -19.353 2.814 1.00 0.00 H new ATOM 258 N SER A 19 7.946 -19.023 -0.951 1.00 0.00 N ATOM 259 CA SER A 19 8.518 -19.576 -2.173 1.00 0.00 C ATOM 260 C SER A 19 8.903 -21.039 -1.979 1.00 0.00 C ATOM 261 O SER A 19 8.768 -21.854 -2.893 1.00 0.00 O ATOM 262 CB SER A 19 9.744 -18.766 -2.599 1.00 0.00 C ATOM 263 OG SER A 19 9.410 -17.405 -2.807 1.00 0.00 O ATOM 0 H SER A 19 8.630 -18.626 -0.307 1.00 0.00 H new ATOM 0 HA SER A 19 7.763 -19.518 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 19 10.517 -18.841 -1.834 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.160 -19.185 -3.515 1.00 0.00 H new ATOM 0 HG SER A 19 10.211 -16.909 -3.077 1.00 0.00 H new ATOM 269 N ILE A 20 9.383 -21.365 -0.784 1.00 0.00 N ATOM 270 CA ILE A 20 9.787 -22.730 -0.469 1.00 0.00 C ATOM 271 C ILE A 20 8.700 -23.457 0.315 1.00 0.00 C ATOM 272 O ILE A 20 8.384 -24.614 0.033 1.00 0.00 O ATOM 273 CB ILE A 20 11.095 -22.757 0.342 1.00 0.00 C ATOM 274 CG1 ILE A 20 12.267 -22.291 -0.524 1.00 0.00 C ATOM 275 CG2 ILE A 20 11.353 -24.155 0.885 1.00 0.00 C ATOM 276 CD1 ILE A 20 12.438 -20.788 -0.552 1.00 0.00 C ATOM 0 H ILE A 20 9.502 -20.703 -0.018 1.00 0.00 H new ATOM 0 HA ILE A 20 9.949 -23.239 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 20 10.997 -22.074 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 20 13.185 -22.746 -0.153 1.00 0.00 H new ATOM 0 HG13 ILE A 20 12.121 -22.651 -1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 20 12.281 -24.158 1.456 1.00 0.00 H new ATOM 0 HG22 ILE A 20 10.528 -24.452 1.532 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.435 -24.858 0.056 1.00 0.00 H new ATOM 0 HD11 ILE A 20 13.287 -20.530 -1.185 1.00 0.00 H new ATOM 0 HD12 ILE A 20 11.535 -20.326 -0.951 1.00 0.00 H new ATOM 0 HD13 ILE A 20 12.615 -20.423 0.460 1.00 0.00 H new ATOM 288 N LEU A 21 8.130 -22.772 1.301 1.00 0.00 N ATOM 289 CA LEU A 21 7.077 -23.352 2.126 1.00 0.00 C ATOM 290 C LEU A 21 5.750 -23.383 1.374 1.00 0.00 C ATOM 291 O LEU A 21 4.845 -24.141 1.722 1.00 0.00 O ATOM 292 CB LEU A 21 6.922 -22.556 3.423 1.00 0.00 C ATOM 293 CG LEU A 21 6.447 -23.347 4.643 1.00 0.00 C ATOM 294 CD1 LEU A 21 7.601 -24.126 5.256 1.00 0.00 C ATOM 295 CD2 LEU A 21 5.824 -22.416 5.673 1.00 0.00 C ATOM 0 H LEU A 21 8.380 -21.814 1.548 1.00 0.00 H new ATOM 0 HA LEU A 21 7.361 -24.376 2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 21 7.882 -22.099 3.662 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.218 -21.743 3.245 1.00 0.00 H new ATOM 0 HG LEU A 21 5.687 -24.058 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 21 7.244 -24.683 6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 21 8.003 -24.821 4.519 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.383 -23.433 5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 21 5.492 -22.996 6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.563 -21.681 5.994 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.970 -21.903 5.230 1.00 0.00 H new ATOM 307 N ARG A 22 5.644 -22.556 0.339 1.00 0.00 N ATOM 308 CA ARG A 22 4.428 -22.489 -0.464 1.00 0.00 C ATOM 309 C ARG A 22 3.188 -22.611 0.417 1.00 0.00 C ATOM 310 O ARG A 22 2.132 -23.049 -0.039 1.00 0.00 O ATOM 311 CB ARG A 22 4.428 -23.596 -1.520 1.00 0.00 C ATOM 312 CG ARG A 22 5.165 -23.221 -2.795 1.00 0.00 C ATOM 313 CD ARG A 22 4.244 -22.532 -3.790 1.00 0.00 C ATOM 314 NE ARG A 22 3.449 -23.490 -4.554 1.00 0.00 N ATOM 315 CZ ARG A 22 3.898 -24.122 -5.632 1.00 0.00 C ATOM 316 NH1 ARG A 22 5.129 -23.900 -6.071 1.00 0.00 N ATOM 317 NH2 ARG A 22 3.115 -24.980 -6.274 1.00 0.00 N ATOM 0 H ARG A 22 6.385 -21.923 0.037 1.00 0.00 H new ATOM 0 HA ARG A 22 4.404 -21.520 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.884 -24.491 -1.096 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.397 -23.850 -1.767 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.999 -22.562 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.587 -24.117 -3.249 1.00 0.00 H new ATOM 0 HD2 ARG A 22 3.579 -21.852 -3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.838 -21.926 -4.474 1.00 0.00 H new ATOM 0 HE ARG A 22 2.497 -23.684 -4.243 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.735 -23.242 -5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.471 -24.387 -6.899 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.167 -25.154 -5.939 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.461 -25.465 -7.102 1.00 0.00 H new ATOM 331 N ARG A 23 3.325 -22.221 1.680 1.00 0.00 N ATOM 332 CA ARG A 23 2.216 -22.289 2.624 1.00 0.00 C ATOM 333 C ARG A 23 1.760 -20.890 3.028 1.00 0.00 C ATOM 334 O ARG A 23 2.573 -19.974 3.155 1.00 0.00 O ATOM 335 CB ARG A 23 2.624 -23.082 3.867 1.00 0.00 C ATOM 336 CG ARG A 23 2.468 -24.586 3.708 1.00 0.00 C ATOM 337 CD ARG A 23 2.955 -25.330 4.942 1.00 0.00 C ATOM 338 NE ARG A 23 2.275 -24.883 6.154 1.00 0.00 N ATOM 339 CZ ARG A 23 2.340 -25.528 7.314 1.00 0.00 C ATOM 340 NH1 ARG A 23 3.051 -26.642 7.417 1.00 0.00 N ATOM 341 NH2 ARG A 23 1.693 -25.058 8.373 1.00 0.00 N ATOM 0 H ARG A 23 4.192 -21.855 2.073 1.00 0.00 H new ATOM 0 HA ARG A 23 1.385 -22.797 2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 23 3.663 -22.856 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.022 -22.750 4.713 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.421 -24.827 3.526 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.028 -24.921 2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.792 -26.399 4.808 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.029 -25.183 5.054 1.00 0.00 H new ATOM 0 HE ARG A 23 1.720 -24.029 6.108 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.550 -27.006 6.605 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.100 -27.135 8.308 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.145 -24.201 8.297 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.743 -25.554 9.263 1.00 0.00 H new ATOM 355 N TRP A 24 0.457 -20.733 3.228 1.00 0.00 N ATOM 356 CA TRP A 24 -0.107 -19.445 3.617 1.00 0.00 C ATOM 357 C TRP A 24 0.128 -19.173 5.098 1.00 0.00 C ATOM 358 O TRP A 24 0.118 -20.091 5.918 1.00 0.00 O ATOM 359 CB TRP A 24 -1.606 -19.408 3.310 1.00 0.00 C ATOM 360 CG TRP A 24 -1.916 -19.513 1.848 1.00 0.00 C ATOM 361 CD1 TRP A 24 -2.242 -20.645 1.158 1.00 0.00 C ATOM 362 CD2 TRP A 24 -1.926 -18.443 0.895 1.00 0.00 C ATOM 363 NE1 TRP A 24 -2.455 -20.344 -0.166 1.00 0.00 N ATOM 364 CE2 TRP A 24 -2.268 -19.000 -0.352 1.00 0.00 C ATOM 365 CE3 TRP A 24 -1.682 -17.070 0.976 1.00 0.00 C ATOM 366 CZ2 TRP A 24 -2.370 -18.231 -1.508 1.00 0.00 C ATOM 367 CZ3 TRP A 24 -1.783 -16.307 -0.172 1.00 0.00 C ATOM 368 CH2 TRP A 24 -2.125 -16.888 -1.400 1.00 0.00 C ATOM 0 H TRP A 24 -0.229 -21.481 3.127 1.00 0.00 H new ATOM 0 HA TRP A 24 0.394 -18.668 3.040 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.098 -20.225 3.838 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.026 -18.480 3.697 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.321 -21.632 1.589 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.711 -21.013 -0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -1.419 -16.613 1.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.633 -18.677 -2.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.595 -15.245 -0.121 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.197 -16.264 -2.279 1.00 0.00 H new ATOM 379 N LYS A 25 0.340 -17.905 5.436 1.00 0.00 N ATOM 380 CA LYS A 25 0.577 -17.511 6.820 1.00 0.00 C ATOM 381 C LYS A 25 -0.072 -16.164 7.120 1.00 0.00 C ATOM 382 O LYS A 25 -0.044 -15.253 6.293 1.00 0.00 O ATOM 383 CB LYS A 25 2.079 -17.439 7.101 1.00 0.00 C ATOM 384 CG LYS A 25 2.831 -16.514 6.160 1.00 0.00 C ATOM 385 CD LYS A 25 4.296 -16.900 6.050 1.00 0.00 C ATOM 386 CE LYS A 25 5.126 -16.260 7.152 1.00 0.00 C ATOM 387 NZ LYS A 25 4.985 -16.983 8.445 1.00 0.00 N ATOM 0 H LYS A 25 0.352 -17.133 4.770 1.00 0.00 H new ATOM 0 HA LYS A 25 0.128 -18.264 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.232 -17.103 8.127 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.502 -18.441 7.027 1.00 0.00 H new ATOM 0 HG2 LYS A 25 2.371 -16.546 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.750 -15.487 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.392 -17.984 6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.682 -16.593 5.078 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.175 -16.248 6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.819 -15.222 7.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.844 -16.845 9.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.162 -16.612 8.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.850 -17.998 8.262 1.00 0.00 H new ATOM 401 N ARG A 26 -0.655 -16.045 8.309 1.00 0.00 N ATOM 402 CA ARG A 26 -1.310 -14.809 8.718 1.00 0.00 C ATOM 403 C ARG A 26 -0.281 -13.738 9.068 1.00 0.00 C ATOM 404 O ARG A 26 0.672 -13.996 9.802 1.00 0.00 O ATOM 405 CB ARG A 26 -2.225 -15.064 9.917 1.00 0.00 C ATOM 406 CG ARG A 26 -3.646 -15.440 9.530 1.00 0.00 C ATOM 407 CD ARG A 26 -4.348 -16.192 10.650 1.00 0.00 C ATOM 408 NE ARG A 26 -3.614 -17.390 11.048 1.00 0.00 N ATOM 409 CZ ARG A 26 -3.912 -18.111 12.124 1.00 0.00 C ATOM 410 NH1 ARG A 26 -4.923 -17.756 12.905 1.00 0.00 N ATOM 411 NH2 ARG A 26 -3.197 -19.189 12.420 1.00 0.00 N ATOM 0 H ARG A 26 -0.687 -16.790 9.005 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.910 -14.452 7.881 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.800 -15.863 10.524 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.252 -14.170 10.540 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -4.209 -14.539 9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.628 -16.057 8.631 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.463 -15.534 11.512 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.350 -16.472 10.326 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.830 -17.690 10.469 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.474 -16.928 12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -5.149 -18.311 13.730 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.418 -19.465 11.822 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.426 -19.742 13.246 1.00 0.00 H new ATOM 425 N ASN A 27 -0.482 -12.536 8.538 1.00 0.00 N ATOM 426 CA ASN A 27 0.429 -11.426 8.794 1.00 0.00 C ATOM 427 C ASN A 27 -0.314 -10.094 8.761 1.00 0.00 C ATOM 428 O ASN A 27 -1.314 -9.947 8.059 1.00 0.00 O ATOM 429 CB ASN A 27 1.559 -11.418 7.763 1.00 0.00 C ATOM 430 CG ASN A 27 2.743 -12.262 8.196 1.00 0.00 C ATOM 431 OD1 ASN A 27 2.682 -13.491 8.180 1.00 0.00 O ATOM 432 ND2 ASN A 27 3.828 -11.603 8.586 1.00 0.00 N ATOM 0 H ASN A 27 -1.267 -12.306 7.929 1.00 0.00 H new ATOM 0 HA ASN A 27 0.855 -11.560 9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.181 -11.789 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.889 -10.392 7.597 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.656 -12.117 8.888 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.834 -10.583 8.583 1.00 0.00 H new ATOM 439 N TRP A 28 0.183 -9.127 9.523 1.00 0.00 N ATOM 440 CA TRP A 28 -0.433 -7.806 9.581 1.00 0.00 C ATOM 441 C TRP A 28 0.329 -6.811 8.712 1.00 0.00 C ATOM 442 O TRP A 28 1.512 -6.556 8.936 1.00 0.00 O ATOM 443 CB TRP A 28 -0.484 -7.306 11.026 1.00 0.00 C ATOM 444 CG TRP A 28 -0.926 -5.879 11.146 1.00 0.00 C ATOM 445 CD1 TRP A 28 -0.145 -4.766 11.024 1.00 0.00 C ATOM 446 CD2 TRP A 28 -2.253 -5.413 11.413 1.00 0.00 C ATOM 447 NE1 TRP A 28 -0.906 -3.636 11.199 1.00 0.00 N ATOM 448 CE2 TRP A 28 -2.203 -4.006 11.439 1.00 0.00 C ATOM 449 CE3 TRP A 28 -3.479 -6.048 11.632 1.00 0.00 C ATOM 450 CZ2 TRP A 28 -3.332 -3.225 11.675 1.00 0.00 C ATOM 451 CZ3 TRP A 28 -4.598 -5.272 11.867 1.00 0.00 C ATOM 452 CH2 TRP A 28 -4.518 -3.873 11.886 1.00 0.00 C ATOM 0 H TRP A 28 1.011 -9.232 10.109 1.00 0.00 H new ATOM 0 HA TRP A 28 -1.450 -7.890 9.198 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.163 -7.938 11.598 1.00 0.00 H new ATOM 0 HB3 TRP A 28 0.504 -7.412 11.474 1.00 0.00 H new ATOM 0 HD1 TRP A 28 0.916 -4.773 10.820 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.561 -2.677 11.157 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.550 -7.126 11.618 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -3.273 -2.147 11.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -5.550 -5.752 12.039 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.411 -3.295 12.071 1.00 0.00 H new ATOM 463 N PHE A 29 -0.356 -6.252 7.720 1.00 0.00 N ATOM 464 CA PHE A 29 0.258 -5.285 6.817 1.00 0.00 C ATOM 465 C PHE A 29 -0.218 -3.870 7.131 1.00 0.00 C ATOM 466 O PHE A 29 -1.343 -3.668 7.586 1.00 0.00 O ATOM 467 CB PHE A 29 -0.069 -5.634 5.364 1.00 0.00 C ATOM 468 CG PHE A 29 0.672 -6.838 4.856 1.00 0.00 C ATOM 469 CD1 PHE A 29 0.422 -8.095 5.383 1.00 0.00 C ATOM 470 CD2 PHE A 29 1.618 -6.713 3.852 1.00 0.00 C ATOM 471 CE1 PHE A 29 1.102 -9.205 4.917 1.00 0.00 C ATOM 472 CE2 PHE A 29 2.301 -7.820 3.382 1.00 0.00 C ATOM 473 CZ PHE A 29 2.043 -9.067 3.916 1.00 0.00 C ATOM 0 H PHE A 29 -1.336 -6.452 7.521 1.00 0.00 H new ATOM 0 HA PHE A 29 1.338 -5.327 6.960 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.141 -5.812 5.274 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.167 -4.778 4.731 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.312 -8.209 6.167 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.825 -5.740 3.431 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.897 -10.179 5.336 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.035 -7.709 2.598 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.576 -9.933 3.551 1.00 0.00 H new ATOM 483 N ALA A 30 0.649 -2.893 6.886 1.00 0.00 N ATOM 484 CA ALA A 30 0.318 -1.496 7.140 1.00 0.00 C ATOM 485 C ALA A 30 1.091 -0.570 6.207 1.00 0.00 C ATOM 486 O ALA A 30 2.318 -0.641 6.121 1.00 0.00 O ATOM 487 CB ALA A 30 0.602 -1.143 8.592 1.00 0.00 C ATOM 0 H ALA A 30 1.586 -3.043 6.512 1.00 0.00 H new ATOM 0 HA ALA A 30 -0.746 -1.359 6.945 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.350 -0.097 8.768 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.000 -1.776 9.245 1.00 0.00 H new ATOM 0 HB3 ALA A 30 1.659 -1.303 8.805 1.00 0.00 H new ATOM 493 N LEU A 31 0.367 0.298 5.510 1.00 0.00 N ATOM 494 CA LEU A 31 0.985 1.239 4.582 1.00 0.00 C ATOM 495 C LEU A 31 1.282 2.567 5.270 1.00 0.00 C ATOM 496 O LEU A 31 0.435 3.113 5.978 1.00 0.00 O ATOM 497 CB LEU A 31 0.073 1.469 3.375 1.00 0.00 C ATOM 498 CG LEU A 31 0.552 2.507 2.360 1.00 0.00 C ATOM 499 CD1 LEU A 31 1.766 1.992 1.602 1.00 0.00 C ATOM 500 CD2 LEU A 31 -0.568 2.867 1.395 1.00 0.00 C ATOM 0 H LEU A 31 -0.649 0.370 5.570 1.00 0.00 H new ATOM 0 HA LEU A 31 1.927 0.809 4.241 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.059 0.518 2.858 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.909 1.772 3.739 1.00 0.00 H new ATOM 0 HG LEU A 31 0.842 3.408 2.901 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.093 2.744 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.573 1.786 2.305 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.503 1.076 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.208 3.607 0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.890 1.973 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.409 3.279 1.952 1.00 0.00 H new ATOM 512 N TRP A 32 2.487 3.082 5.056 1.00 0.00 N ATOM 513 CA TRP A 32 2.894 4.348 5.654 1.00 0.00 C ATOM 514 C TRP A 32 2.830 5.479 4.633 1.00 0.00 C ATOM 515 O TRP A 32 3.083 5.271 3.446 1.00 0.00 O ATOM 516 CB TRP A 32 4.311 4.236 6.221 1.00 0.00 C ATOM 517 CG TRP A 32 4.446 3.182 7.278 1.00 0.00 C ATOM 518 CD1 TRP A 32 5.228 2.064 7.225 1.00 0.00 C ATOM 519 CD2 TRP A 32 3.778 3.148 8.544 1.00 0.00 C ATOM 520 NE1 TRP A 32 5.086 1.336 8.382 1.00 0.00 N ATOM 521 CE2 TRP A 32 4.203 1.980 9.207 1.00 0.00 C ATOM 522 CE3 TRP A 32 2.865 3.991 9.183 1.00 0.00 C ATOM 523 CZ2 TRP A 32 3.744 1.636 10.476 1.00 0.00 C ATOM 524 CZ3 TRP A 32 2.410 3.648 10.442 1.00 0.00 C ATOM 525 CH2 TRP A 32 2.850 2.479 11.078 1.00 0.00 C ATOM 0 H TRP A 32 3.199 2.643 4.473 1.00 0.00 H new ATOM 0 HA TRP A 32 2.202 4.576 6.465 1.00 0.00 H new ATOM 0 HB2 TRP A 32 5.004 4.016 5.408 1.00 0.00 H new ATOM 0 HB3 TRP A 32 4.605 5.199 6.639 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.864 1.792 6.396 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.561 0.458 8.592 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.521 4.894 8.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 4.082 0.736 10.968 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.703 4.292 10.945 1.00 0.00 H new ATOM 0 HH2 TRP A 32 2.476 2.239 12.062 1.00 0.00 H new ATOM 536 N LEU A 33 2.491 6.675 5.101 1.00 0.00 N ATOM 537 CA LEU A 33 2.394 7.839 4.228 1.00 0.00 C ATOM 538 C LEU A 33 3.692 8.049 3.454 1.00 0.00 C ATOM 539 O LEU A 33 3.684 8.571 2.339 1.00 0.00 O ATOM 540 CB LEU A 33 2.067 9.089 5.046 1.00 0.00 C ATOM 541 CG LEU A 33 0.688 9.117 5.707 1.00 0.00 C ATOM 542 CD1 LEU A 33 0.157 10.540 5.773 1.00 0.00 C ATOM 543 CD2 LEU A 33 -0.282 8.218 4.954 1.00 0.00 C ATOM 0 H LEU A 33 2.279 6.864 6.081 1.00 0.00 H new ATOM 0 HA LEU A 33 1.591 7.660 3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.823 9.198 5.824 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.153 9.958 4.394 1.00 0.00 H new ATOM 0 HG LEU A 33 0.786 8.740 6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.825 10.540 6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.841 11.157 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.074 10.944 4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.258 8.250 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.376 8.565 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.092 7.194 4.959 1.00 0.00 H new ATOM 555 N ASP A 34 4.804 7.638 4.053 1.00 0.00 N ATOM 556 CA ASP A 34 6.110 7.777 3.419 1.00 0.00 C ATOM 557 C ASP A 34 6.144 7.050 2.078 1.00 0.00 C ATOM 558 O ASP A 34 7.038 7.273 1.262 1.00 0.00 O ATOM 559 CB ASP A 34 7.207 7.233 4.336 1.00 0.00 C ATOM 560 CG ASP A 34 7.059 7.716 5.765 1.00 0.00 C ATOM 561 OD1 ASP A 34 6.373 7.033 6.554 1.00 0.00 O ATOM 562 OD2 ASP A 34 7.628 8.778 6.095 1.00 0.00 O ATOM 0 H ASP A 34 4.827 7.206 4.977 1.00 0.00 H new ATOM 0 HA ASP A 34 6.289 8.838 3.241 1.00 0.00 H new ATOM 0 HB2 ASP A 34 7.183 6.143 4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.181 7.536 3.952 1.00 0.00 H new ATOM 567 N GLY A 35 5.164 6.179 1.858 1.00 0.00 N ATOM 568 CA GLY A 35 5.101 5.432 0.615 1.00 0.00 C ATOM 569 C GLY A 35 5.815 4.097 0.705 1.00 0.00 C ATOM 570 O GLY A 35 6.465 3.667 -0.248 1.00 0.00 O ATOM 0 H GLY A 35 4.413 5.977 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.058 5.265 0.347 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.545 6.025 -0.185 1.00 0.00 H new ATOM 574 N THR A 36 5.695 3.440 1.854 1.00 0.00 N ATOM 575 CA THR A 36 6.336 2.148 2.066 1.00 0.00 C ATOM 576 C THR A 36 5.355 1.137 2.651 1.00 0.00 C ATOM 577 O THR A 36 4.314 1.509 3.194 1.00 0.00 O ATOM 578 CB THR A 36 7.550 2.271 3.005 1.00 0.00 C ATOM 579 OG1 THR A 36 7.232 3.127 4.108 1.00 0.00 O ATOM 580 CG2 THR A 36 8.757 2.822 2.260 1.00 0.00 C ATOM 0 H THR A 36 5.160 3.781 2.652 1.00 0.00 H new ATOM 0 HA THR A 36 6.675 1.799 1.090 1.00 0.00 H new ATOM 0 HB THR A 36 7.796 1.276 3.377 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.009 3.198 4.701 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.602 2.900 2.944 1.00 0.00 H new ATOM 0 HG22 THR A 36 9.015 2.153 1.439 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.520 3.809 1.862 1.00 0.00 H new ATOM 588 N LEU A 37 5.694 -0.142 2.537 1.00 0.00 N ATOM 589 CA LEU A 37 4.844 -1.208 3.056 1.00 0.00 C ATOM 590 C LEU A 37 5.607 -2.080 4.048 1.00 0.00 C ATOM 591 O LEU A 37 6.521 -2.811 3.671 1.00 0.00 O ATOM 592 CB LEU A 37 4.312 -2.067 1.908 1.00 0.00 C ATOM 593 CG LEU A 37 3.062 -2.893 2.211 1.00 0.00 C ATOM 594 CD1 LEU A 37 1.854 -1.987 2.390 1.00 0.00 C ATOM 595 CD2 LEU A 37 2.811 -3.907 1.104 1.00 0.00 C ATOM 0 H LEU A 37 6.551 -0.466 2.090 1.00 0.00 H new ATOM 0 HA LEU A 37 4.004 -0.748 3.577 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.095 -1.414 1.062 1.00 0.00 H new ATOM 0 HB3 LEU A 37 5.104 -2.746 1.592 1.00 0.00 H new ATOM 0 HG LEU A 37 3.225 -3.435 3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.974 -2.593 2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.033 -1.301 3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.688 -1.417 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.917 -4.486 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.669 -3.385 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.667 -4.577 1.024 1.00 0.00 H new ATOM 607 N GLY A 38 5.223 -1.997 5.318 1.00 0.00 N ATOM 608 CA GLY A 38 5.880 -2.785 6.344 1.00 0.00 C ATOM 609 C GLY A 38 4.908 -3.649 7.123 1.00 0.00 C ATOM 610 O GLY A 38 4.022 -3.137 7.808 1.00 0.00 O ATOM 0 H GLY A 38 4.469 -1.398 5.654 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.636 -3.420 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.401 -2.119 7.032 1.00 0.00 H new ATOM 614 N TYR A 39 5.072 -4.963 7.018 1.00 0.00 N ATOM 615 CA TYR A 39 4.199 -5.901 7.714 1.00 0.00 C ATOM 616 C TYR A 39 4.909 -6.516 8.917 1.00 0.00 C ATOM 617 O TYR A 39 6.076 -6.900 8.833 1.00 0.00 O ATOM 618 CB TYR A 39 3.737 -7.005 6.761 1.00 0.00 C ATOM 619 CG TYR A 39 4.868 -7.660 6.000 1.00 0.00 C ATOM 620 CD1 TYR A 39 5.598 -8.700 6.561 1.00 0.00 C ATOM 621 CD2 TYR A 39 5.205 -7.239 4.720 1.00 0.00 C ATOM 622 CE1 TYR A 39 6.632 -9.301 5.870 1.00 0.00 C ATOM 623 CE2 TYR A 39 6.236 -7.835 4.020 1.00 0.00 C ATOM 624 CZ TYR A 39 6.947 -8.865 4.600 1.00 0.00 C ATOM 625 OH TYR A 39 7.975 -9.462 3.907 1.00 0.00 O ATOM 0 H TYR A 39 5.802 -5.403 6.457 1.00 0.00 H new ATOM 0 HA TYR A 39 3.328 -5.351 8.071 1.00 0.00 H new ATOM 0 HB2 TYR A 39 3.205 -7.766 7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.026 -6.585 6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 39 5.353 -9.045 7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.651 -6.432 4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 39 7.191 -10.108 6.322 1.00 0.00 H new ATOM 0 HE2 TYR A 39 6.484 -7.497 3.025 1.00 0.00 H new ATOM 0 HH TYR A 39 8.066 -9.038 3.028 1.00 0.00 H new ATOM 635 N TYR A 40 4.196 -6.606 10.034 1.00 0.00 N ATOM 636 CA TYR A 40 4.757 -7.172 11.255 1.00 0.00 C ATOM 637 C TYR A 40 4.009 -8.438 11.662 1.00 0.00 C ATOM 638 O TYR A 40 3.016 -8.814 11.038 1.00 0.00 O ATOM 639 CB TYR A 40 4.703 -6.148 12.389 1.00 0.00 C ATOM 640 CG TYR A 40 5.225 -4.784 11.998 1.00 0.00 C ATOM 641 CD1 TYR A 40 4.598 -4.035 11.009 1.00 0.00 C ATOM 642 CD2 TYR A 40 6.346 -4.243 12.616 1.00 0.00 C ATOM 643 CE1 TYR A 40 5.072 -2.789 10.648 1.00 0.00 C ATOM 644 CE2 TYR A 40 6.826 -2.997 12.263 1.00 0.00 C ATOM 645 CZ TYR A 40 6.186 -2.274 11.278 1.00 0.00 C ATOM 646 OH TYR A 40 6.662 -1.033 10.922 1.00 0.00 O ATOM 0 H TYR A 40 3.229 -6.294 10.119 1.00 0.00 H new ATOM 0 HA TYR A 40 5.797 -7.433 11.060 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.672 -6.049 12.730 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.283 -6.522 13.233 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.725 -4.434 10.514 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.851 -4.807 13.386 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.573 -2.221 9.877 1.00 0.00 H new ATOM 0 HE2 TYR A 40 7.697 -2.591 12.755 1.00 0.00 H new ATOM 0 HH TYR A 40 7.451 -0.818 11.462 1.00 0.00 H new ATOM 656 N HIS A 41 4.492 -9.091 12.713 1.00 0.00 N ATOM 657 CA HIS A 41 3.870 -10.315 13.206 1.00 0.00 C ATOM 658 C HIS A 41 2.469 -10.034 13.741 1.00 0.00 C ATOM 659 O HIS A 41 1.510 -10.722 13.390 1.00 0.00 O ATOM 660 CB HIS A 41 4.730 -10.944 14.302 1.00 0.00 C ATOM 661 CG HIS A 41 3.945 -11.752 15.290 1.00 0.00 C ATOM 662 ND1 HIS A 41 2.925 -12.604 14.924 1.00 0.00 N ATOM 663 CD2 HIS A 41 4.037 -11.835 16.638 1.00 0.00 C ATOM 664 CE1 HIS A 41 2.423 -13.176 16.003 1.00 0.00 C ATOM 665 NE2 HIS A 41 3.080 -12.726 17.057 1.00 0.00 N ATOM 0 H HIS A 41 5.313 -8.793 13.240 1.00 0.00 H new ATOM 0 HA HIS A 41 3.789 -11.013 12.373 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.483 -11.582 13.840 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.263 -10.155 14.832 1.00 0.00 H new ATOM 0 HD1 HIS A 41 2.608 -12.767 13.968 1.00 0.00 H new ATOM 0 HD2 HIS A 41 4.733 -11.300 17.267 1.00 0.00 H new ATOM 0 HE1 HIS A 41 1.613 -13.890 16.021 1.00 0.00 H new ATOM 674 N ASP A 42 2.358 -9.020 14.592 1.00 0.00 N ATOM 675 CA ASP A 42 1.074 -8.648 15.175 1.00 0.00 C ATOM 676 C ASP A 42 0.995 -7.141 15.398 1.00 0.00 C ATOM 677 O ASP A 42 1.902 -6.400 15.021 1.00 0.00 O ATOM 678 CB ASP A 42 0.858 -9.384 16.498 1.00 0.00 C ATOM 679 CG ASP A 42 -0.610 -9.583 16.818 1.00 0.00 C ATOM 680 OD1 ASP A 42 -1.200 -10.561 16.312 1.00 0.00 O ATOM 681 OD2 ASP A 42 -1.171 -8.760 17.572 1.00 0.00 O ATOM 0 H ASP A 42 3.142 -8.441 14.894 1.00 0.00 H new ATOM 0 HA ASP A 42 0.288 -8.935 14.476 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.352 -10.355 16.455 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.329 -8.822 17.304 1.00 0.00 H new ATOM 686 N GLU A 43 -0.096 -6.695 16.013 1.00 0.00 N ATOM 687 CA GLU A 43 -0.293 -5.276 16.285 1.00 0.00 C ATOM 688 C GLU A 43 1.005 -4.626 16.753 1.00 0.00 C ATOM 689 O GLU A 43 1.319 -3.496 16.376 1.00 0.00 O ATOM 690 CB GLU A 43 -1.384 -5.083 17.341 1.00 0.00 C ATOM 691 CG GLU A 43 -2.052 -3.719 17.283 1.00 0.00 C ATOM 692 CD GLU A 43 -3.389 -3.695 17.998 1.00 0.00 C ATOM 693 OE1 GLU A 43 -4.360 -4.264 17.458 1.00 0.00 O ATOM 694 OE2 GLU A 43 -3.464 -3.106 19.097 1.00 0.00 O ATOM 0 H GLU A 43 -0.856 -7.295 16.332 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.606 -4.795 15.358 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.142 -5.855 17.213 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.949 -5.224 18.331 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.392 -2.976 17.730 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.196 -3.433 16.241 1.00 0.00 H new ATOM 701 N THR A 44 1.757 -5.347 17.579 1.00 0.00 N ATOM 702 CA THR A 44 3.020 -4.842 18.101 1.00 0.00 C ATOM 703 C THR A 44 4.067 -4.733 16.998 1.00 0.00 C ATOM 704 O THR A 44 4.655 -5.733 16.587 1.00 0.00 O ATOM 705 CB THR A 44 3.565 -5.744 19.224 1.00 0.00 C ATOM 706 OG1 THR A 44 3.562 -7.111 18.799 1.00 0.00 O ATOM 707 CG2 THR A 44 2.732 -5.598 20.488 1.00 0.00 C ATOM 0 H THR A 44 1.512 -6.283 17.901 1.00 0.00 H new ATOM 0 HA THR A 44 2.820 -3.850 18.507 1.00 0.00 H new ATOM 0 HB THR A 44 4.587 -5.435 19.444 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.956 -7.176 17.904 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.136 -6.245 21.267 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.761 -4.562 20.825 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.701 -5.883 20.279 1.00 0.00 H new ATOM 715 N ALA A 45 4.296 -3.513 16.524 1.00 0.00 N ATOM 716 CA ALA A 45 5.275 -3.275 15.470 1.00 0.00 C ATOM 717 C ALA A 45 6.694 -3.275 16.028 1.00 0.00 C ATOM 718 O ALA A 45 7.474 -2.362 15.763 1.00 0.00 O ATOM 719 CB ALA A 45 4.982 -1.957 14.767 1.00 0.00 C ATOM 0 H ALA A 45 3.817 -2.674 16.853 1.00 0.00 H new ATOM 0 HA ALA A 45 5.198 -4.086 14.746 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.720 -1.791 13.982 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.986 -1.993 14.326 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.030 -1.141 15.488 1.00 0.00 H new ATOM 725 N GLN A 46 7.019 -4.305 16.803 1.00 0.00 N ATOM 726 CA GLN A 46 8.345 -4.422 17.399 1.00 0.00 C ATOM 727 C GLN A 46 9.165 -5.499 16.696 1.00 0.00 C ATOM 728 O GLN A 46 10.395 -5.452 16.693 1.00 0.00 O ATOM 729 CB GLN A 46 8.229 -4.744 18.890 1.00 0.00 C ATOM 730 CG GLN A 46 7.544 -6.071 19.175 1.00 0.00 C ATOM 731 CD GLN A 46 7.788 -6.563 20.588 1.00 0.00 C ATOM 732 OE1 GLN A 46 8.815 -7.180 20.874 1.00 0.00 O ATOM 733 NE2 GLN A 46 6.844 -6.292 21.481 1.00 0.00 N ATOM 0 H GLN A 46 6.384 -5.069 17.033 1.00 0.00 H new ATOM 0 HA GLN A 46 8.856 -3.467 17.279 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.227 -4.758 19.329 1.00 0.00 H new ATOM 0 HB3 GLN A 46 7.675 -3.945 19.384 1.00 0.00 H new ATOM 0 HG2 GLN A 46 6.472 -5.964 19.012 1.00 0.00 H new ATOM 0 HG3 GLN A 46 7.901 -6.819 18.467 1.00 0.00 H new ATOM 0 HE21 GLN A 46 6.009 -5.778 21.200 1.00 0.00 H new ATOM 0 HE22 GLN A 46 6.954 -6.598 22.448 1.00 0.00 H new ATOM 742 N ASP A 47 8.476 -6.467 16.103 1.00 0.00 N ATOM 743 CA ASP A 47 9.141 -7.555 15.396 1.00 0.00 C ATOM 744 C ASP A 47 9.107 -7.324 13.888 1.00 0.00 C ATOM 745 O ASP A 47 8.797 -8.233 13.119 1.00 0.00 O ATOM 746 CB ASP A 47 8.478 -8.891 15.734 1.00 0.00 C ATOM 747 CG ASP A 47 9.041 -9.514 16.997 1.00 0.00 C ATOM 748 OD1 ASP A 47 10.282 -9.557 17.134 1.00 0.00 O ATOM 749 OD2 ASP A 47 8.242 -9.958 17.847 1.00 0.00 O ATOM 0 H ASP A 47 7.457 -6.521 16.098 1.00 0.00 H new ATOM 0 HA ASP A 47 10.182 -7.582 15.718 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.405 -8.741 15.854 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.612 -9.581 14.901 1.00 0.00 H new ATOM 754 N GLU A 48 9.428 -6.102 13.474 1.00 0.00 N ATOM 755 CA GLU A 48 9.433 -5.752 12.059 1.00 0.00 C ATOM 756 C GLU A 48 9.878 -6.938 11.207 1.00 0.00 C ATOM 757 O GLU A 48 11.029 -7.368 11.279 1.00 0.00 O ATOM 758 CB GLU A 48 10.353 -4.556 11.809 1.00 0.00 C ATOM 759 CG GLU A 48 10.287 -4.023 10.388 1.00 0.00 C ATOM 760 CD GLU A 48 11.061 -2.731 10.213 1.00 0.00 C ATOM 761 OE1 GLU A 48 12.305 -2.767 10.312 1.00 0.00 O ATOM 762 OE2 GLU A 48 10.423 -1.684 9.977 1.00 0.00 O ATOM 0 H GLU A 48 9.688 -5.338 14.098 1.00 0.00 H new ATOM 0 HA GLU A 48 8.416 -5.483 11.774 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.090 -3.756 12.501 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.380 -4.846 12.032 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.682 -4.774 9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.245 -3.858 10.114 1.00 0.00 H new ATOM 769 N GLU A 49 8.958 -7.459 10.402 1.00 0.00 N ATOM 770 CA GLU A 49 9.256 -8.595 9.537 1.00 0.00 C ATOM 771 C GLU A 49 10.041 -8.151 8.306 1.00 0.00 C ATOM 772 O GLU A 49 11.113 -8.683 8.016 1.00 0.00 O ATOM 773 CB GLU A 49 7.962 -9.291 9.108 1.00 0.00 C ATOM 774 CG GLU A 49 8.126 -10.781 8.858 1.00 0.00 C ATOM 775 CD GLU A 49 7.882 -11.611 10.104 1.00 0.00 C ATOM 776 OE1 GLU A 49 8.742 -11.586 11.009 1.00 0.00 O ATOM 777 OE2 GLU A 49 6.833 -12.284 10.173 1.00 0.00 O ATOM 0 H GLU A 49 8.001 -7.113 10.330 1.00 0.00 H new ATOM 0 HA GLU A 49 9.868 -9.298 10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.206 -9.142 9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.589 -8.818 8.200 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.433 -11.093 8.076 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.133 -10.975 8.488 1.00 0.00 H new ATOM 784 N ASP A 50 9.499 -7.175 7.587 1.00 0.00 N ATOM 785 CA ASP A 50 10.148 -6.658 6.388 1.00 0.00 C ATOM 786 C ASP A 50 9.521 -5.335 5.958 1.00 0.00 C ATOM 787 O ASP A 50 8.600 -4.834 6.604 1.00 0.00 O ATOM 788 CB ASP A 50 10.050 -7.676 5.251 1.00 0.00 C ATOM 789 CG ASP A 50 11.181 -7.537 4.251 1.00 0.00 C ATOM 790 OD1 ASP A 50 12.350 -7.466 4.685 1.00 0.00 O ATOM 791 OD2 ASP A 50 10.898 -7.500 3.035 1.00 0.00 O ATOM 0 H ASP A 50 8.612 -6.726 7.813 1.00 0.00 H new ATOM 0 HA ASP A 50 11.199 -6.483 6.620 1.00 0.00 H new ATOM 0 HB2 ASP A 50 10.059 -8.683 5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.097 -7.552 4.737 1.00 0.00 H new ATOM 796 N ARG A 51 10.027 -4.774 4.865 1.00 0.00 N ATOM 797 CA ARG A 51 9.519 -3.508 4.351 1.00 0.00 C ATOM 798 C ARG A 51 9.808 -3.372 2.859 1.00 0.00 C ATOM 799 O ARG A 51 10.944 -3.545 2.417 1.00 0.00 O ATOM 800 CB ARG A 51 10.143 -2.336 5.111 1.00 0.00 C ATOM 801 CG ARG A 51 9.376 -1.033 4.959 1.00 0.00 C ATOM 802 CD ARG A 51 9.991 0.077 5.796 1.00 0.00 C ATOM 803 NE ARG A 51 11.112 0.719 5.116 1.00 0.00 N ATOM 804 CZ ARG A 51 11.878 1.648 5.677 1.00 0.00 C ATOM 805 NH1 ARG A 51 11.645 2.041 6.922 1.00 0.00 N ATOM 806 NH2 ARG A 51 12.881 2.185 4.993 1.00 0.00 N ATOM 0 H ARG A 51 10.788 -5.176 4.318 1.00 0.00 H new ATOM 0 HA ARG A 51 8.439 -3.493 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 51 10.203 -2.591 6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.165 -2.189 4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.366 -0.736 3.910 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.339 -1.183 5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.230 0.823 6.024 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.331 -0.332 6.747 1.00 0.00 H new ATOM 0 HE ARG A 51 11.318 0.439 4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.876 1.630 7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.235 2.755 7.350 1.00 0.00 H new ATOM 0 HH21 ARG A 51 13.064 1.884 4.036 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.469 2.898 5.425 1.00 0.00 H new ATOM 820 N VAL A 52 8.771 -3.061 2.086 1.00 0.00 N ATOM 821 CA VAL A 52 8.913 -2.902 0.644 1.00 0.00 C ATOM 822 C VAL A 52 8.376 -1.551 0.185 1.00 0.00 C ATOM 823 O VAL A 52 7.260 -1.164 0.532 1.00 0.00 O ATOM 824 CB VAL A 52 8.179 -4.020 -0.119 1.00 0.00 C ATOM 825 CG1 VAL A 52 8.792 -5.375 0.200 1.00 0.00 C ATOM 826 CG2 VAL A 52 6.695 -4.005 0.212 1.00 0.00 C ATOM 0 H VAL A 52 7.824 -2.914 2.435 1.00 0.00 H new ATOM 0 HA VAL A 52 9.979 -2.961 0.422 1.00 0.00 H new ATOM 0 HB VAL A 52 8.291 -3.841 -1.188 1.00 0.00 H new ATOM 0 HG11 VAL A 52 8.260 -6.153 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.842 -5.377 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.714 -5.567 1.270 1.00 0.00 H new ATOM 0 HG21 VAL A 52 6.192 -4.802 -0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 52 6.559 -4.159 1.282 1.00 0.00 H new ATOM 0 HG23 VAL A 52 6.268 -3.043 -0.073 1.00 0.00 H new ATOM 836 N VAL A 53 9.178 -0.836 -0.598 1.00 0.00 N ATOM 837 CA VAL A 53 8.783 0.472 -1.107 1.00 0.00 C ATOM 838 C VAL A 53 7.492 0.381 -1.913 1.00 0.00 C ATOM 839 O VAL A 53 7.309 -0.541 -2.709 1.00 0.00 O ATOM 840 CB VAL A 53 9.885 1.087 -1.990 1.00 0.00 C ATOM 841 CG1 VAL A 53 9.466 2.463 -2.485 1.00 0.00 C ATOM 842 CG2 VAL A 53 11.198 1.163 -1.226 1.00 0.00 C ATOM 0 H VAL A 53 10.105 -1.141 -0.894 1.00 0.00 H new ATOM 0 HA VAL A 53 8.622 1.114 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 53 10.033 0.445 -2.858 1.00 0.00 H new ATOM 0 HG11 VAL A 53 10.257 2.882 -3.107 1.00 0.00 H new ATOM 0 HG12 VAL A 53 8.551 2.376 -3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 53 9.290 3.118 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 53 11.966 1.600 -1.865 1.00 0.00 H new ATOM 0 HG22 VAL A 53 11.068 1.783 -0.339 1.00 0.00 H new ATOM 0 HG23 VAL A 53 11.503 0.160 -0.926 1.00 0.00 H new ATOM 852 N ILE A 54 6.600 1.343 -1.702 1.00 0.00 N ATOM 853 CA ILE A 54 5.327 1.372 -2.411 1.00 0.00 C ATOM 854 C ILE A 54 5.302 2.488 -3.450 1.00 0.00 C ATOM 855 O ILE A 54 4.832 2.296 -4.572 1.00 0.00 O ATOM 856 CB ILE A 54 4.147 1.564 -1.441 1.00 0.00 C ATOM 857 CG1 ILE A 54 3.922 0.292 -0.619 1.00 0.00 C ATOM 858 CG2 ILE A 54 2.886 1.936 -2.206 1.00 0.00 C ATOM 859 CD1 ILE A 54 3.313 -0.841 -1.415 1.00 0.00 C ATOM 0 H ILE A 54 6.735 2.112 -1.046 1.00 0.00 H new ATOM 0 HA ILE A 54 5.223 0.409 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 54 4.387 2.379 -0.758 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.875 -0.037 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.271 0.524 0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.061 2.068 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.052 2.865 -2.751 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.640 1.141 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.182 -1.710 -0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.344 -0.531 -1.807 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.973 -1.100 -2.243 1.00 0.00 H new ATOM 871 N HIS A 55 5.812 3.655 -3.070 1.00 0.00 N ATOM 872 CA HIS A 55 5.851 4.802 -3.971 1.00 0.00 C ATOM 873 C HIS A 55 6.472 4.420 -5.311 1.00 0.00 C ATOM 874 O HIS A 55 7.605 3.943 -5.368 1.00 0.00 O ATOM 875 CB HIS A 55 6.641 5.948 -3.337 1.00 0.00 C ATOM 876 CG HIS A 55 6.420 7.269 -4.007 1.00 0.00 C ATOM 877 ND1 HIS A 55 7.435 8.173 -4.241 1.00 0.00 N ATOM 878 CD2 HIS A 55 5.293 7.837 -4.495 1.00 0.00 C ATOM 879 CE1 HIS A 55 6.941 9.240 -4.842 1.00 0.00 C ATOM 880 NE2 HIS A 55 5.643 9.062 -5.008 1.00 0.00 N ATOM 0 H HIS A 55 6.204 3.832 -2.145 1.00 0.00 H new ATOM 0 HA HIS A 55 4.826 5.130 -4.146 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.364 6.032 -2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.704 5.707 -3.368 1.00 0.00 H new ATOM 0 HD1 HIS A 55 8.414 8.038 -3.989 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.302 7.407 -4.483 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.503 10.111 -5.146 1.00 0.00 H new ATOM 889 N PHE A 56 5.721 4.633 -6.387 1.00 0.00 N ATOM 890 CA PHE A 56 6.197 4.309 -7.727 1.00 0.00 C ATOM 891 C PHE A 56 7.025 3.027 -7.715 1.00 0.00 C ATOM 892 O PHE A 56 7.994 2.895 -8.462 1.00 0.00 O ATOM 893 CB PHE A 56 7.031 5.463 -8.287 1.00 0.00 C ATOM 894 CG PHE A 56 6.223 6.690 -8.602 1.00 0.00 C ATOM 895 CD1 PHE A 56 5.512 6.781 -9.788 1.00 0.00 C ATOM 896 CD2 PHE A 56 6.174 7.750 -7.712 1.00 0.00 C ATOM 897 CE1 PHE A 56 4.768 7.909 -10.080 1.00 0.00 C ATOM 898 CE2 PHE A 56 5.431 8.880 -7.998 1.00 0.00 C ATOM 899 CZ PHE A 56 4.727 8.959 -9.183 1.00 0.00 C ATOM 0 H PHE A 56 4.781 5.028 -6.357 1.00 0.00 H new ATOM 0 HA PHE A 56 5.328 4.153 -8.367 1.00 0.00 H new ATOM 0 HB2 PHE A 56 7.806 5.723 -7.566 1.00 0.00 H new ATOM 0 HB3 PHE A 56 7.537 5.129 -9.193 1.00 0.00 H new ATOM 0 HD1 PHE A 56 5.539 5.962 -10.492 1.00 0.00 H new ATOM 0 HD2 PHE A 56 6.723 7.693 -6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.219 7.969 -11.008 1.00 0.00 H new ATOM 0 HE2 PHE A 56 5.401 9.700 -7.296 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.145 9.840 -9.408 1.00 0.00 H new ATOM 909 N ASN A 57 6.635 2.086 -6.861 1.00 0.00 N ATOM 910 CA ASN A 57 7.341 0.815 -6.751 1.00 0.00 C ATOM 911 C ASN A 57 6.480 -0.332 -7.269 1.00 0.00 C ATOM 912 O ASN A 57 6.993 -1.319 -7.798 1.00 0.00 O ATOM 913 CB ASN A 57 7.739 0.553 -5.297 1.00 0.00 C ATOM 914 CG ASN A 57 8.995 -0.287 -5.183 1.00 0.00 C ATOM 915 OD1 ASN A 57 10.044 0.068 -5.721 1.00 0.00 O ATOM 916 ND2 ASN A 57 8.895 -1.410 -4.480 1.00 0.00 N ATOM 0 H ASN A 57 5.835 2.180 -6.236 1.00 0.00 H new ATOM 0 HA ASN A 57 8.242 0.874 -7.362 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.895 1.505 -4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.920 0.048 -4.785 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.708 -2.016 -4.369 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.006 -1.666 -4.051 1.00 0.00 H new ATOM 923 N VAL A 58 5.167 -0.196 -7.114 1.00 0.00 N ATOM 924 CA VAL A 58 4.233 -1.220 -7.567 1.00 0.00 C ATOM 925 C VAL A 58 4.204 -1.302 -9.089 1.00 0.00 C ATOM 926 O VAL A 58 3.671 -0.417 -9.758 1.00 0.00 O ATOM 927 CB VAL A 58 2.808 -0.948 -7.051 1.00 0.00 C ATOM 928 CG1 VAL A 58 1.840 -1.997 -7.578 1.00 0.00 C ATOM 929 CG2 VAL A 58 2.790 -0.910 -5.530 1.00 0.00 C ATOM 0 H VAL A 58 4.726 0.614 -6.678 1.00 0.00 H new ATOM 0 HA VAL A 58 4.583 -2.169 -7.161 1.00 0.00 H new ATOM 0 HB VAL A 58 2.487 0.026 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.838 -1.789 -7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.832 -1.970 -8.668 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.155 -2.985 -7.241 1.00 0.00 H new ATOM 0 HG21 VAL A 58 1.775 -0.717 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.131 -1.868 -5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.451 -0.118 -5.178 1.00 0.00 H new ATOM 939 N ARG A 59 4.780 -2.371 -9.630 1.00 0.00 N ATOM 940 CA ARG A 59 4.821 -2.569 -11.073 1.00 0.00 C ATOM 941 C ARG A 59 3.490 -3.112 -11.585 1.00 0.00 C ATOM 942 O ARG A 59 3.012 -2.712 -12.647 1.00 0.00 O ATOM 943 CB ARG A 59 5.952 -3.528 -11.446 1.00 0.00 C ATOM 944 CG ARG A 59 6.032 -3.827 -12.935 1.00 0.00 C ATOM 945 CD ARG A 59 7.460 -4.112 -13.370 1.00 0.00 C ATOM 946 NE ARG A 59 7.553 -4.379 -14.803 1.00 0.00 N ATOM 947 CZ ARG A 59 7.282 -5.558 -15.350 1.00 0.00 C ATOM 948 NH1 ARG A 59 6.902 -6.575 -14.589 1.00 0.00 N ATOM 949 NH2 ARG A 59 7.389 -5.722 -16.663 1.00 0.00 N ATOM 0 H ARG A 59 5.225 -3.113 -9.090 1.00 0.00 H new ATOM 0 HA ARG A 59 5.004 -1.602 -11.542 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.900 -3.103 -11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.818 -4.463 -10.903 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.401 -4.684 -13.169 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.641 -2.980 -13.499 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.092 -3.261 -13.118 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.843 -4.969 -12.816 1.00 0.00 H new ATOM 0 HE ARG A 59 7.842 -3.618 -15.417 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.817 -6.453 -13.580 1.00 0.00 H new ATOM 0 HH12 ARG A 59 6.695 -7.479 -15.013 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.680 -4.942 -17.252 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.181 -6.628 -17.082 1.00 0.00 H new ATOM 963 N ASP A 60 2.897 -4.025 -10.824 1.00 0.00 N ATOM 964 CA ASP A 60 1.621 -4.622 -11.200 1.00 0.00 C ATOM 965 C ASP A 60 0.909 -5.196 -9.979 1.00 0.00 C ATOM 966 O ASP A 60 1.502 -5.331 -8.909 1.00 0.00 O ATOM 967 CB ASP A 60 1.835 -5.719 -12.244 1.00 0.00 C ATOM 968 CG ASP A 60 0.529 -6.274 -12.777 1.00 0.00 C ATOM 969 OD1 ASP A 60 -0.342 -5.469 -13.170 1.00 0.00 O ATOM 970 OD2 ASP A 60 0.378 -7.513 -12.803 1.00 0.00 O ATOM 0 H ASP A 60 3.280 -4.368 -9.943 1.00 0.00 H new ATOM 0 HA ASP A 60 0.994 -3.840 -11.629 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.421 -5.319 -13.072 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.417 -6.528 -11.803 1.00 0.00 H new ATOM 975 N ILE A 61 -0.366 -5.532 -10.147 1.00 0.00 N ATOM 976 CA ILE A 61 -1.158 -6.091 -9.059 1.00 0.00 C ATOM 977 C ILE A 61 -2.248 -7.016 -9.591 1.00 0.00 C ATOM 978 O ILE A 61 -3.159 -6.579 -10.296 1.00 0.00 O ATOM 979 CB ILE A 61 -1.810 -4.984 -8.210 1.00 0.00 C ATOM 980 CG1 ILE A 61 -0.736 -4.082 -7.597 1.00 0.00 C ATOM 981 CG2 ILE A 61 -2.681 -5.594 -7.122 1.00 0.00 C ATOM 982 CD1 ILE A 61 -1.297 -2.977 -6.731 1.00 0.00 C ATOM 0 H ILE A 61 -0.872 -5.427 -11.026 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.473 -6.662 -8.432 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.443 -4.376 -8.857 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.058 -4.692 -7.000 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.144 -3.640 -8.398 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.135 -4.799 -6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -3.464 -6.198 -7.579 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.069 -6.223 -6.476 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.479 -2.378 -6.330 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -1.952 -2.343 -7.329 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.865 -3.412 -5.909 1.00 0.00 H new ATOM 994 N LYS A 62 -2.150 -8.296 -9.249 1.00 0.00 N ATOM 995 CA LYS A 62 -3.128 -9.283 -9.688 1.00 0.00 C ATOM 996 C LYS A 62 -4.085 -9.642 -8.556 1.00 0.00 C ATOM 997 O LYS A 62 -3.676 -9.778 -7.403 1.00 0.00 O ATOM 998 CB LYS A 62 -2.420 -10.544 -10.191 1.00 0.00 C ATOM 999 CG LYS A 62 -1.508 -10.296 -11.380 1.00 0.00 C ATOM 1000 CD LYS A 62 -0.468 -11.394 -11.523 1.00 0.00 C ATOM 1001 CE LYS A 62 0.261 -11.302 -12.855 1.00 0.00 C ATOM 1002 NZ LYS A 62 1.162 -12.466 -13.076 1.00 0.00 N ATOM 0 H LYS A 62 -1.402 -8.674 -8.668 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.705 -8.848 -10.504 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -1.834 -10.971 -9.377 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -3.169 -11.286 -10.467 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -2.104 -10.237 -12.291 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.009 -9.334 -11.263 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.252 -11.323 -10.708 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.951 -12.367 -11.438 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -0.467 -11.248 -13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.843 -10.381 -12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.640 -12.366 -13.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.873 -12.504 -12.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.603 -13.343 -13.071 1.00 0.00 H new ATOM 1016 N VAL A 63 -5.362 -9.796 -8.893 1.00 0.00 N ATOM 1017 CA VAL A 63 -6.377 -10.142 -7.906 1.00 0.00 C ATOM 1018 C VAL A 63 -7.372 -11.151 -8.470 1.00 0.00 C ATOM 1019 O VAL A 63 -7.904 -10.968 -9.564 1.00 0.00 O ATOM 1020 CB VAL A 63 -7.143 -8.895 -7.427 1.00 0.00 C ATOM 1021 CG1 VAL A 63 -8.161 -9.269 -6.361 1.00 0.00 C ATOM 1022 CG2 VAL A 63 -6.175 -7.843 -6.906 1.00 0.00 C ATOM 0 H VAL A 63 -5.718 -9.686 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.855 -10.586 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.681 -8.473 -8.276 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.692 -8.375 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.873 -9.984 -6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.648 -9.717 -5.510 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.733 -6.969 -6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.608 -8.253 -6.070 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.490 -7.553 -7.702 1.00 0.00 H new ATOM 1032 N GLY A 64 -7.619 -12.216 -7.714 1.00 0.00 N ATOM 1033 CA GLY A 64 -8.550 -13.239 -8.155 1.00 0.00 C ATOM 1034 C GLY A 64 -8.047 -13.996 -9.368 1.00 0.00 C ATOM 1035 O GLY A 64 -6.875 -14.363 -9.436 1.00 0.00 O ATOM 0 H GLY A 64 -7.191 -12.389 -6.804 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -8.727 -13.941 -7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -9.508 -12.777 -8.391 1.00 0.00 H new ATOM 1039 N GLN A 65 -8.937 -14.232 -10.327 1.00 0.00 N ATOM 1040 CA GLN A 65 -8.577 -14.953 -11.542 1.00 0.00 C ATOM 1041 C GLN A 65 -7.196 -14.533 -12.035 1.00 0.00 C ATOM 1042 O GLN A 65 -6.403 -15.367 -12.472 1.00 0.00 O ATOM 1043 CB GLN A 65 -9.618 -14.706 -12.635 1.00 0.00 C ATOM 1044 CG GLN A 65 -9.654 -15.791 -13.698 1.00 0.00 C ATOM 1045 CD GLN A 65 -8.393 -15.826 -14.539 1.00 0.00 C ATOM 1046 OE1 GLN A 65 -7.522 -16.673 -14.338 1.00 0.00 O ATOM 1047 NE2 GLN A 65 -8.290 -14.904 -15.489 1.00 0.00 N ATOM 0 H GLN A 65 -9.912 -13.935 -10.286 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.552 -16.017 -11.308 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -10.603 -14.627 -12.175 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.411 -13.748 -13.112 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.793 -16.760 -13.218 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.515 -15.630 -14.347 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -9.036 -14.221 -15.620 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.465 -14.878 -16.088 1.00 0.00 H new ATOM 1056 N GLU A 66 -6.915 -13.236 -11.961 1.00 0.00 N ATOM 1057 CA GLU A 66 -5.630 -12.707 -12.401 1.00 0.00 C ATOM 1058 C GLU A 66 -4.494 -13.654 -12.025 1.00 0.00 C ATOM 1059 O GLU A 66 -3.704 -14.063 -12.877 1.00 0.00 O ATOM 1060 CB GLU A 66 -5.384 -11.327 -11.787 1.00 0.00 C ATOM 1061 CG GLU A 66 -6.387 -10.276 -12.230 1.00 0.00 C ATOM 1062 CD GLU A 66 -6.805 -10.442 -13.678 1.00 0.00 C ATOM 1063 OE1 GLU A 66 -6.024 -10.050 -14.570 1.00 0.00 O ATOM 1064 OE2 GLU A 66 -7.914 -10.963 -13.919 1.00 0.00 O ATOM 0 H GLU A 66 -7.560 -12.533 -11.601 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.657 -12.614 -13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -5.415 -11.411 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.381 -10.994 -12.053 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.270 -10.330 -11.593 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.954 -9.285 -12.092 1.00 0.00 H new ATOM 1071 N CYS A 67 -4.418 -13.997 -10.744 1.00 0.00 N ATOM 1072 CA CYS A 67 -3.379 -14.894 -10.253 1.00 0.00 C ATOM 1073 C CYS A 67 -3.273 -16.137 -11.131 1.00 0.00 C ATOM 1074 O CYS A 67 -4.252 -16.557 -11.747 1.00 0.00 O ATOM 1075 CB CYS A 67 -3.667 -15.300 -8.807 1.00 0.00 C ATOM 1076 SG CYS A 67 -2.971 -14.178 -7.572 1.00 0.00 S ATOM 0 H CYS A 67 -5.064 -13.667 -10.027 1.00 0.00 H new ATOM 0 HA CYS A 67 -2.428 -14.362 -10.291 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -4.746 -15.355 -8.665 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -3.271 -16.301 -8.636 1.00 0.00 H new ATOM 0 HG CYS A 67 -2.889 -14.789 -6.428 1.00 0.00 H new ATOM 1082 N GLN A 68 -2.079 -16.718 -11.184 1.00 0.00 N ATOM 1083 CA GLN A 68 -1.846 -17.911 -11.989 1.00 0.00 C ATOM 1084 C GLN A 68 -0.840 -18.837 -11.313 1.00 0.00 C ATOM 1085 O GLN A 68 0.169 -18.383 -10.772 1.00 0.00 O ATOM 1086 CB GLN A 68 -1.345 -17.523 -13.381 1.00 0.00 C ATOM 1087 CG GLN A 68 -2.430 -16.961 -14.284 1.00 0.00 C ATOM 1088 CD GLN A 68 -3.207 -18.043 -15.007 1.00 0.00 C ATOM 1089 OE1 GLN A 68 -3.735 -18.965 -14.384 1.00 0.00 O ATOM 1090 NE2 GLN A 68 -3.282 -17.937 -16.328 1.00 0.00 N ATOM 0 H GLN A 68 -1.259 -16.382 -10.679 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.792 -18.443 -12.086 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -0.550 -16.784 -13.279 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.906 -18.400 -13.857 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -3.118 -16.361 -13.688 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.977 -16.293 -15.017 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -2.829 -17.156 -16.804 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -3.792 -18.636 -16.868 1.00 0.00 H new ATOM 1099 N ASP A 69 -1.122 -20.134 -11.346 1.00 0.00 N ATOM 1100 CA ASP A 69 -0.241 -21.124 -10.737 1.00 0.00 C ATOM 1101 C ASP A 69 -0.135 -20.904 -9.231 1.00 0.00 C ATOM 1102 O ASP A 69 0.958 -20.919 -8.666 1.00 0.00 O ATOM 1103 CB ASP A 69 1.149 -21.061 -11.373 1.00 0.00 C ATOM 1104 CG ASP A 69 1.214 -21.799 -12.696 1.00 0.00 C ATOM 1105 OD1 ASP A 69 1.241 -23.047 -12.678 1.00 0.00 O ATOM 1106 OD2 ASP A 69 1.240 -21.128 -13.749 1.00 0.00 O ATOM 0 H ASP A 69 -1.954 -20.525 -11.788 1.00 0.00 H new ATOM 0 HA ASP A 69 -0.668 -22.111 -10.913 1.00 0.00 H new ATOM 0 HB2 ASP A 69 1.428 -20.019 -11.528 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.880 -21.488 -10.686 1.00 0.00 H new ATOM 1111 N VAL A 70 -1.280 -20.699 -8.587 1.00 0.00 N ATOM 1112 CA VAL A 70 -1.316 -20.475 -7.146 1.00 0.00 C ATOM 1113 C VAL A 70 -2.514 -21.173 -6.512 1.00 0.00 C ATOM 1114 O VAL A 70 -3.630 -21.103 -7.028 1.00 0.00 O ATOM 1115 CB VAL A 70 -1.376 -18.973 -6.813 1.00 0.00 C ATOM 1116 CG1 VAL A 70 -2.693 -18.374 -7.281 1.00 0.00 C ATOM 1117 CG2 VAL A 70 -1.180 -18.751 -5.321 1.00 0.00 C ATOM 0 H VAL A 70 -2.194 -20.683 -9.040 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.396 -20.894 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.567 -18.468 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.717 -17.312 -7.037 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.787 -18.501 -8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.520 -18.879 -6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.225 -17.684 -5.103 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.966 -19.268 -4.770 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.208 -19.142 -5.020 1.00 0.00 H new ATOM 1127 N GLN A 71 -2.275 -21.846 -5.392 1.00 0.00 N ATOM 1128 CA GLN A 71 -3.335 -22.558 -4.687 1.00 0.00 C ATOM 1129 C GLN A 71 -3.804 -21.769 -3.469 1.00 0.00 C ATOM 1130 O GLN A 71 -3.024 -21.436 -2.576 1.00 0.00 O ATOM 1131 CB GLN A 71 -2.850 -23.943 -4.256 1.00 0.00 C ATOM 1132 CG GLN A 71 -3.893 -24.743 -3.493 1.00 0.00 C ATOM 1133 CD GLN A 71 -5.125 -25.038 -4.325 1.00 0.00 C ATOM 1134 OE1 GLN A 71 -5.025 -25.399 -5.499 1.00 0.00 O ATOM 1135 NE2 GLN A 71 -6.298 -24.887 -3.721 1.00 0.00 N ATOM 0 H GLN A 71 -1.357 -21.914 -4.953 1.00 0.00 H new ATOM 0 HA GLN A 71 -4.177 -22.672 -5.370 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.549 -24.505 -5.140 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -1.963 -23.830 -3.633 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -3.452 -25.682 -3.158 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -4.186 -24.192 -2.599 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.335 -24.586 -2.747 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.162 -25.072 -4.231 1.00 0.00 H new ATOM 1144 N PRO A 72 -5.109 -21.460 -3.429 1.00 0.00 N ATOM 1145 CA PRO A 72 -5.711 -20.707 -2.326 1.00 0.00 C ATOM 1146 C PRO A 72 -5.762 -21.514 -1.033 1.00 0.00 C ATOM 1147 O PRO A 72 -5.807 -22.744 -1.042 1.00 0.00 O ATOM 1148 CB PRO A 72 -7.126 -20.412 -2.828 1.00 0.00 C ATOM 1149 CG PRO A 72 -7.413 -21.495 -3.810 1.00 0.00 C ATOM 1150 CD PRO A 72 -6.097 -21.824 -4.459 1.00 0.00 C ATOM 0 HA PRO A 72 -5.136 -19.814 -2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.846 -20.419 -2.010 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.183 -19.429 -3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.833 -22.370 -3.314 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.142 -21.167 -4.551 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.032 -22.879 -4.723 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -5.948 -21.256 -5.377 1.00 0.00 H new ATOM 1158 N PRO A 73 -5.754 -20.807 0.107 1.00 0.00 N ATOM 1159 CA PRO A 73 -5.801 -21.437 1.430 1.00 0.00 C ATOM 1160 C PRO A 73 -7.154 -22.077 1.720 1.00 0.00 C ATOM 1161 O PRO A 73 -8.194 -21.563 1.310 1.00 0.00 O ATOM 1162 CB PRO A 73 -5.544 -20.272 2.388 1.00 0.00 C ATOM 1163 CG PRO A 73 -5.993 -19.063 1.642 1.00 0.00 C ATOM 1164 CD PRO A 73 -5.701 -19.338 0.193 1.00 0.00 C ATOM 0 HA PRO A 73 -5.078 -22.248 1.520 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.101 -20.393 3.317 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -4.489 -20.204 2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.056 -18.881 1.798 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.464 -18.174 1.985 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.437 -18.870 -0.461 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -4.724 -18.953 -0.100 1.00 0.00 H new ATOM 1172 N GLU A 74 -7.132 -23.201 2.430 1.00 0.00 N ATOM 1173 CA GLU A 74 -8.359 -23.910 2.774 1.00 0.00 C ATOM 1174 C GLU A 74 -9.344 -22.983 3.479 1.00 0.00 C ATOM 1175 O GLU A 74 -8.966 -22.211 4.359 1.00 0.00 O ATOM 1176 CB GLU A 74 -8.045 -25.113 3.667 1.00 0.00 C ATOM 1177 CG GLU A 74 -9.239 -26.022 3.904 1.00 0.00 C ATOM 1178 CD GLU A 74 -10.167 -25.498 4.983 1.00 0.00 C ATOM 1179 OE1 GLU A 74 -9.664 -25.067 6.041 1.00 0.00 O ATOM 1180 OE2 GLU A 74 -11.397 -25.519 4.768 1.00 0.00 O ATOM 0 H GLU A 74 -6.279 -23.639 2.778 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.817 -24.262 1.849 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -7.242 -25.693 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.675 -24.755 4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.796 -26.134 2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.885 -27.014 4.185 1.00 0.00 H new ATOM 1187 N GLY A 75 -10.611 -23.064 3.084 1.00 0.00 N ATOM 1188 CA GLY A 75 -11.632 -22.227 3.687 1.00 0.00 C ATOM 1189 C GLY A 75 -11.882 -20.958 2.897 1.00 0.00 C ATOM 1190 O GLY A 75 -13.003 -20.704 2.456 1.00 0.00 O ATOM 0 H GLY A 75 -10.949 -23.695 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -12.561 -22.792 3.765 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -11.331 -21.966 4.702 1.00 0.00 H new ATOM 1194 N ARG A 76 -10.836 -20.158 2.718 1.00 0.00 N ATOM 1195 CA ARG A 76 -10.948 -18.907 1.978 1.00 0.00 C ATOM 1196 C ARG A 76 -11.523 -19.149 0.586 1.00 0.00 C ATOM 1197 O ARG A 76 -11.945 -20.259 0.262 1.00 0.00 O ATOM 1198 CB ARG A 76 -9.580 -18.231 1.866 1.00 0.00 C ATOM 1199 CG ARG A 76 -8.848 -18.116 3.193 1.00 0.00 C ATOM 1200 CD ARG A 76 -9.792 -17.722 4.318 1.00 0.00 C ATOM 1201 NE ARG A 76 -10.367 -18.887 4.984 1.00 0.00 N ATOM 1202 CZ ARG A 76 -11.360 -18.816 5.863 1.00 0.00 C ATOM 1203 NH1 ARG A 76 -11.886 -17.641 6.181 1.00 0.00 N ATOM 1204 NH2 ARG A 76 -11.830 -19.922 6.426 1.00 0.00 N ATOM 0 H ARG A 76 -9.901 -20.354 3.076 1.00 0.00 H new ATOM 0 HA ARG A 76 -11.626 -18.251 2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -8.962 -18.794 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -9.710 -17.234 1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -8.373 -19.068 3.432 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -8.053 -17.376 3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -9.254 -17.117 5.047 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -10.594 -17.101 3.918 1.00 0.00 H new ATOM 0 HE ARG A 76 -9.985 -19.806 4.762 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -11.528 -16.789 5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -12.649 -17.590 6.856 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -11.429 -20.828 6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -12.593 -19.866 7.101 1.00 0.00 H new ATOM 1218 N SER A 77 -11.537 -18.102 -0.233 1.00 0.00 N ATOM 1219 CA SER A 77 -12.065 -18.200 -1.589 1.00 0.00 C ATOM 1220 C SER A 77 -11.028 -17.738 -2.610 1.00 0.00 C ATOM 1221 O SER A 77 -10.014 -17.139 -2.253 1.00 0.00 O ATOM 1222 CB SER A 77 -13.338 -17.363 -1.725 1.00 0.00 C ATOM 1223 OG SER A 77 -13.271 -16.197 -0.923 1.00 0.00 O ATOM 0 H SER A 77 -11.189 -17.177 0.019 1.00 0.00 H new ATOM 0 HA SER A 77 -12.303 -19.245 -1.785 1.00 0.00 H new ATOM 0 HB2 SER A 77 -13.483 -17.082 -2.768 1.00 0.00 H new ATOM 0 HB3 SER A 77 -14.202 -17.960 -1.433 1.00 0.00 H new ATOM 0 HG SER A 77 -14.096 -15.679 -1.029 1.00 0.00 H new ATOM 1229 N ARG A 78 -11.292 -18.022 -3.881 1.00 0.00 N ATOM 1230 CA ARG A 78 -10.382 -17.638 -4.954 1.00 0.00 C ATOM 1231 C ARG A 78 -10.492 -16.145 -5.251 1.00 0.00 C ATOM 1232 O ARG A 78 -9.635 -15.571 -5.923 1.00 0.00 O ATOM 1233 CB ARG A 78 -10.682 -18.444 -6.219 1.00 0.00 C ATOM 1234 CG ARG A 78 -10.065 -19.833 -6.216 1.00 0.00 C ATOM 1235 CD ARG A 78 -10.086 -20.455 -7.603 1.00 0.00 C ATOM 1236 NE ARG A 78 -11.448 -20.687 -8.078 1.00 0.00 N ATOM 1237 CZ ARG A 78 -11.732 -21.281 -9.232 1.00 0.00 C ATOM 1238 NH1 ARG A 78 -10.755 -21.701 -10.024 1.00 0.00 N ATOM 1239 NH2 ARG A 78 -12.997 -21.456 -9.595 1.00 0.00 N ATOM 0 H ARG A 78 -12.128 -18.516 -4.193 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.364 -17.852 -4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.762 -18.536 -6.334 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.315 -17.894 -7.086 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -9.037 -19.775 -5.858 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.609 -20.473 -5.521 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.565 -19.801 -8.302 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -9.542 -21.400 -7.585 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.223 -20.376 -7.492 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.782 -21.568 -9.748 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.976 -22.157 -10.909 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -13.751 -21.134 -8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -13.215 -21.912 -10.481 1.00 0.00 H new ATOM 1253 N ASP A 79 -11.552 -15.523 -4.747 1.00 0.00 N ATOM 1254 CA ASP A 79 -11.775 -14.097 -4.958 1.00 0.00 C ATOM 1255 C ASP A 79 -10.951 -13.268 -3.977 1.00 0.00 C ATOM 1256 O ASP A 79 -11.136 -12.057 -3.864 1.00 0.00 O ATOM 1257 CB ASP A 79 -13.259 -13.763 -4.806 1.00 0.00 C ATOM 1258 CG ASP A 79 -14.158 -14.879 -5.302 1.00 0.00 C ATOM 1259 OD1 ASP A 79 -13.968 -15.326 -6.452 1.00 0.00 O ATOM 1260 OD2 ASP A 79 -15.051 -15.305 -4.539 1.00 0.00 O ATOM 0 H ASP A 79 -12.271 -15.984 -4.189 1.00 0.00 H new ATOM 0 HA ASP A 79 -11.458 -13.850 -5.971 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.478 -13.563 -3.757 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -13.481 -12.849 -5.357 1.00 0.00 H new ATOM 1265 N GLY A 80 -10.040 -13.930 -3.269 1.00 0.00 N ATOM 1266 CA GLY A 80 -9.203 -13.238 -2.307 1.00 0.00 C ATOM 1267 C GLY A 80 -7.770 -13.097 -2.781 1.00 0.00 C ATOM 1268 O GLY A 80 -7.056 -12.185 -2.362 1.00 0.00 O ATOM 0 H GLY A 80 -9.867 -14.932 -3.345 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.618 -12.249 -2.115 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.218 -13.779 -1.361 1.00 0.00 H new ATOM 1272 N LEU A 81 -7.347 -14.001 -3.658 1.00 0.00 N ATOM 1273 CA LEU A 81 -5.988 -13.974 -4.189 1.00 0.00 C ATOM 1274 C LEU A 81 -5.568 -12.550 -4.537 1.00 0.00 C ATOM 1275 O LEU A 81 -6.302 -11.820 -5.205 1.00 0.00 O ATOM 1276 CB LEU A 81 -5.886 -14.866 -5.427 1.00 0.00 C ATOM 1277 CG LEU A 81 -5.503 -16.324 -5.175 1.00 0.00 C ATOM 1278 CD1 LEU A 81 -6.239 -16.867 -3.960 1.00 0.00 C ATOM 1279 CD2 LEU A 81 -5.797 -17.174 -6.402 1.00 0.00 C ATOM 0 H LEU A 81 -7.925 -14.761 -4.016 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.315 -14.353 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.846 -14.848 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.151 -14.430 -6.104 1.00 0.00 H new ATOM 0 HG LEU A 81 -4.432 -16.368 -4.976 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.954 -17.906 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.978 -16.276 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.314 -16.808 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.518 -18.209 -6.203 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.861 -17.123 -6.633 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.223 -16.800 -7.250 1.00 0.00 H new ATOM 1291 N LEU A 82 -4.382 -12.161 -4.084 1.00 0.00 N ATOM 1292 CA LEU A 82 -3.861 -10.824 -4.350 1.00 0.00 C ATOM 1293 C LEU A 82 -2.336 -10.822 -4.344 1.00 0.00 C ATOM 1294 O LEU A 82 -1.707 -11.191 -3.352 1.00 0.00 O ATOM 1295 CB LEU A 82 -4.387 -9.834 -3.308 1.00 0.00 C ATOM 1296 CG LEU A 82 -3.621 -8.517 -3.187 1.00 0.00 C ATOM 1297 CD1 LEU A 82 -4.116 -7.515 -4.219 1.00 0.00 C ATOM 1298 CD2 LEU A 82 -3.755 -7.949 -1.782 1.00 0.00 C ATOM 0 H LEU A 82 -3.762 -12.752 -3.530 1.00 0.00 H new ATOM 0 HA LEU A 82 -4.202 -10.518 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -5.426 -9.606 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.382 -10.325 -2.335 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.566 -8.713 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.559 -6.583 -4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.967 -7.920 -5.220 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.177 -7.323 -4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.203 -7.011 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.807 -7.768 -1.562 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.351 -8.660 -1.062 1.00 0.00 H new ATOM 1310 N THR A 83 -1.746 -10.402 -5.459 1.00 0.00 N ATOM 1311 CA THR A 83 -0.295 -10.351 -5.583 1.00 0.00 C ATOM 1312 C THR A 83 0.172 -8.962 -6.003 1.00 0.00 C ATOM 1313 O THR A 83 -0.399 -8.350 -6.906 1.00 0.00 O ATOM 1314 CB THR A 83 0.218 -11.384 -6.605 1.00 0.00 C ATOM 1315 OG1 THR A 83 -0.130 -12.706 -6.182 1.00 0.00 O ATOM 1316 CG2 THR A 83 1.727 -11.279 -6.768 1.00 0.00 C ATOM 0 H THR A 83 -2.251 -10.092 -6.289 1.00 0.00 H new ATOM 0 HA THR A 83 0.115 -10.588 -4.601 1.00 0.00 H new ATOM 0 HB THR A 83 -0.251 -11.176 -7.566 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.943 -12.995 -6.647 1.00 0.00 H new ATOM 0 HG21 THR A 83 2.067 -12.018 -7.494 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.986 -10.280 -7.118 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.210 -11.464 -5.809 1.00 0.00 H new ATOM 1324 N VAL A 84 1.216 -8.469 -5.344 1.00 0.00 N ATOM 1325 CA VAL A 84 1.761 -7.152 -5.650 1.00 0.00 C ATOM 1326 C VAL A 84 3.174 -7.260 -6.214 1.00 0.00 C ATOM 1327 O VAL A 84 4.041 -7.901 -5.624 1.00 0.00 O ATOM 1328 CB VAL A 84 1.787 -6.251 -4.402 1.00 0.00 C ATOM 1329 CG1 VAL A 84 2.406 -4.901 -4.730 1.00 0.00 C ATOM 1330 CG2 VAL A 84 0.383 -6.080 -3.840 1.00 0.00 C ATOM 0 H VAL A 84 1.701 -8.962 -4.595 1.00 0.00 H new ATOM 0 HA VAL A 84 1.106 -6.705 -6.398 1.00 0.00 H new ATOM 0 HB VAL A 84 2.403 -6.731 -3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.416 -4.278 -3.836 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.427 -5.045 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 84 1.819 -4.411 -5.507 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.419 -5.440 -2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.257 -5.622 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.020 -7.055 -3.565 1.00 0.00 H new ATOM 1340 N ASN A 85 3.396 -6.628 -7.362 1.00 0.00 N ATOM 1341 CA ASN A 85 4.704 -6.652 -8.007 1.00 0.00 C ATOM 1342 C ASN A 85 5.529 -5.431 -7.611 1.00 0.00 C ATOM 1343 O ASN A 85 5.066 -4.295 -7.718 1.00 0.00 O ATOM 1344 CB ASN A 85 4.545 -6.703 -9.528 1.00 0.00 C ATOM 1345 CG ASN A 85 4.485 -8.123 -10.056 1.00 0.00 C ATOM 1346 OD1 ASN A 85 5.443 -8.617 -10.652 1.00 0.00 O ATOM 1347 ND2 ASN A 85 3.356 -8.788 -9.839 1.00 0.00 N ATOM 0 H ASN A 85 2.688 -6.093 -7.865 1.00 0.00 H new ATOM 0 HA ASN A 85 5.229 -7.547 -7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 85 3.636 -6.174 -9.813 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.379 -6.179 -9.995 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.257 -9.747 -10.171 1.00 0.00 H new ATOM 0 HD22 ASN A 85 2.588 -8.339 -9.340 1.00 0.00 H new ATOM 1354 N LEU A 86 6.753 -5.674 -7.155 1.00 0.00 N ATOM 1355 CA LEU A 86 7.644 -4.594 -6.744 1.00 0.00 C ATOM 1356 C LEU A 86 8.719 -4.345 -7.797 1.00 0.00 C ATOM 1357 O LEU A 86 9.141 -5.265 -8.497 1.00 0.00 O ATOM 1358 CB LEU A 86 8.296 -4.929 -5.401 1.00 0.00 C ATOM 1359 CG LEU A 86 7.340 -5.238 -4.249 1.00 0.00 C ATOM 1360 CD1 LEU A 86 8.106 -5.775 -3.049 1.00 0.00 C ATOM 1361 CD2 LEU A 86 6.547 -3.998 -3.866 1.00 0.00 C ATOM 0 H LEU A 86 7.151 -6.608 -7.061 1.00 0.00 H new ATOM 0 HA LEU A 86 7.050 -3.686 -6.636 1.00 0.00 H new ATOM 0 HB2 LEU A 86 8.952 -5.788 -5.543 1.00 0.00 H new ATOM 0 HB3 LEU A 86 8.928 -4.091 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 86 6.639 -6.005 -4.580 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.409 -5.989 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.628 -6.690 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.830 -5.031 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.872 -4.237 -3.044 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.232 -3.210 -3.555 1.00 0.00 H new ATOM 0 HD23 LEU A 86 5.968 -3.657 -4.724 1.00 0.00 H new ATOM 1373 N ARG A 87 9.159 -3.095 -7.901 1.00 0.00 N ATOM 1374 CA ARG A 87 10.186 -2.725 -8.867 1.00 0.00 C ATOM 1375 C ARG A 87 11.508 -3.415 -8.547 1.00 0.00 C ATOM 1376 O ARG A 87 12.146 -3.993 -9.426 1.00 0.00 O ATOM 1377 CB ARG A 87 10.380 -1.207 -8.881 1.00 0.00 C ATOM 1378 CG ARG A 87 9.485 -0.487 -9.876 1.00 0.00 C ATOM 1379 CD ARG A 87 10.129 0.796 -10.377 1.00 0.00 C ATOM 1380 NE ARG A 87 9.270 1.508 -11.320 1.00 0.00 N ATOM 1381 CZ ARG A 87 9.608 2.652 -11.903 1.00 0.00 C ATOM 1382 NH1 ARG A 87 10.782 3.211 -11.643 1.00 0.00 N ATOM 1383 NH2 ARG A 87 8.772 3.239 -12.750 1.00 0.00 N ATOM 0 H ARG A 87 8.820 -2.322 -7.328 1.00 0.00 H new ATOM 0 HA ARG A 87 9.856 -3.051 -9.853 1.00 0.00 H new ATOM 0 HB2 ARG A 87 10.187 -0.815 -7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.421 -0.985 -9.115 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.275 -1.144 -10.720 1.00 0.00 H new ATOM 0 HG3 ARG A 87 8.529 -0.256 -9.406 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.352 1.444 -9.530 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.079 0.561 -10.858 1.00 0.00 H new ATOM 0 HE ARG A 87 8.360 1.104 -11.543 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.428 2.762 -10.994 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.039 4.090 -12.092 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.869 2.811 -12.954 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.033 4.118 -13.197 1.00 0.00 H new ATOM 1397 N GLU A 88 11.913 -3.349 -7.282 1.00 0.00 N ATOM 1398 CA GLU A 88 13.160 -3.967 -6.847 1.00 0.00 C ATOM 1399 C GLU A 88 13.383 -5.300 -7.554 1.00 0.00 C ATOM 1400 O GLU A 88 14.491 -5.607 -7.990 1.00 0.00 O ATOM 1401 CB GLU A 88 13.150 -4.176 -5.332 1.00 0.00 C ATOM 1402 CG GLU A 88 12.048 -5.106 -4.853 1.00 0.00 C ATOM 1403 CD GLU A 88 12.118 -5.375 -3.362 1.00 0.00 C ATOM 1404 OE1 GLU A 88 11.870 -4.436 -2.578 1.00 0.00 O ATOM 1405 OE2 GLU A 88 12.420 -6.525 -2.981 1.00 0.00 O ATOM 0 H GLU A 88 11.396 -2.874 -6.542 1.00 0.00 H new ATOM 0 HA GLU A 88 13.978 -3.296 -7.109 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.114 -4.580 -5.023 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.037 -3.209 -4.841 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.079 -4.669 -5.094 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.115 -6.051 -5.392 1.00 0.00 H new ATOM 1412 N GLY A 89 12.318 -6.090 -7.663 1.00 0.00 N ATOM 1413 CA GLY A 89 12.418 -7.382 -8.317 1.00 0.00 C ATOM 1414 C GLY A 89 11.957 -8.519 -7.427 1.00 0.00 C ATOM 1415 O GLY A 89 12.685 -9.491 -7.222 1.00 0.00 O ATOM 0 H GLY A 89 11.389 -5.858 -7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.819 -7.372 -9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.452 -7.555 -8.617 1.00 0.00 H new ATOM 1419 N SER A 90 10.745 -8.398 -6.895 1.00 0.00 N ATOM 1420 CA SER A 90 10.190 -9.422 -6.017 1.00 0.00 C ATOM 1421 C SER A 90 8.678 -9.264 -5.886 1.00 0.00 C ATOM 1422 O SER A 90 8.182 -8.186 -5.558 1.00 0.00 O ATOM 1423 CB SER A 90 10.843 -9.348 -4.636 1.00 0.00 C ATOM 1424 OG SER A 90 12.256 -9.376 -4.738 1.00 0.00 O ATOM 0 H SER A 90 10.129 -7.601 -7.056 1.00 0.00 H new ATOM 0 HA SER A 90 10.399 -10.396 -6.458 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.530 -8.434 -4.131 1.00 0.00 H new ATOM 0 HB3 SER A 90 10.503 -10.183 -4.024 1.00 0.00 H new ATOM 0 HG SER A 90 12.514 -9.780 -5.593 1.00 0.00 H new ATOM 1430 N ARG A 91 7.951 -10.346 -6.145 1.00 0.00 N ATOM 1431 CA ARG A 91 6.496 -10.328 -6.058 1.00 0.00 C ATOM 1432 C ARG A 91 6.031 -10.700 -4.653 1.00 0.00 C ATOM 1433 O ARG A 91 6.717 -11.427 -3.932 1.00 0.00 O ATOM 1434 CB ARG A 91 5.891 -11.293 -7.079 1.00 0.00 C ATOM 1435 CG ARG A 91 6.324 -12.737 -6.884 1.00 0.00 C ATOM 1436 CD ARG A 91 6.005 -13.584 -8.106 1.00 0.00 C ATOM 1437 NE ARG A 91 6.724 -14.855 -8.093 1.00 0.00 N ATOM 1438 CZ ARG A 91 8.042 -14.956 -8.229 1.00 0.00 C ATOM 1439 NH1 ARG A 91 8.780 -13.866 -8.385 1.00 0.00 N ATOM 1440 NH2 ARG A 91 8.623 -16.148 -8.207 1.00 0.00 N ATOM 0 H ARG A 91 8.346 -11.246 -6.417 1.00 0.00 H new ATOM 0 HA ARG A 91 6.156 -9.316 -6.279 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.804 -11.237 -7.019 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.172 -10.971 -8.082 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.395 -12.773 -6.684 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.823 -13.154 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.932 -13.774 -8.145 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.264 -13.030 -9.009 1.00 0.00 H new ATOM 0 HE ARG A 91 6.185 -15.712 -7.973 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.336 -12.948 -8.401 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.792 -13.946 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.058 -16.989 -8.086 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.635 -16.224 -8.312 1.00 0.00 H new ATOM 1454 N LEU A 92 4.864 -10.196 -4.269 1.00 0.00 N ATOM 1455 CA LEU A 92 4.307 -10.475 -2.950 1.00 0.00 C ATOM 1456 C LEU A 92 3.007 -11.266 -3.063 1.00 0.00 C ATOM 1457 O LEU A 92 1.953 -10.708 -3.368 1.00 0.00 O ATOM 1458 CB LEU A 92 4.057 -9.169 -2.193 1.00 0.00 C ATOM 1459 CG LEU A 92 5.225 -8.643 -1.358 1.00 0.00 C ATOM 1460 CD1 LEU A 92 5.061 -7.156 -1.087 1.00 0.00 C ATOM 1461 CD2 LEU A 92 5.338 -9.416 -0.052 1.00 0.00 C ATOM 0 H LEU A 92 4.285 -9.592 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 92 5.030 -11.076 -2.398 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.778 -8.402 -2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.201 -9.313 -1.534 1.00 0.00 H new ATOM 0 HG LEU A 92 6.145 -8.789 -1.924 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.902 -6.800 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.031 -6.615 -2.033 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.132 -6.986 -0.542 1.00 0.00 H new ATOM 0 HD21 LEU A 92 6.175 -9.028 0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.416 -9.303 0.519 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.504 -10.472 -0.267 1.00 0.00 H new ATOM 1473 N HIS A 93 3.090 -12.569 -2.814 1.00 0.00 N ATOM 1474 CA HIS A 93 1.920 -13.437 -2.885 1.00 0.00 C ATOM 1475 C HIS A 93 1.061 -13.295 -1.633 1.00 0.00 C ATOM 1476 O HIS A 93 1.412 -13.802 -0.566 1.00 0.00 O ATOM 1477 CB HIS A 93 2.350 -14.894 -3.061 1.00 0.00 C ATOM 1478 CG HIS A 93 2.590 -15.280 -4.488 1.00 0.00 C ATOM 1479 ND1 HIS A 93 3.819 -15.166 -5.102 1.00 0.00 N ATOM 1480 CD2 HIS A 93 1.749 -15.784 -5.422 1.00 0.00 C ATOM 1481 CE1 HIS A 93 3.724 -15.580 -6.353 1.00 0.00 C ATOM 1482 NE2 HIS A 93 2.478 -15.961 -6.572 1.00 0.00 N ATOM 0 H HIS A 93 3.955 -13.047 -2.561 1.00 0.00 H new ATOM 0 HA HIS A 93 1.326 -13.135 -3.747 1.00 0.00 H new ATOM 0 HB2 HIS A 93 3.261 -15.067 -2.488 1.00 0.00 H new ATOM 0 HB3 HIS A 93 1.582 -15.544 -2.642 1.00 0.00 H new ATOM 0 HD2 HIS A 93 0.701 -16.005 -5.287 1.00 0.00 H new ATOM 0 HE1 HIS A 93 4.528 -15.603 -7.074 1.00 0.00 H new ATOM 0 HE2 HIS A 93 2.116 -16.327 -7.453 1.00 0.00 H new ATOM 1491 N LEU A 94 -0.064 -12.603 -1.769 1.00 0.00 N ATOM 1492 CA LEU A 94 -0.974 -12.393 -0.647 1.00 0.00 C ATOM 1493 C LEU A 94 -2.395 -12.808 -1.014 1.00 0.00 C ATOM 1494 O LEU A 94 -2.703 -13.038 -2.184 1.00 0.00 O ATOM 1495 CB LEU A 94 -0.954 -10.925 -0.217 1.00 0.00 C ATOM 1496 CG LEU A 94 0.404 -10.371 0.216 1.00 0.00 C ATOM 1497 CD1 LEU A 94 0.342 -8.858 0.359 1.00 0.00 C ATOM 1498 CD2 LEU A 94 0.852 -11.015 1.519 1.00 0.00 C ATOM 0 H LEU A 94 -0.369 -12.177 -2.644 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.637 -13.013 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.324 -10.320 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.655 -10.799 0.608 1.00 0.00 H new ATOM 0 HG LEU A 94 1.136 -10.612 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 94 1.317 -8.481 0.668 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.067 -8.413 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.403 -8.594 1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.820 -10.609 1.812 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.120 -10.806 2.299 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.938 -12.093 1.382 1.00 0.00 H new ATOM 1510 N CYS A 95 -3.257 -12.899 -0.008 1.00 0.00 N ATOM 1511 CA CYS A 95 -4.647 -13.285 -0.225 1.00 0.00 C ATOM 1512 C CYS A 95 -5.553 -12.676 0.841 1.00 0.00 C ATOM 1513 O CYS A 95 -5.200 -12.635 2.019 1.00 0.00 O ATOM 1514 CB CYS A 95 -4.782 -14.808 -0.217 1.00 0.00 C ATOM 1515 SG CYS A 95 -6.491 -15.398 -0.259 1.00 0.00 S ATOM 0 H CYS A 95 -3.018 -12.711 0.966 1.00 0.00 H new ATOM 0 HA CYS A 95 -4.956 -12.905 -1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.248 -15.214 -1.076 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.295 -15.200 0.676 1.00 0.00 H new ATOM 0 HG CYS A 95 -7.232 -14.634 0.487 1.00 0.00 H new ATOM 1521 N ALA A 96 -6.720 -12.203 0.418 1.00 0.00 N ATOM 1522 CA ALA A 96 -7.677 -11.597 1.336 1.00 0.00 C ATOM 1523 C ALA A 96 -8.829 -12.550 1.637 1.00 0.00 C ATOM 1524 O ALA A 96 -8.913 -13.636 1.065 1.00 0.00 O ATOM 1525 CB ALA A 96 -8.206 -10.292 0.760 1.00 0.00 C ATOM 0 H ALA A 96 -7.026 -12.228 -0.555 1.00 0.00 H new ATOM 0 HA ALA A 96 -7.161 -11.386 2.273 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -8.920 -9.850 1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.377 -9.601 0.603 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -8.701 -10.488 -0.191 1.00 0.00 H new ATOM 1531 N GLU A 97 -9.713 -12.135 2.539 1.00 0.00 N ATOM 1532 CA GLU A 97 -10.859 -12.954 2.916 1.00 0.00 C ATOM 1533 C GLU A 97 -11.971 -12.845 1.877 1.00 0.00 C ATOM 1534 O GLU A 97 -12.553 -13.850 1.465 1.00 0.00 O ATOM 1535 CB GLU A 97 -11.386 -12.532 4.289 1.00 0.00 C ATOM 1536 CG GLU A 97 -10.351 -12.639 5.397 1.00 0.00 C ATOM 1537 CD GLU A 97 -10.665 -11.740 6.577 1.00 0.00 C ATOM 1538 OE1 GLU A 97 -10.573 -10.504 6.422 1.00 0.00 O ATOM 1539 OE2 GLU A 97 -11.003 -12.271 7.655 1.00 0.00 O ATOM 0 H GLU A 97 -9.658 -11.238 3.021 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.531 -13.992 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.740 -11.503 4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.246 -13.151 4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -10.294 -13.673 5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -9.370 -12.380 4.999 1.00 0.00 H new ATOM 1546 N THR A 98 -12.263 -11.618 1.458 1.00 0.00 N ATOM 1547 CA THR A 98 -13.306 -11.376 0.469 1.00 0.00 C ATOM 1548 C THR A 98 -12.812 -10.449 -0.636 1.00 0.00 C ATOM 1549 O THR A 98 -11.777 -9.798 -0.496 1.00 0.00 O ATOM 1550 CB THR A 98 -14.562 -10.762 1.115 1.00 0.00 C ATOM 1551 OG1 THR A 98 -14.222 -9.544 1.787 1.00 0.00 O ATOM 1552 CG2 THR A 98 -15.192 -11.733 2.103 1.00 0.00 C ATOM 0 H THR A 98 -11.792 -10.776 1.788 1.00 0.00 H new ATOM 0 HA THR A 98 -13.564 -12.344 0.039 1.00 0.00 H new ATOM 0 HB THR A 98 -15.284 -10.552 0.326 1.00 0.00 H new ATOM 0 HG1 THR A 98 -15.026 -9.159 2.194 1.00 0.00 H new ATOM 0 HG21 THR A 98 -16.077 -11.277 2.547 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.476 -12.648 1.583 1.00 0.00 H new ATOM 0 HG23 THR A 98 -14.474 -11.970 2.888 1.00 0.00 H new ATOM 1560 N ARG A 99 -13.559 -10.394 -1.734 1.00 0.00 N ATOM 1561 CA ARG A 99 -13.196 -9.546 -2.863 1.00 0.00 C ATOM 1562 C ARG A 99 -13.031 -8.094 -2.422 1.00 0.00 C ATOM 1563 O ARG A 99 -12.081 -7.419 -2.818 1.00 0.00 O ATOM 1564 CB ARG A 99 -14.258 -9.638 -3.960 1.00 0.00 C ATOM 1565 CG ARG A 99 -15.645 -9.218 -3.502 1.00 0.00 C ATOM 1566 CD ARG A 99 -16.732 -9.957 -4.267 1.00 0.00 C ATOM 1567 NE ARG A 99 -16.817 -9.519 -5.658 1.00 0.00 N ATOM 1568 CZ ARG A 99 -17.375 -8.374 -6.034 1.00 0.00 C ATOM 1569 NH1 ARG A 99 -17.894 -7.556 -5.129 1.00 0.00 N ATOM 1570 NH2 ARG A 99 -17.414 -8.044 -7.319 1.00 0.00 N ATOM 0 H ARG A 99 -14.419 -10.926 -1.866 1.00 0.00 H new ATOM 0 HA ARG A 99 -12.243 -9.899 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -13.956 -9.011 -4.799 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -14.301 -10.663 -4.327 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -15.752 -9.414 -2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -15.766 -8.144 -3.642 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -16.533 -11.028 -4.236 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -17.693 -9.797 -3.777 1.00 0.00 H new ATOM 0 HE ARG A 99 -16.427 -10.125 -6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -17.866 -7.805 -4.140 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -18.322 -6.677 -5.421 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -17.015 -8.670 -8.019 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -17.843 -7.164 -7.607 1.00 0.00 H new ATOM 1584 N ASP A 100 -13.961 -7.622 -1.600 1.00 0.00 N ATOM 1585 CA ASP A 100 -13.919 -6.251 -1.104 1.00 0.00 C ATOM 1586 C ASP A 100 -12.527 -5.904 -0.584 1.00 0.00 C ATOM 1587 O ASP A 100 -11.843 -5.043 -1.137 1.00 0.00 O ATOM 1588 CB ASP A 100 -14.955 -6.054 0.003 1.00 0.00 C ATOM 1589 CG ASP A 100 -14.567 -4.952 0.970 1.00 0.00 C ATOM 1590 OD1 ASP A 100 -14.452 -3.789 0.530 1.00 0.00 O ATOM 1591 OD2 ASP A 100 -14.379 -5.253 2.167 1.00 0.00 O ATOM 0 H ASP A 100 -14.754 -8.168 -1.263 1.00 0.00 H new ATOM 0 HA ASP A 100 -14.154 -5.583 -1.933 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -15.920 -5.817 -0.445 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -15.078 -6.988 0.551 1.00 0.00 H new ATOM 1596 N ASP A 101 -12.115 -6.579 0.484 1.00 0.00 N ATOM 1597 CA ASP A 101 -10.806 -6.343 1.080 1.00 0.00 C ATOM 1598 C ASP A 101 -9.714 -6.349 0.013 1.00 0.00 C ATOM 1599 O ASP A 101 -8.900 -5.430 -0.061 1.00 0.00 O ATOM 1600 CB ASP A 101 -10.505 -7.403 2.140 1.00 0.00 C ATOM 1601 CG ASP A 101 -11.154 -7.087 3.474 1.00 0.00 C ATOM 1602 OD1 ASP A 101 -12.371 -7.328 3.614 1.00 0.00 O ATOM 1603 OD2 ASP A 101 -10.443 -6.600 4.378 1.00 0.00 O ATOM 0 H ASP A 101 -12.669 -7.294 0.954 1.00 0.00 H new ATOM 0 HA ASP A 101 -10.822 -5.361 1.554 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -10.856 -8.374 1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -9.426 -7.483 2.274 1.00 0.00 H new ATOM 1608 N ALA A 102 -9.704 -7.393 -0.809 1.00 0.00 N ATOM 1609 CA ALA A 102 -8.714 -7.519 -1.871 1.00 0.00 C ATOM 1610 C ALA A 102 -8.654 -6.252 -2.719 1.00 0.00 C ATOM 1611 O ALA A 102 -7.599 -5.633 -2.852 1.00 0.00 O ATOM 1612 CB ALA A 102 -9.026 -8.726 -2.744 1.00 0.00 C ATOM 0 H ALA A 102 -10.370 -8.164 -0.760 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.738 -7.662 -1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -8.278 -8.807 -3.533 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.010 -9.630 -2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.013 -8.607 -3.191 1.00 0.00 H new ATOM 1618 N ILE A 103 -9.793 -5.875 -3.290 1.00 0.00 N ATOM 1619 CA ILE A 103 -9.869 -4.682 -4.124 1.00 0.00 C ATOM 1620 C ILE A 103 -9.357 -3.455 -3.378 1.00 0.00 C ATOM 1621 O ILE A 103 -8.571 -2.673 -3.913 1.00 0.00 O ATOM 1622 CB ILE A 103 -11.311 -4.416 -4.597 1.00 0.00 C ATOM 1623 CG1 ILE A 103 -11.841 -5.615 -5.386 1.00 0.00 C ATOM 1624 CG2 ILE A 103 -11.367 -3.152 -5.442 1.00 0.00 C ATOM 1625 CD1 ILE A 103 -13.342 -5.780 -5.299 1.00 0.00 C ATOM 0 H ILE A 103 -10.675 -6.378 -3.191 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.238 -4.865 -4.993 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.944 -4.272 -3.722 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.556 -5.506 -6.432 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -11.362 -6.522 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -12.392 -2.978 -5.769 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.026 -2.303 -4.850 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.723 -3.268 -6.314 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -13.647 -6.649 -5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.633 -5.921 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.830 -4.889 -5.694 1.00 0.00 H new ATOM 1637 N ALA A 104 -9.806 -3.293 -2.137 1.00 0.00 N ATOM 1638 CA ALA A 104 -9.391 -2.164 -1.315 1.00 0.00 C ATOM 1639 C ALA A 104 -7.880 -1.968 -1.376 1.00 0.00 C ATOM 1640 O ALA A 104 -7.398 -0.876 -1.681 1.00 0.00 O ATOM 1641 CB ALA A 104 -9.841 -2.365 0.124 1.00 0.00 C ATOM 0 H ALA A 104 -10.458 -3.930 -1.679 1.00 0.00 H new ATOM 0 HA ALA A 104 -9.865 -1.265 -1.710 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -9.524 -1.514 0.727 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -10.927 -2.449 0.157 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -9.395 -3.277 0.521 1.00 0.00 H new ATOM 1647 N TRP A 105 -7.138 -3.029 -1.083 1.00 0.00 N ATOM 1648 CA TRP A 105 -5.680 -2.972 -1.104 1.00 0.00 C ATOM 1649 C TRP A 105 -5.171 -2.567 -2.483 1.00 0.00 C ATOM 1650 O TRP A 105 -4.278 -1.728 -2.604 1.00 0.00 O ATOM 1651 CB TRP A 105 -5.091 -4.327 -0.707 1.00 0.00 C ATOM 1652 CG TRP A 105 -4.938 -4.497 0.774 1.00 0.00 C ATOM 1653 CD1 TRP A 105 -5.566 -5.418 1.562 1.00 0.00 C ATOM 1654 CD2 TRP A 105 -4.104 -3.724 1.643 1.00 0.00 C ATOM 1655 NE1 TRP A 105 -5.173 -5.264 2.870 1.00 0.00 N ATOM 1656 CE2 TRP A 105 -4.276 -4.232 2.946 1.00 0.00 C ATOM 1657 CE3 TRP A 105 -3.227 -2.654 1.449 1.00 0.00 C ATOM 1658 CZ2 TRP A 105 -3.604 -3.704 4.045 1.00 0.00 C ATOM 1659 CZ3 TRP A 105 -2.561 -2.131 2.541 1.00 0.00 C ATOM 1660 CH2 TRP A 105 -2.752 -2.657 3.826 1.00 0.00 C ATOM 0 H TRP A 105 -7.521 -3.939 -0.828 1.00 0.00 H new ATOM 0 HA TRP A 105 -5.360 -2.219 -0.384 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -5.731 -5.120 -1.092 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.117 -4.445 -1.182 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.268 -6.159 1.209 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -5.497 -5.827 3.656 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -3.072 -2.243 0.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -3.750 -4.107 5.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -1.882 -1.303 2.402 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -2.216 -2.227 4.659 1.00 0.00 H new ATOM 1671 N LYS A 106 -5.744 -3.166 -3.521 1.00 0.00 N ATOM 1672 CA LYS A 106 -5.350 -2.866 -4.892 1.00 0.00 C ATOM 1673 C LYS A 106 -5.418 -1.367 -5.162 1.00 0.00 C ATOM 1674 O LYS A 106 -4.466 -0.773 -5.670 1.00 0.00 O ATOM 1675 CB LYS A 106 -6.250 -3.614 -5.878 1.00 0.00 C ATOM 1676 CG LYS A 106 -6.138 -3.110 -7.307 1.00 0.00 C ATOM 1677 CD LYS A 106 -6.671 -4.127 -8.301 1.00 0.00 C ATOM 1678 CE LYS A 106 -6.098 -3.902 -9.691 1.00 0.00 C ATOM 1679 NZ LYS A 106 -6.970 -4.479 -10.751 1.00 0.00 N ATOM 0 H LYS A 106 -6.484 -3.863 -3.439 1.00 0.00 H new ATOM 0 HA LYS A 106 -4.320 -3.195 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -5.998 -4.674 -5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -7.286 -3.525 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -6.691 -2.176 -7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -5.095 -2.889 -7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -6.422 -5.133 -7.962 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -7.758 -4.064 -8.340 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -5.975 -2.833 -9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.107 -4.351 -9.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.544 -4.305 -11.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.067 -5.504 -10.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -7.908 -4.033 -10.710 1.00 0.00 H new ATOM 1693 N THR A 107 -6.548 -0.758 -4.817 1.00 0.00 N ATOM 1694 CA THR A 107 -6.740 0.672 -5.022 1.00 0.00 C ATOM 1695 C THR A 107 -5.804 1.485 -4.134 1.00 0.00 C ATOM 1696 O THR A 107 -5.194 2.454 -4.583 1.00 0.00 O ATOM 1697 CB THR A 107 -8.194 1.091 -4.735 1.00 0.00 C ATOM 1698 OG1 THR A 107 -9.097 0.278 -5.493 1.00 0.00 O ATOM 1699 CG2 THR A 107 -8.413 2.556 -5.079 1.00 0.00 C ATOM 0 H THR A 107 -7.345 -1.234 -4.394 1.00 0.00 H new ATOM 0 HA THR A 107 -6.512 0.875 -6.068 1.00 0.00 H new ATOM 0 HB THR A 107 -8.385 0.951 -3.671 1.00 0.00 H new ATOM 0 HG1 THR A 107 -10.019 0.550 -5.304 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.447 2.829 -4.868 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.745 3.174 -4.479 1.00 0.00 H new ATOM 0 HG23 THR A 107 -8.204 2.717 -6.137 1.00 0.00 H new ATOM 1707 N ALA A 108 -5.696 1.083 -2.872 1.00 0.00 N ATOM 1708 CA ALA A 108 -4.832 1.773 -1.922 1.00 0.00 C ATOM 1709 C ALA A 108 -3.374 1.718 -2.366 1.00 0.00 C ATOM 1710 O ALA A 108 -2.585 2.610 -2.052 1.00 0.00 O ATOM 1711 CB ALA A 108 -4.987 1.169 -0.534 1.00 0.00 C ATOM 0 H ALA A 108 -6.196 0.283 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 108 -5.134 2.820 -1.887 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -4.336 1.693 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -6.023 1.266 -0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -4.713 0.114 -0.563 1.00 0.00 H new ATOM 1717 N LEU A 109 -3.022 0.666 -3.096 1.00 0.00 N ATOM 1718 CA LEU A 109 -1.658 0.494 -3.583 1.00 0.00 C ATOM 1719 C LEU A 109 -1.447 1.248 -4.892 1.00 0.00 C ATOM 1720 O LEU A 109 -0.509 2.034 -5.023 1.00 0.00 O ATOM 1721 CB LEU A 109 -1.349 -0.991 -3.782 1.00 0.00 C ATOM 1722 CG LEU A 109 -1.314 -1.845 -2.513 1.00 0.00 C ATOM 1723 CD1 LEU A 109 -1.454 -3.319 -2.859 1.00 0.00 C ATOM 1724 CD2 LEU A 109 -0.027 -1.596 -1.739 1.00 0.00 C ATOM 0 H LEU A 109 -3.662 -0.081 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 109 -0.978 0.903 -2.836 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -2.095 -1.410 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -0.384 -1.077 -4.281 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.155 -1.560 -1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.427 -3.912 -1.945 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.402 -3.484 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.633 -3.619 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -0.019 -2.211 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.829 -1.854 -2.363 1.00 0.00 H new ATOM 0 HD23 LEU A 109 0.032 -0.544 -1.460 1.00 0.00 H new ATOM 1736 N MET A 110 -2.328 1.006 -5.857 1.00 0.00 N ATOM 1737 CA MET A 110 -2.241 1.665 -7.154 1.00 0.00 C ATOM 1738 C MET A 110 -2.168 3.180 -6.991 1.00 0.00 C ATOM 1739 O MET A 110 -1.549 3.871 -7.799 1.00 0.00 O ATOM 1740 CB MET A 110 -3.444 1.291 -8.023 1.00 0.00 C ATOM 1741 CG MET A 110 -3.300 -0.055 -8.713 1.00 0.00 C ATOM 1742 SD MET A 110 -2.273 0.030 -10.193 1.00 0.00 S ATOM 1743 CE MET A 110 -0.903 -1.021 -9.716 1.00 0.00 C ATOM 0 H MET A 110 -3.110 0.358 -5.765 1.00 0.00 H new ATOM 0 HA MET A 110 -1.329 1.326 -7.645 1.00 0.00 H new ATOM 0 HB2 MET A 110 -4.340 1.278 -7.402 1.00 0.00 H new ATOM 0 HB3 MET A 110 -3.590 2.063 -8.778 1.00 0.00 H new ATOM 0 HG2 MET A 110 -2.867 -0.772 -8.016 1.00 0.00 H new ATOM 0 HG3 MET A 110 -4.288 -0.429 -8.982 1.00 0.00 H new ATOM 0 HE1 MET A 110 -0.075 -0.876 -10.410 1.00 0.00 H new ATOM 0 HE2 MET A 110 -0.581 -0.763 -8.707 1.00 0.00 H new ATOM 0 HE3 MET A 110 -1.219 -2.064 -9.740 1.00 0.00 H new ATOM 1753 N GLU A 111 -2.805 3.689 -5.940 1.00 0.00 N ATOM 1754 CA GLU A 111 -2.812 5.122 -5.673 1.00 0.00 C ATOM 1755 C GLU A 111 -1.464 5.580 -5.123 1.00 0.00 C ATOM 1756 O GLU A 111 -0.713 6.281 -5.800 1.00 0.00 O ATOM 1757 CB GLU A 111 -3.925 5.473 -4.683 1.00 0.00 C ATOM 1758 CG GLU A 111 -5.260 5.768 -5.346 1.00 0.00 C ATOM 1759 CD GLU A 111 -5.256 7.079 -6.107 1.00 0.00 C ATOM 1760 OE1 GLU A 111 -4.679 8.061 -5.593 1.00 0.00 O ATOM 1761 OE2 GLU A 111 -5.829 7.125 -7.215 1.00 0.00 O ATOM 0 H GLU A 111 -3.322 3.130 -5.261 1.00 0.00 H new ATOM 0 HA GLU A 111 -2.996 5.640 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -4.051 4.647 -3.984 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -3.619 6.341 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.509 4.956 -6.029 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -6.041 5.796 -4.586 1.00 0.00 H new ATOM 1768 N ALA A 112 -1.167 5.178 -3.892 1.00 0.00 N ATOM 1769 CA ALA A 112 0.090 5.545 -3.252 1.00 0.00 C ATOM 1770 C ALA A 112 1.276 5.270 -4.171 1.00 0.00 C ATOM 1771 O ALA A 112 2.317 5.917 -4.066 1.00 0.00 O ATOM 1772 CB ALA A 112 0.253 4.794 -1.939 1.00 0.00 C ATOM 0 H ALA A 112 -1.779 4.598 -3.318 1.00 0.00 H new ATOM 0 HA ALA A 112 0.064 6.615 -3.046 1.00 0.00 H new ATOM 0 HB1 ALA A 112 1.196 5.078 -1.472 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -0.572 5.044 -1.272 1.00 0.00 H new ATOM 0 HB3 ALA A 112 0.252 3.721 -2.131 1.00 0.00 H new ATOM 1778 N ASN A 113 1.110 4.306 -5.071 1.00 0.00 N ATOM 1779 CA ASN A 113 2.167 3.945 -6.008 1.00 0.00 C ATOM 1780 C ASN A 113 2.352 5.030 -7.065 1.00 0.00 C ATOM 1781 O ASN A 113 3.476 5.360 -7.440 1.00 0.00 O ATOM 1782 CB ASN A 113 1.845 2.610 -6.682 1.00 0.00 C ATOM 1783 CG ASN A 113 2.437 2.508 -8.074 1.00 0.00 C ATOM 1784 OD1 ASN A 113 3.625 2.761 -8.276 1.00 0.00 O ATOM 1785 ND2 ASN A 113 1.609 2.135 -9.043 1.00 0.00 N ATOM 0 H ASN A 113 0.254 3.761 -5.171 1.00 0.00 H new ATOM 0 HA ASN A 113 3.097 3.847 -5.448 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.226 1.794 -6.067 1.00 0.00 H new ATOM 0 HB3 ASN A 113 0.764 2.487 -6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 113 1.950 2.048 -10.000 1.00 0.00 H new ATOM 0 HD22 ASN A 113 0.632 1.935 -8.830 1.00 0.00 H new ATOM 1792 N SER A 114 1.239 5.580 -7.540 1.00 0.00 N ATOM 1793 CA SER A 114 1.277 6.626 -8.556 1.00 0.00 C ATOM 1794 C SER A 114 0.622 7.905 -8.044 1.00 0.00 C ATOM 1795 O SER A 114 -0.161 8.542 -8.749 1.00 0.00 O ATOM 1796 CB SER A 114 0.574 6.154 -9.830 1.00 0.00 C ATOM 1797 OG SER A 114 1.182 4.982 -10.344 1.00 0.00 O ATOM 0 H SER A 114 0.300 5.319 -7.238 1.00 0.00 H new ATOM 0 HA SER A 114 2.321 6.840 -8.784 1.00 0.00 H new ATOM 0 HB2 SER A 114 -0.477 5.959 -9.618 1.00 0.00 H new ATOM 0 HB3 SER A 114 0.607 6.944 -10.581 1.00 0.00 H new ATOM 0 HG SER A 114 0.713 4.700 -11.157 1.00 0.00 H new ATOM 1803 N THR A 115 0.949 8.277 -6.810 1.00 0.00 N ATOM 1804 CA THR A 115 0.393 9.479 -6.201 1.00 0.00 C ATOM 1805 C THR A 115 1.350 10.066 -5.170 1.00 0.00 C ATOM 1806 O THR A 115 1.501 9.550 -4.062 1.00 0.00 O ATOM 1807 CB THR A 115 -0.960 9.191 -5.524 1.00 0.00 C ATOM 1808 OG1 THR A 115 -1.966 8.964 -6.516 1.00 0.00 O ATOM 1809 CG2 THR A 115 -1.374 10.349 -4.629 1.00 0.00 C ATOM 0 H THR A 115 1.596 7.763 -6.213 1.00 0.00 H new ATOM 0 HA THR A 115 0.243 10.200 -7.005 1.00 0.00 H new ATOM 0 HB THR A 115 -0.851 8.298 -4.908 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.795 8.674 -6.081 1.00 0.00 H new ATOM 0 HG21 THR A 115 -2.332 10.123 -4.162 1.00 0.00 H new ATOM 0 HG22 THR A 115 -0.620 10.499 -3.856 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.467 11.256 -5.227 1.00 0.00 H new ATOM 1817 N PRO A 116 2.014 11.172 -5.540 1.00 0.00 N ATOM 1818 CA PRO A 116 2.968 11.854 -4.660 1.00 0.00 C ATOM 1819 C PRO A 116 2.282 12.540 -3.483 1.00 0.00 C ATOM 1820 O PRO A 116 1.064 12.717 -3.480 1.00 0.00 O ATOM 1821 CB PRO A 116 3.619 12.891 -5.579 1.00 0.00 C ATOM 1822 CG PRO A 116 2.606 13.144 -6.641 1.00 0.00 C ATOM 1823 CD PRO A 116 1.884 11.841 -6.845 1.00 0.00 C ATOM 0 HA PRO A 116 3.677 11.159 -4.210 1.00 0.00 H new ATOM 0 HB2 PRO A 116 3.860 13.805 -5.036 1.00 0.00 H new ATOM 0 HB3 PRO A 116 4.551 12.516 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 116 1.914 13.931 -6.340 1.00 0.00 H new ATOM 0 HG3 PRO A 116 3.083 13.474 -7.564 1.00 0.00 H new ATOM 0 HD2 PRO A 116 0.839 11.998 -7.114 1.00 0.00 H new ATOM 0 HD3 PRO A 116 2.334 11.253 -7.645 1.00 0.00 H new ATOM 1831 N ALA A 117 3.072 12.925 -2.487 1.00 0.00 N ATOM 1832 CA ALA A 117 2.541 13.595 -1.306 1.00 0.00 C ATOM 1833 C ALA A 117 3.456 14.731 -0.861 1.00 0.00 C ATOM 1834 O ALA A 117 4.617 14.818 -1.260 1.00 0.00 O ATOM 1835 CB ALA A 117 2.349 12.596 -0.175 1.00 0.00 C ATOM 0 H ALA A 117 4.082 12.785 -2.474 1.00 0.00 H new ATOM 0 HA ALA A 117 1.573 14.024 -1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.952 13.110 0.701 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.650 11.821 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 117 3.307 12.141 0.075 1.00 0.00 H new ATOM 1841 N PRO A 118 2.922 15.625 -0.015 1.00 0.00 N ATOM 1842 CA PRO A 118 3.673 16.773 0.502 1.00 0.00 C ATOM 1843 C PRO A 118 4.768 16.356 1.478 1.00 0.00 C ATOM 1844 O PRO A 118 5.755 17.069 1.659 1.00 0.00 O ATOM 1845 CB PRO A 118 2.605 17.602 1.218 1.00 0.00 C ATOM 1846 CG PRO A 118 1.549 16.620 1.592 1.00 0.00 C ATOM 1847 CD PRO A 118 1.544 15.584 0.502 1.00 0.00 C ATOM 0 HA PRO A 118 4.190 17.313 -0.291 1.00 0.00 H new ATOM 0 HB2 PRO A 118 3.014 18.098 2.098 1.00 0.00 H new ATOM 0 HB3 PRO A 118 2.208 18.382 0.568 1.00 0.00 H new ATOM 0 HG2 PRO A 118 1.762 16.167 2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 118 0.576 17.105 1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 118 1.289 14.597 0.887 1.00 0.00 H new ATOM 0 HD3 PRO A 118 0.816 15.821 -0.274 1.00 0.00 H new ATOM 1855 N ALA A 119 4.587 15.198 2.104 1.00 0.00 N ATOM 1856 CA ALA A 119 5.561 14.686 3.060 1.00 0.00 C ATOM 1857 C ALA A 119 6.897 14.400 2.383 1.00 0.00 C ATOM 1858 O ALA A 119 6.951 14.131 1.184 1.00 0.00 O ATOM 1859 CB ALA A 119 5.029 13.430 3.734 1.00 0.00 C ATOM 0 H ALA A 119 3.775 14.597 1.966 1.00 0.00 H new ATOM 0 HA ALA A 119 5.725 15.451 3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.767 13.059 4.445 1.00 0.00 H new ATOM 0 HB2 ALA A 119 4.103 13.664 4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 119 4.835 12.667 2.980 1.00 0.00 H new ATOM 1865 N GLY A 120 7.974 14.460 3.160 1.00 0.00 N ATOM 1866 CA GLY A 120 9.296 14.205 2.617 1.00 0.00 C ATOM 1867 C GLY A 120 10.382 14.293 3.670 1.00 0.00 C ATOM 1868 O GLY A 120 11.137 15.263 3.713 1.00 0.00 O ATOM 0 H GLY A 120 7.955 14.681 4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 120 9.314 13.214 2.163 1.00 0.00 H new ATOM 0 HA3 GLY A 120 9.504 14.923 1.824 1.00 0.00 H new ATOM 1872 N ALA A 121 10.460 13.277 4.524 1.00 0.00 N ATOM 1873 CA ALA A 121 11.462 13.244 5.582 1.00 0.00 C ATOM 1874 C ALA A 121 12.750 12.586 5.097 1.00 0.00 C ATOM 1875 O ALA A 121 12.806 12.045 3.992 1.00 0.00 O ATOM 1876 CB ALA A 121 10.919 12.511 6.800 1.00 0.00 C ATOM 0 H ALA A 121 9.841 12.466 4.503 1.00 0.00 H new ATOM 0 HA ALA A 121 11.693 14.272 5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 121 11.678 12.494 7.582 1.00 0.00 H new ATOM 0 HB2 ALA A 121 10.030 13.024 7.167 1.00 0.00 H new ATOM 0 HB3 ALA A 121 10.659 11.489 6.524 1.00 0.00 H new ATOM 1882 N THR A 122 13.785 12.637 5.931 1.00 0.00 N ATOM 1883 CA THR A 122 15.073 12.048 5.587 1.00 0.00 C ATOM 1884 C THR A 122 15.067 10.541 5.816 1.00 0.00 C ATOM 1885 O THR A 122 15.028 10.076 6.956 1.00 0.00 O ATOM 1886 CB THR A 122 16.215 12.676 6.407 1.00 0.00 C ATOM 1887 OG1 THR A 122 16.258 14.090 6.184 1.00 0.00 O ATOM 1888 CG2 THR A 122 17.553 12.057 6.034 1.00 0.00 C ATOM 0 H THR A 122 13.756 13.080 6.849 1.00 0.00 H new ATOM 0 HA THR A 122 15.241 12.251 4.529 1.00 0.00 H new ATOM 0 HB THR A 122 16.025 12.481 7.462 1.00 0.00 H new ATOM 0 HG1 THR A 122 16.986 14.482 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 122 18.344 12.517 6.626 1.00 0.00 H new ATOM 0 HG22 THR A 122 17.526 10.986 6.233 1.00 0.00 H new ATOM 0 HG23 THR A 122 17.749 12.224 4.975 1.00 0.00 H new ATOM 1896 N VAL A 123 15.107 9.781 4.726 1.00 0.00 N ATOM 1897 CA VAL A 123 15.108 8.325 4.809 1.00 0.00 C ATOM 1898 C VAL A 123 15.814 7.707 3.607 1.00 0.00 C ATOM 1899 O VAL A 123 15.721 8.198 2.482 1.00 0.00 O ATOM 1900 CB VAL A 123 13.676 7.766 4.893 1.00 0.00 C ATOM 1901 CG1 VAL A 123 12.989 8.244 6.163 1.00 0.00 C ATOM 1902 CG2 VAL A 123 12.876 8.166 3.662 1.00 0.00 C ATOM 0 H VAL A 123 15.139 10.149 3.775 1.00 0.00 H new ATOM 0 HA VAL A 123 15.646 8.060 5.719 1.00 0.00 H new ATOM 0 HB VAL A 123 13.731 6.678 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 123 11.978 7.839 6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 123 13.552 7.903 7.032 1.00 0.00 H new ATOM 0 HG13 VAL A 123 12.943 9.333 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 123 11.866 7.763 3.737 1.00 0.00 H new ATOM 0 HG22 VAL A 123 12.829 9.253 3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 123 13.359 7.769 2.769 1.00 0.00 H new ATOM 1912 N PRO A 124 16.536 6.603 3.848 1.00 0.00 N ATOM 1913 CA PRO A 124 17.271 5.893 2.798 1.00 0.00 C ATOM 1914 C PRO A 124 16.342 5.188 1.815 1.00 0.00 C ATOM 1915 O PRO A 124 15.897 4.067 2.061 1.00 0.00 O ATOM 1916 CB PRO A 124 18.102 4.869 3.576 1.00 0.00 C ATOM 1917 CG PRO A 124 17.345 4.648 4.839 1.00 0.00 C ATOM 1918 CD PRO A 124 16.691 5.963 5.165 1.00 0.00 C ATOM 0 HA PRO A 124 17.868 6.572 2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 124 18.214 3.942 3.014 1.00 0.00 H new ATOM 0 HB3 PRO A 124 19.106 5.244 3.776 1.00 0.00 H new ATOM 0 HG2 PRO A 124 16.600 3.862 4.715 1.00 0.00 H new ATOM 0 HG3 PRO A 124 18.010 4.333 5.643 1.00 0.00 H new ATOM 0 HD2 PRO A 124 15.730 5.822 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 124 17.308 6.564 5.834 1.00 0.00 H new ATOM 1926 N SER A 125 16.053 5.853 0.701 1.00 0.00 N ATOM 1927 CA SER A 125 15.174 5.291 -0.318 1.00 0.00 C ATOM 1928 C SER A 125 15.863 4.153 -1.063 1.00 0.00 C ATOM 1929 O SER A 125 16.982 3.765 -0.730 1.00 0.00 O ATOM 1930 CB SER A 125 14.744 6.377 -1.306 1.00 0.00 C ATOM 1931 OG SER A 125 13.459 6.104 -1.837 1.00 0.00 O ATOM 0 H SER A 125 16.414 6.781 0.481 1.00 0.00 H new ATOM 0 HA SER A 125 14.290 4.892 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 125 14.736 7.345 -0.806 1.00 0.00 H new ATOM 0 HB3 SER A 125 15.469 6.443 -2.117 1.00 0.00 H new ATOM 0 HG SER A 125 13.207 6.814 -2.464 1.00 0.00 H new ATOM 1937 N GLY A 126 15.186 3.620 -2.076 1.00 0.00 N ATOM 1938 CA GLY A 126 15.747 2.531 -2.854 1.00 0.00 C ATOM 1939 C GLY A 126 15.295 2.558 -4.300 1.00 0.00 C ATOM 1940 O GLY A 126 14.518 1.714 -4.746 1.00 0.00 O ATOM 0 H GLY A 126 14.258 3.924 -2.372 1.00 0.00 H new ATOM 0 HA2 GLY A 126 16.835 2.584 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 126 15.458 1.581 -2.404 1.00 0.00 H new ATOM 1944 N PRO A 127 15.786 3.549 -5.059 1.00 0.00 N ATOM 1945 CA PRO A 127 15.440 3.707 -6.475 1.00 0.00 C ATOM 1946 C PRO A 127 16.042 2.609 -7.345 1.00 0.00 C ATOM 1947 O PRO A 127 16.956 1.901 -6.923 1.00 0.00 O ATOM 1948 CB PRO A 127 16.041 5.067 -6.838 1.00 0.00 C ATOM 1949 CG PRO A 127 17.156 5.259 -5.868 1.00 0.00 C ATOM 1950 CD PRO A 127 16.717 4.591 -4.595 1.00 0.00 C ATOM 0 HA PRO A 127 14.365 3.643 -6.641 1.00 0.00 H new ATOM 0 HB2 PRO A 127 16.404 5.078 -7.866 1.00 0.00 H new ATOM 0 HB3 PRO A 127 15.301 5.863 -6.753 1.00 0.00 H new ATOM 0 HG2 PRO A 127 18.079 4.817 -6.242 1.00 0.00 H new ATOM 0 HG3 PRO A 127 17.353 6.319 -5.705 1.00 0.00 H new ATOM 0 HD2 PRO A 127 17.561 4.163 -4.054 1.00 0.00 H new ATOM 0 HD3 PRO A 127 16.229 5.294 -3.920 1.00 0.00 H new ATOM 1958 N SER A 128 15.525 2.474 -8.562 1.00 0.00 N ATOM 1959 CA SER A 128 16.011 1.460 -9.491 1.00 0.00 C ATOM 1960 C SER A 128 15.777 1.891 -10.936 1.00 0.00 C ATOM 1961 O SER A 128 14.832 2.622 -11.233 1.00 0.00 O ATOM 1962 CB SER A 128 15.316 0.123 -9.227 1.00 0.00 C ATOM 1963 OG SER A 128 15.741 -0.438 -7.997 1.00 0.00 O ATOM 0 H SER A 128 14.770 3.054 -8.928 1.00 0.00 H new ATOM 0 HA SER A 128 17.083 1.342 -9.334 1.00 0.00 H new ATOM 0 HB2 SER A 128 14.236 0.268 -9.210 1.00 0.00 H new ATOM 0 HB3 SER A 128 15.532 -0.570 -10.040 1.00 0.00 H new ATOM 0 HG SER A 128 16.323 0.198 -7.531 1.00 0.00 H new ATOM 1969 N SER A 129 16.646 1.432 -11.831 1.00 0.00 N ATOM 1970 CA SER A 129 16.538 1.772 -13.245 1.00 0.00 C ATOM 1971 C SER A 129 15.131 1.494 -13.765 1.00 0.00 C ATOM 1972 O SER A 129 14.597 0.400 -13.590 1.00 0.00 O ATOM 1973 CB SER A 129 17.561 0.979 -14.061 1.00 0.00 C ATOM 1974 OG SER A 129 17.721 1.534 -15.355 1.00 0.00 O ATOM 0 H SER A 129 17.432 0.824 -11.602 1.00 0.00 H new ATOM 0 HA SER A 129 16.743 2.837 -13.354 1.00 0.00 H new ATOM 0 HB2 SER A 129 18.520 0.975 -13.543 1.00 0.00 H new ATOM 0 HB3 SER A 129 17.239 -0.059 -14.144 1.00 0.00 H new ATOM 0 HG SER A 129 18.381 1.011 -15.856 1.00 0.00 H new ATOM 1980 N GLY A 130 14.535 2.495 -14.406 1.00 0.00 N ATOM 1981 CA GLY A 130 13.196 2.340 -14.941 1.00 0.00 C ATOM 1982 C GLY A 130 13.075 2.859 -16.361 1.00 0.00 C ATOM 1983 O GLY A 130 12.162 2.477 -17.093 1.00 0.00 O ATOM 0 H GLY A 130 14.956 3.410 -14.564 1.00 0.00 H new ATOM 0 HA2 GLY A 130 12.919 1.286 -14.918 1.00 0.00 H new ATOM 0 HA3 GLY A 130 12.489 2.870 -14.302 1.00 0.00 H new TER 1987 GLY A 130