USER MOD reduce.3.24.130724 H: found=0, std=0, add=1012, rem=0, adj=45 USER MOD reduce.3.24.130724 removed 1007 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 68 LYS NZ :NH3+ 173:sc= -0.0358 (180deg=-0.0963) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= -1.41 USER MOD Set 2.1: A 54 THR OG1 : rot 39:sc= -0.682! USER MOD Set 2.2: A 57 SER OG : rot -49:sc= 0.503 USER MOD Set 3.1: A 27 GLN : amide:sc= -6.8! C(o=-4.9!,f=-9.3!) USER MOD Set 3.2: A 101 LYS NZ :NH3+ -128:sc= 1.91 (180deg=-1.05) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 13 THR OG1 : rot 69:sc= 0.841 USER MOD Single : A 14 THR OG1 : rot -71:sc= 1.08 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0496 USER MOD Single : A 19 LYS NZ :NH3+ 138:sc= -0.018 (180deg=-0.124) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.8!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -137:sc=-0.00106 (180deg=-0.263) USER MOD Single : A 33 LYS NZ :NH3+ -119:sc= -0.941 (180deg=-3.06!) USER MOD Single : A 35 TYR OH : rot 150:sc= -0.853 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.0819 USER MOD Single : A 42 HIS : no HD1:sc= 0.0755 K(o=0.075,f=-1.4!) USER MOD Single : A 43 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.4!) USER MOD Single : A 46 THR OG1 : rot -10:sc= 0.716 USER MOD Single : A 48 ASN : amide:sc= -3.43! X(o=-3.4!,f=-3.3) USER MOD Single : A 50 GLN : amide:sc=-0.00976 X(o=-0.0098,f=-0.012) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -0.0926 K(o=-0.093,f=-1.8!) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.373 F(o=-1.1,f=-0.37) USER MOD Single : A 69 SER OG : rot -170:sc= -1.45 USER MOD Single : A 71 SER OG : rot -41:sc= 1.04 USER MOD Single : A 72 MET CE :methyl -141:sc= -8.04! (180deg=-12.3!) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.471 F(o=-2.1,f=-0.47) USER MOD Single : A 76 ASN : amide:sc= -3! C(o=-3!,f=-4.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 7:sc= -0.358 USER MOD Single : A 87 SER OG : rot 180:sc= -0.409 USER MOD Single : A 88 LYS NZ :NH3+ 140:sc= -0.728 (180deg=-2.81!) USER MOD Single : A 89 LYS NZ :NH3+ 150:sc= -1.56 (180deg=-3.39!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -11:sc= 0.542 USER MOD Single : A 99 CYS SG : rot 180:sc= -0.606 USER MOD Single : A 102 LYS NZ :NH3+ -150:sc= -0.115 (180deg=-0.61) USER MOD Single : A 105 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.5!) USER MOD Single : A 106 THR OG1 : rot 12:sc= 1.11 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc=0.000709 USER MOD Single : A 113 GLN : amide:sc= -0.0667 K(o=-0.067,f=-0.75) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 CYS SG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.00351) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 43:sc= 0.43 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.536 -5.927 46.170 1.00 0.00 N ATOM 2 CA GLY A 1 -7.811 -5.041 45.276 1.00 0.00 C ATOM 3 C GLY A 1 -7.120 -3.920 46.055 1.00 0.00 C ATOM 4 O GLY A 1 -6.120 -4.155 46.731 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.995 -6.678 45.617 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.874 -6.353 46.849 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.259 -5.385 46.685 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.069 -5.611 44.717 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.499 -4.612 44.547 1.00 0.00 H new ATOM 8 N SER A 2 -7.682 -2.726 45.935 1.00 0.00 N ATOM 9 CA SER A 2 -7.133 -1.568 46.619 1.00 0.00 C ATOM 10 C SER A 2 -8.232 -0.531 46.858 1.00 0.00 C ATOM 11 O SER A 2 -8.499 -0.156 47.999 1.00 0.00 O ATOM 12 CB SER A 2 -5.984 -0.950 45.821 1.00 0.00 C ATOM 13 OG SER A 2 -4.784 -0.871 46.585 1.00 0.00 O ATOM 0 H SER A 2 -8.512 -2.536 45.374 1.00 0.00 H new ATOM 0 HA SER A 2 -6.737 -1.895 47.580 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.805 -1.544 44.925 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.269 0.049 45.490 1.00 0.00 H new ATOM 0 HG SER A 2 -4.074 -0.472 46.039 1.00 0.00 H new ATOM 19 N SER A 3 -8.840 -0.098 45.764 1.00 0.00 N ATOM 20 CA SER A 3 -9.904 0.888 45.840 1.00 0.00 C ATOM 21 C SER A 3 -10.485 1.140 44.447 1.00 0.00 C ATOM 22 O SER A 3 -10.113 2.105 43.781 1.00 0.00 O ATOM 23 CB SER A 3 -9.400 2.198 46.449 1.00 0.00 C ATOM 24 OG SER A 3 -10.055 2.502 47.677 1.00 0.00 O ATOM 0 H SER A 3 -8.616 -0.412 44.820 1.00 0.00 H new ATOM 0 HA SER A 3 -10.687 0.495 46.488 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.325 2.129 46.619 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.560 3.012 45.742 1.00 0.00 H new ATOM 0 HG SER A 3 -9.705 3.344 48.035 1.00 0.00 H new ATOM 30 N GLY A 4 -11.387 0.255 44.048 1.00 0.00 N ATOM 31 CA GLY A 4 -12.022 0.370 42.746 1.00 0.00 C ATOM 32 C GLY A 4 -11.896 -0.936 41.958 1.00 0.00 C ATOM 33 O GLY A 4 -11.011 -1.745 42.228 1.00 0.00 O ATOM 0 H GLY A 4 -11.693 -0.544 44.603 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.075 0.623 42.872 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.563 1.184 42.184 1.00 0.00 H new ATOM 37 N SER A 5 -12.796 -1.099 40.999 1.00 0.00 N ATOM 38 CA SER A 5 -12.796 -2.293 40.169 1.00 0.00 C ATOM 39 C SER A 5 -13.746 -2.106 38.984 1.00 0.00 C ATOM 40 O SER A 5 -14.755 -1.412 39.097 1.00 0.00 O ATOM 41 CB SER A 5 -13.196 -3.527 40.980 1.00 0.00 C ATOM 42 OG SER A 5 -12.206 -4.550 40.917 1.00 0.00 O ATOM 0 H SER A 5 -13.529 -0.425 40.778 1.00 0.00 H new ATOM 0 HA SER A 5 -11.784 -2.450 39.795 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.357 -3.241 42.020 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.143 -3.915 40.606 1.00 0.00 H new ATOM 0 HG SER A 5 -12.497 -5.320 41.448 1.00 0.00 H new ATOM 48 N SER A 6 -13.389 -2.737 37.876 1.00 0.00 N ATOM 49 CA SER A 6 -14.197 -2.649 36.671 1.00 0.00 C ATOM 50 C SER A 6 -14.029 -3.919 35.834 1.00 0.00 C ATOM 51 O SER A 6 -15.002 -4.619 35.559 1.00 0.00 O ATOM 52 CB SER A 6 -13.823 -1.417 35.846 1.00 0.00 C ATOM 53 OG SER A 6 -14.963 -0.816 35.237 1.00 0.00 O ATOM 0 H SER A 6 -12.551 -3.312 37.787 1.00 0.00 H new ATOM 0 HA SER A 6 -15.242 -2.552 36.966 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.328 -0.688 36.487 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.107 -1.701 35.075 1.00 0.00 H new ATOM 0 HG SER A 6 -14.683 -0.032 34.721 1.00 0.00 H new ATOM 59 N GLY A 7 -12.787 -4.178 35.454 1.00 0.00 N ATOM 60 CA GLY A 7 -12.478 -5.352 34.654 1.00 0.00 C ATOM 61 C GLY A 7 -11.700 -4.967 33.394 1.00 0.00 C ATOM 62 O GLY A 7 -11.556 -3.785 33.085 1.00 0.00 O ATOM 0 H GLY A 7 -11.982 -3.595 35.685 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -11.893 -6.056 35.246 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.401 -5.860 34.375 1.00 0.00 H new ATOM 66 N VAL A 8 -11.219 -5.988 32.700 1.00 0.00 N ATOM 67 CA VAL A 8 -10.459 -5.772 31.480 1.00 0.00 C ATOM 68 C VAL A 8 -11.190 -6.428 30.307 1.00 0.00 C ATOM 69 O VAL A 8 -11.528 -7.609 30.363 1.00 0.00 O ATOM 70 CB VAL A 8 -9.029 -6.286 31.657 1.00 0.00 C ATOM 71 CG1 VAL A 8 -8.241 -6.174 30.350 1.00 0.00 C ATOM 72 CG2 VAL A 8 -8.317 -5.547 32.791 1.00 0.00 C ATOM 0 H VAL A 8 -11.341 -6.967 32.959 1.00 0.00 H new ATOM 0 HA VAL A 8 -10.382 -4.707 31.260 1.00 0.00 H new ATOM 0 HB VAL A 8 -9.083 -7.341 31.927 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.228 -6.546 30.503 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -8.732 -6.766 29.577 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.201 -5.131 30.037 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.303 -5.932 32.895 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.279 -4.482 32.564 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.861 -5.700 33.723 1.00 0.00 H new ATOM 82 N VAL A 9 -11.411 -5.633 29.270 1.00 0.00 N ATOM 83 CA VAL A 9 -12.095 -6.121 28.085 1.00 0.00 C ATOM 84 C VAL A 9 -11.306 -5.709 26.840 1.00 0.00 C ATOM 85 O VAL A 9 -10.655 -4.666 26.831 1.00 0.00 O ATOM 86 CB VAL A 9 -13.540 -5.619 28.071 1.00 0.00 C ATOM 87 CG1 VAL A 9 -13.597 -4.122 27.758 1.00 0.00 C ATOM 88 CG2 VAL A 9 -14.389 -6.419 27.080 1.00 0.00 C ATOM 0 H VAL A 9 -11.128 -4.654 29.226 1.00 0.00 H new ATOM 0 HA VAL A 9 -12.144 -7.210 28.093 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.957 -5.769 29.067 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -14.635 -3.790 27.754 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -13.043 -3.570 28.517 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -13.154 -3.938 26.779 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.412 -6.042 27.090 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -13.973 -6.315 26.078 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -14.387 -7.471 27.366 1.00 0.00 H new ATOM 98 N ALA A 10 -11.391 -6.550 25.820 1.00 0.00 N ATOM 99 CA ALA A 10 -10.694 -6.286 24.573 1.00 0.00 C ATOM 100 C ALA A 10 -11.674 -5.685 23.563 1.00 0.00 C ATOM 101 O ALA A 10 -12.560 -6.377 23.065 1.00 0.00 O ATOM 102 CB ALA A 10 -10.051 -7.578 24.064 1.00 0.00 C ATOM 0 H ALA A 10 -11.932 -7.415 25.832 1.00 0.00 H new ATOM 0 HA ALA A 10 -9.894 -5.562 24.726 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -9.528 -7.380 23.128 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.342 -7.948 24.805 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.824 -8.328 23.896 1.00 0.00 H new ATOM 108 N PRO A 11 -11.475 -4.369 23.282 1.00 0.00 N ATOM 109 CA PRO A 11 -12.331 -3.667 22.341 1.00 0.00 C ATOM 110 C PRO A 11 -11.998 -4.060 20.900 1.00 0.00 C ATOM 111 O PRO A 11 -11.071 -3.515 20.302 1.00 0.00 O ATOM 112 CB PRO A 11 -12.099 -2.192 22.623 1.00 0.00 C ATOM 113 CG PRO A 11 -10.787 -2.114 23.386 1.00 0.00 C ATOM 114 CD PRO A 11 -10.435 -3.518 23.852 1.00 0.00 C ATOM 0 HA PRO A 11 -13.384 -3.920 22.460 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.046 -1.621 21.696 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.917 -1.773 23.209 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -9.998 -1.714 22.749 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.880 -1.441 24.238 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.446 -3.814 23.504 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.422 -3.583 24.940 1.00 0.00 H new ATOM 122 N ILE A 12 -12.773 -5.003 20.383 1.00 0.00 N ATOM 123 CA ILE A 12 -12.572 -5.475 19.024 1.00 0.00 C ATOM 124 C ILE A 12 -12.846 -4.330 18.046 1.00 0.00 C ATOM 125 O ILE A 12 -13.790 -3.563 18.231 1.00 0.00 O ATOM 126 CB ILE A 12 -13.415 -6.724 18.760 1.00 0.00 C ATOM 127 CG1 ILE A 12 -12.565 -7.840 18.150 1.00 0.00 C ATOM 128 CG2 ILE A 12 -14.632 -6.392 17.895 1.00 0.00 C ATOM 129 CD1 ILE A 12 -13.387 -8.684 17.174 1.00 0.00 C ATOM 0 H ILE A 12 -13.541 -5.453 20.881 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.536 -5.781 18.876 1.00 0.00 H new ATOM 0 HB ILE A 12 -13.790 -7.091 19.715 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.709 -7.408 17.631 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -12.170 -8.476 18.942 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -15.214 -7.297 17.723 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -15.251 -5.655 18.406 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -14.299 -5.987 16.939 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -12.759 -9.470 16.755 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -14.228 -9.134 17.701 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -13.760 -8.050 16.370 1.00 0.00 H new ATOM 141 N THR A 13 -12.004 -4.252 17.025 1.00 0.00 N ATOM 142 CA THR A 13 -12.144 -3.214 16.018 1.00 0.00 C ATOM 143 C THR A 13 -12.514 -3.830 14.667 1.00 0.00 C ATOM 144 O THR A 13 -11.637 -4.229 13.902 1.00 0.00 O ATOM 145 CB THR A 13 -10.843 -2.410 15.984 1.00 0.00 C ATOM 146 OG1 THR A 13 -9.939 -3.243 15.263 1.00 0.00 O ATOM 147 CG2 THR A 13 -10.202 -2.274 17.367 1.00 0.00 C ATOM 0 H THR A 13 -11.223 -4.891 16.874 1.00 0.00 H new ATOM 0 HA THR A 13 -12.958 -2.531 16.263 1.00 0.00 H new ATOM 0 HB THR A 13 -11.040 -1.418 15.576 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.217 -3.292 14.325 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.282 -1.695 17.286 1.00 0.00 H new ATOM 0 HG22 THR A 13 -10.893 -1.766 18.040 1.00 0.00 H new ATOM 0 HG23 THR A 13 -9.974 -3.264 17.761 1.00 0.00 H new ATOM 155 N THR A 14 -13.813 -3.887 14.414 1.00 0.00 N ATOM 156 CA THR A 14 -14.309 -4.446 13.169 1.00 0.00 C ATOM 157 C THR A 14 -13.484 -5.671 12.768 1.00 0.00 C ATOM 158 O THR A 14 -12.566 -5.567 11.957 1.00 0.00 O ATOM 159 CB THR A 14 -14.301 -3.337 12.115 1.00 0.00 C ATOM 160 OG1 THR A 14 -14.027 -4.019 10.894 1.00 0.00 O ATOM 161 CG2 THR A 14 -13.117 -2.381 12.281 1.00 0.00 C ATOM 0 H THR A 14 -14.537 -3.555 15.051 1.00 0.00 H new ATOM 0 HA THR A 14 -15.333 -4.804 13.277 1.00 0.00 H new ATOM 0 HB THR A 14 -15.233 -2.775 12.173 1.00 0.00 H new ATOM 0 HG1 THR A 14 -13.096 -4.326 10.893 1.00 0.00 H new ATOM 0 HG21 THR A 14 -13.158 -1.613 11.508 1.00 0.00 H new ATOM 0 HG22 THR A 14 -13.164 -1.911 13.263 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.184 -2.938 12.190 1.00 0.00 H new ATOM 169 N GLY A 15 -13.842 -6.803 13.356 1.00 0.00 N ATOM 170 CA GLY A 15 -13.147 -8.047 13.070 1.00 0.00 C ATOM 171 C GLY A 15 -11.639 -7.816 12.948 1.00 0.00 C ATOM 172 O GLY A 15 -10.939 -7.715 13.955 1.00 0.00 O ATOM 0 H GLY A 15 -14.604 -6.885 14.029 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -13.345 -8.769 13.862 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -13.529 -8.477 12.144 1.00 0.00 H new ATOM 176 N TYR A 16 -11.183 -7.740 11.707 1.00 0.00 N ATOM 177 CA TYR A 16 -9.771 -7.523 11.440 1.00 0.00 C ATOM 178 C TYR A 16 -9.574 -6.694 10.170 1.00 0.00 C ATOM 179 O TYR A 16 -10.533 -6.413 9.452 1.00 0.00 O ATOM 180 CB TYR A 16 -9.164 -8.911 11.228 1.00 0.00 C ATOM 181 CG TYR A 16 -9.887 -9.752 10.174 1.00 0.00 C ATOM 182 CD1 TYR A 16 -9.887 -9.352 8.853 1.00 0.00 C ATOM 183 CD2 TYR A 16 -10.540 -10.910 10.544 1.00 0.00 C ATOM 184 CE1 TYR A 16 -10.567 -10.144 7.861 1.00 0.00 C ATOM 185 CE2 TYR A 16 -11.221 -11.702 9.552 1.00 0.00 C ATOM 186 CZ TYR A 16 -11.201 -11.279 8.260 1.00 0.00 C ATOM 187 OH TYR A 16 -11.844 -12.027 7.323 1.00 0.00 O ATOM 0 H TYR A 16 -11.766 -7.825 10.875 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.303 -6.983 12.263 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.120 -8.799 10.935 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -9.173 -9.449 12.176 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.377 -8.445 8.563 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -10.540 -11.223 11.578 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.573 -9.843 6.824 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -11.735 -12.611 9.828 1.00 0.00 H new ATOM 0 HH TYR A 16 -12.251 -12.809 7.751 1.00 0.00 H new ATOM 197 N THR A 17 -8.324 -6.325 9.930 1.00 0.00 N ATOM 198 CA THR A 17 -7.989 -5.533 8.758 1.00 0.00 C ATOM 199 C THR A 17 -7.872 -6.430 7.524 1.00 0.00 C ATOM 200 O THR A 17 -7.441 -7.577 7.625 1.00 0.00 O ATOM 201 CB THR A 17 -6.710 -4.752 9.066 1.00 0.00 C ATOM 202 OG1 THR A 17 -6.668 -4.700 10.489 1.00 0.00 O ATOM 203 CG2 THR A 17 -6.803 -3.285 8.642 1.00 0.00 C ATOM 0 H THR A 17 -7.531 -6.560 10.527 1.00 0.00 H new ATOM 0 HA THR A 17 -8.777 -4.816 8.526 1.00 0.00 H new ATOM 0 HB THR A 17 -5.867 -5.223 8.560 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.868 -4.212 10.775 1.00 0.00 H new ATOM 0 HG21 THR A 17 -5.869 -2.777 8.883 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.981 -3.227 7.568 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.625 -2.804 9.172 1.00 0.00 H new ATOM 211 N VAL A 18 -8.265 -5.872 6.388 1.00 0.00 N ATOM 212 CA VAL A 18 -8.210 -6.607 5.136 1.00 0.00 C ATOM 213 C VAL A 18 -6.765 -6.645 4.635 1.00 0.00 C ATOM 214 O VAL A 18 -5.963 -5.776 4.975 1.00 0.00 O ATOM 215 CB VAL A 18 -9.177 -5.990 4.124 1.00 0.00 C ATOM 216 CG1 VAL A 18 -8.932 -6.547 2.720 1.00 0.00 C ATOM 217 CG2 VAL A 18 -10.630 -6.205 4.553 1.00 0.00 C ATOM 0 H VAL A 18 -8.623 -4.920 6.309 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.530 -7.638 5.284 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.991 -4.916 4.095 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.633 -6.092 2.020 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.912 -6.319 2.411 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -9.077 -7.627 2.727 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.297 -5.757 3.816 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.834 -7.273 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.796 -5.738 5.524 1.00 0.00 H new ATOM 227 N LYS A 19 -6.476 -7.661 3.835 1.00 0.00 N ATOM 228 CA LYS A 19 -5.141 -7.824 3.284 1.00 0.00 C ATOM 229 C LYS A 19 -5.154 -7.433 1.805 1.00 0.00 C ATOM 230 O LYS A 19 -5.919 -7.990 1.019 1.00 0.00 O ATOM 231 CB LYS A 19 -4.624 -9.240 3.542 1.00 0.00 C ATOM 232 CG LYS A 19 -5.035 -10.188 2.414 1.00 0.00 C ATOM 233 CD LYS A 19 -5.049 -11.640 2.895 1.00 0.00 C ATOM 234 CE LYS A 19 -4.403 -12.566 1.863 1.00 0.00 C ATOM 235 NZ LYS A 19 -5.260 -12.683 0.662 1.00 0.00 N ATOM 0 H LYS A 19 -7.144 -8.380 3.555 1.00 0.00 H new ATOM 0 HA LYS A 19 -4.438 -7.158 3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.538 -9.224 3.630 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.016 -9.607 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -6.024 -9.914 2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.344 -10.085 1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.516 -11.718 3.843 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -6.076 -11.956 3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.424 -12.179 1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.243 -13.552 2.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.668 -12.646 -0.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -5.773 -13.587 0.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.942 -11.898 0.644 1.00 0.00 H new ATOM 249 N ILE A 20 -4.298 -6.479 1.470 1.00 0.00 N ATOM 250 CA ILE A 20 -4.201 -6.008 0.099 1.00 0.00 C ATOM 251 C ILE A 20 -3.302 -6.955 -0.699 1.00 0.00 C ATOM 252 O ILE A 20 -2.115 -6.686 -0.877 1.00 0.00 O ATOM 253 CB ILE A 20 -3.742 -4.549 0.065 1.00 0.00 C ATOM 254 CG1 ILE A 20 -4.563 -3.693 1.031 1.00 0.00 C ATOM 255 CG2 ILE A 20 -3.777 -3.996 -1.361 1.00 0.00 C ATOM 256 CD1 ILE A 20 -4.077 -2.242 1.027 1.00 0.00 C ATOM 0 H ILE A 20 -3.665 -6.019 2.125 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.181 -6.021 -0.378 1.00 0.00 H new ATOM 0 HB ILE A 20 -2.706 -4.510 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -5.615 -3.728 0.749 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.489 -4.102 2.038 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -3.446 -2.957 -1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.115 -4.585 -1.996 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.795 -4.051 -1.748 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.678 -1.655 1.722 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.031 -2.208 1.332 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.176 -1.828 0.024 1.00 0.00 H new ATOM 268 N SER A 21 -3.902 -8.043 -1.158 1.00 0.00 N ATOM 269 CA SER A 21 -3.170 -9.031 -1.932 1.00 0.00 C ATOM 270 C SER A 21 -2.921 -8.506 -3.348 1.00 0.00 C ATOM 271 O SER A 21 -1.864 -8.751 -3.927 1.00 0.00 O ATOM 272 CB SER A 21 -3.926 -10.360 -1.985 1.00 0.00 C ATOM 273 OG SER A 21 -3.213 -11.351 -2.720 1.00 0.00 O ATOM 0 H SER A 21 -4.887 -8.262 -1.009 1.00 0.00 H new ATOM 0 HA SER A 21 -2.212 -9.208 -1.442 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.102 -10.718 -0.970 1.00 0.00 H new ATOM 0 HB3 SER A 21 -4.903 -10.203 -2.442 1.00 0.00 H new ATOM 0 HG SER A 21 -3.728 -12.185 -2.729 1.00 0.00 H new ATOM 279 N ASN A 22 -3.912 -7.794 -3.864 1.00 0.00 N ATOM 280 CA ASN A 22 -3.813 -7.233 -5.200 1.00 0.00 C ATOM 281 C ASN A 22 -3.545 -5.730 -5.099 1.00 0.00 C ATOM 282 O ASN A 22 -4.343 -4.991 -4.525 1.00 0.00 O ATOM 283 CB ASN A 22 -5.117 -7.429 -5.978 1.00 0.00 C ATOM 284 CG ASN A 22 -4.862 -8.154 -7.301 1.00 0.00 C ATOM 285 OD1 ASN A 22 -3.895 -8.880 -7.464 1.00 0.00 O ATOM 286 ND2 ASN A 22 -5.781 -7.918 -8.232 1.00 0.00 N ATOM 0 H ASN A 22 -4.787 -7.593 -3.381 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.002 -7.743 -5.720 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.822 -8.002 -5.375 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.578 -6.461 -6.173 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.701 -8.356 -9.150 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.566 -7.299 -8.029 1.00 0.00 H new ATOM 293 N TYR A 23 -2.418 -5.323 -5.666 1.00 0.00 N ATOM 294 CA TYR A 23 -2.035 -3.922 -5.646 1.00 0.00 C ATOM 295 C TYR A 23 -1.217 -3.560 -6.888 1.00 0.00 C ATOM 296 O TYR A 23 -0.348 -4.323 -7.307 1.00 0.00 O ATOM 297 CB TYR A 23 -1.161 -3.741 -4.404 1.00 0.00 C ATOM 298 CG TYR A 23 0.065 -4.656 -4.367 1.00 0.00 C ATOM 299 CD1 TYR A 23 1.206 -4.310 -5.061 1.00 0.00 C ATOM 300 CD2 TYR A 23 0.029 -5.828 -3.638 1.00 0.00 C ATOM 301 CE1 TYR A 23 2.359 -5.171 -5.026 1.00 0.00 C ATOM 302 CE2 TYR A 23 1.183 -6.689 -3.603 1.00 0.00 C ATOM 303 CZ TYR A 23 2.291 -6.318 -4.299 1.00 0.00 C ATOM 304 OH TYR A 23 3.380 -7.132 -4.266 1.00 0.00 O ATOM 0 H TYR A 23 -1.759 -5.939 -6.142 1.00 0.00 H new ATOM 0 HA TYR A 23 -2.918 -3.283 -5.632 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -0.829 -2.704 -4.354 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -1.766 -3.925 -3.516 1.00 0.00 H new ATOM 0 HD1 TYR A 23 1.234 -3.393 -5.631 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -0.864 -6.099 -3.094 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.258 -4.912 -5.565 1.00 0.00 H new ATOM 0 HE2 TYR A 23 1.169 -7.609 -3.037 1.00 0.00 H new ATOM 0 HH TYR A 23 3.187 -7.914 -3.707 1.00 0.00 H new ATOM 314 N GLY A 24 -1.524 -2.396 -7.441 1.00 0.00 N ATOM 315 CA GLY A 24 -0.828 -1.924 -8.626 1.00 0.00 C ATOM 316 C GLY A 24 0.372 -1.054 -8.247 1.00 0.00 C ATOM 317 O GLY A 24 0.238 -0.110 -7.470 1.00 0.00 O ATOM 0 H GLY A 24 -2.245 -1.766 -7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.492 -2.775 -9.218 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.514 -1.352 -9.251 1.00 0.00 H new ATOM 321 N TRP A 25 1.518 -1.402 -8.814 1.00 0.00 N ATOM 322 CA TRP A 25 2.740 -0.665 -8.545 1.00 0.00 C ATOM 323 C TRP A 25 3.381 -0.306 -9.887 1.00 0.00 C ATOM 324 O TRP A 25 3.245 -1.045 -10.861 1.00 0.00 O ATOM 325 CB TRP A 25 3.673 -1.464 -7.632 1.00 0.00 C ATOM 326 CG TRP A 25 4.391 -2.619 -8.333 1.00 0.00 C ATOM 327 CD1 TRP A 25 3.911 -3.837 -8.618 1.00 0.00 C ATOM 328 CD2 TRP A 25 5.746 -2.613 -8.830 1.00 0.00 C ATOM 329 NE1 TRP A 25 4.854 -4.615 -9.259 1.00 0.00 N ATOM 330 CE2 TRP A 25 6.005 -3.847 -9.392 1.00 0.00 C ATOM 331 CE3 TRP A 25 6.720 -1.600 -8.806 1.00 0.00 C ATOM 332 CZ2 TRP A 25 7.235 -4.182 -9.972 1.00 0.00 C ATOM 333 CZ3 TRP A 25 7.944 -1.951 -9.389 1.00 0.00 C ATOM 334 CH2 TRP A 25 8.221 -3.188 -9.959 1.00 0.00 C ATOM 0 H TRP A 25 1.625 -2.185 -9.459 1.00 0.00 H new ATOM 0 HA TRP A 25 2.523 0.257 -8.005 1.00 0.00 H new ATOM 0 HB2 TRP A 25 4.418 -0.789 -7.211 1.00 0.00 H new ATOM 0 HB3 TRP A 25 3.095 -1.862 -6.798 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.912 -4.168 -8.377 1.00 0.00 H new ATOM 0 HE1 TRP A 25 4.729 -5.576 -9.577 1.00 0.00 H new ATOM 0 HE3 TRP A 25 6.539 -0.628 -8.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.413 -5.155 -10.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 8.728 -1.208 -9.396 1.00 0.00 H new ATOM 0 HH2 TRP A 25 9.192 -3.382 -10.390 1.00 0.00 H new ATOM 345 N ASP A 26 4.065 0.828 -9.896 1.00 0.00 N ATOM 346 CA ASP A 26 4.727 1.294 -11.102 1.00 0.00 C ATOM 347 C ASP A 26 5.788 2.331 -10.729 1.00 0.00 C ATOM 348 O ASP A 26 5.520 3.248 -9.955 1.00 0.00 O ATOM 349 CB ASP A 26 3.731 1.959 -12.055 1.00 0.00 C ATOM 350 CG ASP A 26 2.278 1.512 -11.886 1.00 0.00 C ATOM 351 OD1 ASP A 26 1.981 0.374 -12.311 1.00 0.00 O ATOM 352 OD2 ASP A 26 1.496 2.317 -11.336 1.00 0.00 O ATOM 0 H ASP A 26 4.175 1.439 -9.086 1.00 0.00 H new ATOM 0 HA ASP A 26 5.177 0.432 -11.594 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.782 3.039 -11.914 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.041 1.756 -13.080 1.00 0.00 H new ATOM 357 N GLN A 27 6.972 2.151 -11.297 1.00 0.00 N ATOM 358 CA GLN A 27 8.074 3.059 -11.033 1.00 0.00 C ATOM 359 C GLN A 27 8.873 3.310 -12.314 1.00 0.00 C ATOM 360 O GLN A 27 8.693 2.611 -13.310 1.00 0.00 O ATOM 361 CB GLN A 27 8.976 2.519 -9.922 1.00 0.00 C ATOM 362 CG GLN A 27 9.473 1.110 -10.255 1.00 0.00 C ATOM 363 CD GLN A 27 10.404 1.130 -11.469 1.00 0.00 C ATOM 364 OE1 GLN A 27 11.155 2.065 -11.693 1.00 0.00 O ATOM 365 NE2 GLN A 27 10.313 0.048 -12.238 1.00 0.00 N ATOM 0 H GLN A 27 7.191 1.389 -11.939 1.00 0.00 H new ATOM 0 HA GLN A 27 7.662 4.009 -10.692 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.827 3.186 -9.784 1.00 0.00 H new ATOM 0 HB3 GLN A 27 8.428 2.502 -8.980 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.999 0.693 -9.396 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.623 0.458 -10.455 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.663 -0.699 -11.993 1.00 0.00 H new ATOM 0 HE22 GLN A 27 10.893 -0.035 -13.073 1.00 0.00 H new ATOM 374 N SER A 28 9.739 4.311 -12.247 1.00 0.00 N ATOM 375 CA SER A 28 10.565 4.663 -13.389 1.00 0.00 C ATOM 376 C SER A 28 11.979 5.015 -12.923 1.00 0.00 C ATOM 377 O SER A 28 12.234 5.116 -11.724 1.00 0.00 O ATOM 378 CB SER A 28 9.958 5.831 -14.170 1.00 0.00 C ATOM 379 OG SER A 28 8.687 5.499 -14.722 1.00 0.00 O ATOM 0 H SER A 28 9.886 4.889 -11.420 1.00 0.00 H new ATOM 0 HA SER A 28 10.612 3.801 -14.055 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.853 6.693 -13.511 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.637 6.123 -14.971 1.00 0.00 H new ATOM 0 HG SER A 28 8.331 6.270 -15.211 1.00 0.00 H new ATOM 385 N ASP A 29 12.862 5.193 -13.895 1.00 0.00 N ATOM 386 CA ASP A 29 14.243 5.532 -13.599 1.00 0.00 C ATOM 387 C ASP A 29 14.300 6.932 -12.985 1.00 0.00 C ATOM 388 O ASP A 29 14.653 7.896 -13.662 1.00 0.00 O ATOM 389 CB ASP A 29 15.093 5.538 -14.871 1.00 0.00 C ATOM 390 CG ASP A 29 14.856 4.357 -15.814 1.00 0.00 C ATOM 391 OD1 ASP A 29 13.815 4.384 -16.506 1.00 0.00 O ATOM 392 OD2 ASP A 29 15.720 3.454 -15.822 1.00 0.00 O ATOM 0 H ASP A 29 12.647 5.109 -14.889 1.00 0.00 H new ATOM 0 HA ASP A 29 14.633 4.785 -12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.899 6.462 -15.415 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.145 5.551 -14.587 1.00 0.00 H new ATOM 397 N LYS A 30 13.948 6.998 -11.709 1.00 0.00 N ATOM 398 CA LYS A 30 13.955 8.264 -10.996 1.00 0.00 C ATOM 399 C LYS A 30 13.427 8.048 -9.577 1.00 0.00 C ATOM 400 O LYS A 30 14.096 8.388 -8.602 1.00 0.00 O ATOM 401 CB LYS A 30 13.186 9.327 -11.783 1.00 0.00 C ATOM 402 CG LYS A 30 14.136 10.385 -12.348 1.00 0.00 C ATOM 403 CD LYS A 30 13.437 11.239 -13.408 1.00 0.00 C ATOM 404 CE LYS A 30 13.492 10.563 -14.780 1.00 0.00 C ATOM 405 NZ LYS A 30 12.178 9.969 -15.118 1.00 0.00 N ATOM 0 H LYS A 30 13.656 6.196 -11.151 1.00 0.00 H new ATOM 0 HA LYS A 30 14.973 8.643 -10.904 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.636 8.855 -12.597 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.450 9.803 -11.135 1.00 0.00 H new ATOM 0 HG2 LYS A 30 14.496 11.023 -11.541 1.00 0.00 H new ATOM 0 HG3 LYS A 30 15.009 9.899 -12.785 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.398 11.403 -13.121 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.912 12.219 -13.462 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.775 11.291 -15.540 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.259 9.788 -14.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.320 9.026 -15.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.603 9.886 -14.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.688 10.578 -15.804 1.00 0.00 H new ATOM 419 N PHE A 31 12.230 7.482 -9.505 1.00 0.00 N ATOM 420 CA PHE A 31 11.604 7.217 -8.221 1.00 0.00 C ATOM 421 C PHE A 31 10.669 6.008 -8.306 1.00 0.00 C ATOM 422 O PHE A 31 10.400 5.504 -9.395 1.00 0.00 O ATOM 423 CB PHE A 31 10.784 8.456 -7.858 1.00 0.00 C ATOM 424 CG PHE A 31 11.602 9.748 -7.800 1.00 0.00 C ATOM 425 CD1 PHE A 31 12.606 9.877 -6.893 1.00 0.00 C ATOM 426 CD2 PHE A 31 11.324 10.768 -8.657 1.00 0.00 C ATOM 427 CE1 PHE A 31 13.365 11.076 -6.839 1.00 0.00 C ATOM 428 CE2 PHE A 31 12.082 11.967 -8.603 1.00 0.00 C ATOM 429 CZ PHE A 31 13.087 12.096 -7.696 1.00 0.00 C ATOM 0 H PHE A 31 11.678 7.200 -10.315 1.00 0.00 H new ATOM 0 HA PHE A 31 12.367 7.001 -7.473 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.984 8.577 -8.589 1.00 0.00 H new ATOM 0 HB3 PHE A 31 10.310 8.295 -6.890 1.00 0.00 H new ATOM 0 HD1 PHE A 31 12.827 9.067 -6.213 1.00 0.00 H new ATOM 0 HD2 PHE A 31 10.527 10.665 -9.378 1.00 0.00 H new ATOM 0 HE1 PHE A 31 14.163 11.178 -6.118 1.00 0.00 H new ATOM 0 HE2 PHE A 31 11.861 12.777 -9.282 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.664 13.008 -7.656 1.00 0.00 H new ATOM 439 N VAL A 32 10.201 5.580 -7.144 1.00 0.00 N ATOM 440 CA VAL A 32 9.302 4.440 -7.073 1.00 0.00 C ATOM 441 C VAL A 32 7.982 4.876 -6.435 1.00 0.00 C ATOM 442 O VAL A 32 7.978 5.611 -5.449 1.00 0.00 O ATOM 443 CB VAL A 32 9.976 3.288 -6.325 1.00 0.00 C ATOM 444 CG1 VAL A 32 8.966 2.190 -5.985 1.00 0.00 C ATOM 445 CG2 VAL A 32 11.149 2.723 -7.130 1.00 0.00 C ATOM 0 H VAL A 32 10.427 6.002 -6.243 1.00 0.00 H new ATOM 0 HA VAL A 32 9.073 4.071 -8.073 1.00 0.00 H new ATOM 0 HB VAL A 32 10.371 3.682 -5.389 1.00 0.00 H new ATOM 0 HG11 VAL A 32 9.471 1.383 -5.454 1.00 0.00 H new ATOM 0 HG12 VAL A 32 8.178 2.603 -5.354 1.00 0.00 H new ATOM 0 HG13 VAL A 32 8.528 1.801 -6.904 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.610 1.906 -6.576 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.787 2.352 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 32 11.886 3.508 -7.299 1.00 0.00 H new ATOM 455 N LYS A 33 6.893 4.404 -7.024 1.00 0.00 N ATOM 456 CA LYS A 33 5.569 4.736 -6.525 1.00 0.00 C ATOM 457 C LYS A 33 4.629 3.551 -6.756 1.00 0.00 C ATOM 458 O LYS A 33 4.786 2.811 -7.726 1.00 0.00 O ATOM 459 CB LYS A 33 5.074 6.044 -7.147 1.00 0.00 C ATOM 460 CG LYS A 33 3.568 6.214 -6.940 1.00 0.00 C ATOM 461 CD LYS A 33 3.154 7.678 -7.104 1.00 0.00 C ATOM 462 CE LYS A 33 3.930 8.343 -8.243 1.00 0.00 C ATOM 463 NZ LYS A 33 3.495 9.747 -8.415 1.00 0.00 N ATOM 0 H LYS A 33 6.900 3.795 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 33 5.601 4.913 -5.450 1.00 0.00 H new ATOM 0 HB2 LYS A 33 5.603 6.886 -6.701 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.301 6.053 -8.213 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.027 5.597 -7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.292 5.863 -5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.084 7.737 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.334 8.217 -6.174 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.999 8.310 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.772 7.791 -9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.102 9.874 -9.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.767 9.974 -7.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.310 10.381 -8.289 1.00 0.00 H new ATOM 477 N ILE A 34 3.674 3.409 -5.850 1.00 0.00 N ATOM 478 CA ILE A 34 2.709 2.326 -5.943 1.00 0.00 C ATOM 479 C ILE A 34 1.295 2.910 -5.961 1.00 0.00 C ATOM 480 O ILE A 34 1.045 3.960 -5.372 1.00 0.00 O ATOM 481 CB ILE A 34 2.939 1.306 -4.826 1.00 0.00 C ATOM 482 CG1 ILE A 34 4.308 0.636 -4.969 1.00 0.00 C ATOM 483 CG2 ILE A 34 1.803 0.282 -4.776 1.00 0.00 C ATOM 484 CD1 ILE A 34 5.303 1.201 -3.953 1.00 0.00 C ATOM 0 H ILE A 34 3.547 4.026 -5.047 1.00 0.00 H new ATOM 0 HA ILE A 34 2.840 1.777 -6.876 1.00 0.00 H new ATOM 0 HB ILE A 34 2.937 1.836 -3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.207 -0.440 -4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.688 0.789 -5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 34 1.991 -0.431 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.859 0.795 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.749 -0.248 -5.727 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.268 0.708 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.420 2.273 -4.115 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.932 1.025 -2.943 1.00 0.00 H new ATOM 496 N TYR A 35 0.406 2.202 -6.643 1.00 0.00 N ATOM 497 CA TYR A 35 -0.977 2.636 -6.745 1.00 0.00 C ATOM 498 C TYR A 35 -1.937 1.491 -6.420 1.00 0.00 C ATOM 499 O TYR A 35 -2.120 0.581 -7.227 1.00 0.00 O ATOM 500 CB TYR A 35 -1.180 3.058 -8.202 1.00 0.00 C ATOM 501 CG TYR A 35 -0.009 3.848 -8.790 1.00 0.00 C ATOM 502 CD1 TYR A 35 1.210 3.232 -8.985 1.00 0.00 C ATOM 503 CD2 TYR A 35 -0.172 5.177 -9.125 1.00 0.00 C ATOM 504 CE1 TYR A 35 2.312 3.976 -9.538 1.00 0.00 C ATOM 505 CE2 TYR A 35 0.929 5.921 -9.678 1.00 0.00 C ATOM 506 CZ TYR A 35 2.117 5.284 -9.858 1.00 0.00 C ATOM 507 OH TYR A 35 3.158 5.986 -10.380 1.00 0.00 O ATOM 0 H TYR A 35 0.617 1.331 -7.130 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.178 3.445 -6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.345 2.167 -8.808 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.084 3.663 -8.272 1.00 0.00 H new ATOM 0 HD1 TYR A 35 1.338 2.192 -8.723 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.126 5.659 -8.972 1.00 0.00 H new ATOM 0 HE1 TYR A 35 3.272 3.506 -9.695 1.00 0.00 H new ATOM 0 HE2 TYR A 35 0.814 6.961 -9.944 1.00 0.00 H new ATOM 0 HH TYR A 35 2.816 6.682 -10.978 1.00 0.00 H new ATOM 517 N ILE A 36 -2.525 1.572 -5.235 1.00 0.00 N ATOM 518 CA ILE A 36 -3.462 0.553 -4.793 1.00 0.00 C ATOM 519 C ILE A 36 -4.891 1.081 -4.942 1.00 0.00 C ATOM 520 O ILE A 36 -5.136 2.274 -4.774 1.00 0.00 O ATOM 521 CB ILE A 36 -3.122 0.092 -3.374 1.00 0.00 C ATOM 522 CG1 ILE A 36 -1.758 -0.599 -3.335 1.00 0.00 C ATOM 523 CG2 ILE A 36 -4.231 -0.795 -2.806 1.00 0.00 C ATOM 524 CD1 ILE A 36 -0.728 0.263 -2.601 1.00 0.00 C ATOM 0 H ILE A 36 -2.371 2.328 -4.568 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.383 -0.335 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.055 0.972 -2.735 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.850 -1.565 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.416 -0.794 -4.351 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.965 -1.109 -1.797 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.166 -0.235 -2.777 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.354 -1.674 -3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.233 -0.251 -2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.621 1.219 -3.114 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.061 0.436 -1.578 1.00 0.00 H new ATOM 536 N THR A 37 -5.795 0.166 -5.257 1.00 0.00 N ATOM 537 CA THR A 37 -7.193 0.523 -5.431 1.00 0.00 C ATOM 538 C THR A 37 -7.956 0.350 -4.116 1.00 0.00 C ATOM 539 O THR A 37 -8.312 -0.767 -3.744 1.00 0.00 O ATOM 540 CB THR A 37 -7.757 -0.318 -6.577 1.00 0.00 C ATOM 541 OG1 THR A 37 -7.256 0.313 -7.752 1.00 0.00 O ATOM 542 CG2 THR A 37 -9.277 -0.190 -6.705 1.00 0.00 C ATOM 0 H THR A 37 -5.587 -0.823 -5.396 1.00 0.00 H new ATOM 0 HA THR A 37 -7.302 1.574 -5.697 1.00 0.00 H new ATOM 0 HB THR A 37 -7.492 -1.364 -6.423 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.573 -0.170 -8.543 1.00 0.00 H new ATOM 0 HG21 THR A 37 -9.626 -0.807 -7.533 1.00 0.00 H new ATOM 0 HG22 THR A 37 -9.749 -0.523 -5.781 1.00 0.00 H new ATOM 0 HG23 THR A 37 -9.540 0.851 -6.892 1.00 0.00 H new ATOM 550 N LEU A 38 -8.184 1.471 -3.449 1.00 0.00 N ATOM 551 CA LEU A 38 -8.898 1.457 -2.183 1.00 0.00 C ATOM 552 C LEU A 38 -9.991 2.527 -2.207 1.00 0.00 C ATOM 553 O LEU A 38 -9.699 3.720 -2.133 1.00 0.00 O ATOM 554 CB LEU A 38 -7.921 1.602 -1.015 1.00 0.00 C ATOM 555 CG LEU A 38 -8.214 0.742 0.216 1.00 0.00 C ATOM 556 CD1 LEU A 38 -9.718 0.507 0.375 1.00 0.00 C ATOM 557 CD2 LEU A 38 -7.432 -0.572 0.165 1.00 0.00 C ATOM 0 H LEU A 38 -7.887 2.396 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.394 0.497 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.920 1.360 -1.372 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.906 2.648 -0.708 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.877 1.284 1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.899 -0.107 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -10.226 1.465 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -10.102 -0.004 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.658 -1.165 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.716 -1.130 -0.727 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.364 -0.359 0.134 1.00 0.00 H new ATOM 569 N THR A 39 -11.228 2.063 -2.311 1.00 0.00 N ATOM 570 CA THR A 39 -12.366 2.966 -2.346 1.00 0.00 C ATOM 571 C THR A 39 -12.696 3.461 -0.937 1.00 0.00 C ATOM 572 O THR A 39 -12.979 2.663 -0.045 1.00 0.00 O ATOM 573 CB THR A 39 -13.528 2.235 -3.022 1.00 0.00 C ATOM 574 OG1 THR A 39 -13.262 2.374 -4.415 1.00 0.00 O ATOM 575 CG2 THR A 39 -14.865 2.953 -2.824 1.00 0.00 C ATOM 0 H THR A 39 -11.467 1.073 -2.372 1.00 0.00 H new ATOM 0 HA THR A 39 -12.144 3.861 -2.927 1.00 0.00 H new ATOM 0 HB THR A 39 -13.598 1.221 -2.628 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.967 1.927 -4.929 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.656 2.393 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.086 3.023 -1.759 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.806 3.955 -3.249 1.00 0.00 H new ATOM 583 N GLY A 40 -12.651 4.776 -0.781 1.00 0.00 N ATOM 584 CA GLY A 40 -12.942 5.388 0.505 1.00 0.00 C ATOM 585 C GLY A 40 -11.672 5.952 1.144 1.00 0.00 C ATOM 586 O GLY A 40 -11.742 6.830 2.002 1.00 0.00 O ATOM 0 H GLY A 40 -12.417 5.435 -1.524 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.673 6.186 0.375 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.391 4.650 1.170 1.00 0.00 H new ATOM 590 N VAL A 41 -10.540 5.424 0.701 1.00 0.00 N ATOM 591 CA VAL A 41 -9.256 5.864 1.219 1.00 0.00 C ATOM 592 C VAL A 41 -9.120 7.375 1.017 1.00 0.00 C ATOM 593 O VAL A 41 -8.330 8.027 1.699 1.00 0.00 O ATOM 594 CB VAL A 41 -8.126 5.069 0.561 1.00 0.00 C ATOM 595 CG1 VAL A 41 -8.029 5.387 -0.932 1.00 0.00 C ATOM 596 CG2 VAL A 41 -6.792 5.328 1.264 1.00 0.00 C ATOM 0 H VAL A 41 -10.486 4.696 -0.011 1.00 0.00 H new ATOM 0 HA VAL A 41 -9.190 5.672 2.290 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.359 4.009 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.218 4.809 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -8.968 5.129 -1.421 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.831 6.451 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -6.006 4.751 0.777 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.551 6.390 1.208 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.867 5.028 2.309 1.00 0.00 H new ATOM 606 N HIS A 42 -9.902 7.887 0.078 1.00 0.00 N ATOM 607 CA HIS A 42 -9.879 9.309 -0.221 1.00 0.00 C ATOM 608 C HIS A 42 -10.909 10.033 0.647 1.00 0.00 C ATOM 609 O HIS A 42 -11.076 11.247 0.537 1.00 0.00 O ATOM 610 CB HIS A 42 -10.088 9.552 -1.717 1.00 0.00 C ATOM 611 CG HIS A 42 -11.531 9.476 -2.156 1.00 0.00 C ATOM 612 ND1 HIS A 42 -12.171 8.279 -2.426 1.00 0.00 N ATOM 613 CD2 HIS A 42 -12.451 10.461 -2.367 1.00 0.00 C ATOM 614 CE1 HIS A 42 -13.419 8.544 -2.783 1.00 0.00 C ATOM 615 NE2 HIS A 42 -13.590 9.896 -2.747 1.00 0.00 N ATOM 0 H HIS A 42 -10.555 7.343 -0.486 1.00 0.00 H new ATOM 0 HA HIS A 42 -8.899 9.720 0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -9.692 10.535 -1.974 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.509 8.818 -2.278 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.281 11.521 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -14.169 7.816 -3.055 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -14.452 10.392 -2.975 1.00 0.00 H new ATOM 623 N GLN A 43 -11.574 9.258 1.491 1.00 0.00 N ATOM 624 CA GLN A 43 -12.583 9.810 2.378 1.00 0.00 C ATOM 625 C GLN A 43 -12.131 9.694 3.835 1.00 0.00 C ATOM 626 O GLN A 43 -12.612 10.427 4.698 1.00 0.00 O ATOM 627 CB GLN A 43 -13.934 9.124 2.167 1.00 0.00 C ATOM 628 CG GLN A 43 -14.443 9.343 0.741 1.00 0.00 C ATOM 629 CD GLN A 43 -15.973 9.344 0.699 1.00 0.00 C ATOM 630 OE1 GLN A 43 -16.645 9.765 1.626 1.00 0.00 O ATOM 631 NE2 GLN A 43 -16.484 8.850 -0.425 1.00 0.00 N ATOM 0 H GLN A 43 -11.433 8.252 1.579 1.00 0.00 H new ATOM 0 HA GLN A 43 -12.708 10.866 2.140 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.838 8.056 2.363 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -14.660 9.515 2.880 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -14.064 10.290 0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -14.058 8.559 0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -15.864 8.514 -1.162 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -17.495 8.807 -0.550 1.00 0.00 H new ATOM 640 N VAL A 44 -11.212 8.768 4.064 1.00 0.00 N ATOM 641 CA VAL A 44 -10.689 8.546 5.401 1.00 0.00 C ATOM 642 C VAL A 44 -9.614 9.591 5.704 1.00 0.00 C ATOM 643 O VAL A 44 -8.982 10.119 4.790 1.00 0.00 O ATOM 644 CB VAL A 44 -10.180 7.109 5.533 1.00 0.00 C ATOM 645 CG1 VAL A 44 -11.293 6.103 5.232 1.00 0.00 C ATOM 646 CG2 VAL A 44 -8.968 6.872 4.630 1.00 0.00 C ATOM 0 H VAL A 44 -10.816 8.162 3.345 1.00 0.00 H new ATOM 0 HA VAL A 44 -11.478 8.666 6.144 1.00 0.00 H new ATOM 0 HB VAL A 44 -9.863 6.959 6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.905 5.090 5.333 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -12.114 6.248 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -11.654 6.253 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.626 5.843 4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.248 7.050 3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.166 7.554 4.911 1.00 0.00 H new ATOM 656 N PRO A 45 -9.435 9.866 7.024 1.00 0.00 N ATOM 657 CA PRO A 45 -8.447 10.839 7.458 1.00 0.00 C ATOM 658 C PRO A 45 -7.031 10.269 7.350 1.00 0.00 C ATOM 659 O PRO A 45 -6.856 9.069 7.142 1.00 0.00 O ATOM 660 CB PRO A 45 -8.839 11.188 8.885 1.00 0.00 C ATOM 661 CG PRO A 45 -9.746 10.062 9.355 1.00 0.00 C ATOM 662 CD PRO A 45 -10.166 9.261 8.133 1.00 0.00 C ATOM 0 HA PRO A 45 -8.433 11.732 6.833 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.959 11.272 9.522 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -9.355 12.147 8.925 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.224 9.424 10.069 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -10.620 10.464 9.867 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.914 8.206 8.245 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.243 9.316 7.974 1.00 0.00 H new ATOM 670 N THR A 46 -6.058 11.156 7.495 1.00 0.00 N ATOM 671 CA THR A 46 -4.663 10.756 7.416 1.00 0.00 C ATOM 672 C THR A 46 -4.245 10.024 8.693 1.00 0.00 C ATOM 673 O THR A 46 -3.123 9.529 8.790 1.00 0.00 O ATOM 674 CB THR A 46 -3.828 12.006 7.131 1.00 0.00 C ATOM 675 OG1 THR A 46 -2.486 11.529 7.111 1.00 0.00 O ATOM 676 CG2 THR A 46 -3.853 13.004 8.290 1.00 0.00 C ATOM 0 H THR A 46 -6.208 12.150 7.667 1.00 0.00 H new ATOM 0 HA THR A 46 -4.500 10.047 6.604 1.00 0.00 H new ATOM 0 HB THR A 46 -4.197 12.491 6.228 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.463 10.604 7.434 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.245 13.872 8.036 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.879 13.321 8.475 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.453 12.531 9.186 1.00 0.00 H new ATOM 684 N GLU A 47 -5.169 9.980 9.641 1.00 0.00 N ATOM 685 CA GLU A 47 -4.910 9.318 10.908 1.00 0.00 C ATOM 686 C GLU A 47 -5.235 7.826 10.804 1.00 0.00 C ATOM 687 O GLU A 47 -4.686 7.014 11.547 1.00 0.00 O ATOM 688 CB GLU A 47 -5.703 9.973 12.042 1.00 0.00 C ATOM 689 CG GLU A 47 -7.175 9.560 11.992 1.00 0.00 C ATOM 690 CD GLU A 47 -7.920 10.036 13.240 1.00 0.00 C ATOM 691 OE1 GLU A 47 -7.546 9.569 14.337 1.00 0.00 O ATOM 692 OE2 GLU A 47 -8.848 10.857 13.069 1.00 0.00 O ATOM 0 H GLU A 47 -6.098 10.392 9.557 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.850 9.424 11.140 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.274 9.687 13.002 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.623 11.057 11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.644 9.979 11.102 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.250 8.476 11.911 1.00 0.00 H new ATOM 699 N ASN A 48 -6.126 7.511 9.875 1.00 0.00 N ATOM 700 CA ASN A 48 -6.530 6.132 9.663 1.00 0.00 C ATOM 701 C ASN A 48 -5.535 5.452 8.721 1.00 0.00 C ATOM 702 O ASN A 48 -5.516 4.227 8.611 1.00 0.00 O ATOM 703 CB ASN A 48 -7.917 6.056 9.021 1.00 0.00 C ATOM 704 CG ASN A 48 -9.013 6.357 10.046 1.00 0.00 C ATOM 705 OD1 ASN A 48 -8.759 6.577 11.219 1.00 0.00 O ATOM 706 ND2 ASN A 48 -10.242 6.356 9.539 1.00 0.00 N ATOM 0 H ASN A 48 -6.579 8.188 9.261 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.554 5.636 10.633 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.980 6.767 8.197 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.072 5.063 8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.042 6.547 10.142 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.384 6.164 8.547 1.00 0.00 H new ATOM 713 N VAL A 49 -4.732 6.277 8.064 1.00 0.00 N ATOM 714 CA VAL A 49 -3.737 5.771 7.135 1.00 0.00 C ATOM 715 C VAL A 49 -2.346 5.911 7.757 1.00 0.00 C ATOM 716 O VAL A 49 -1.828 7.020 7.883 1.00 0.00 O ATOM 717 CB VAL A 49 -3.865 6.488 5.789 1.00 0.00 C ATOM 718 CG1 VAL A 49 -2.960 5.844 4.737 1.00 0.00 C ATOM 719 CG2 VAL A 49 -5.321 6.514 5.319 1.00 0.00 C ATOM 0 H VAL A 49 -4.751 7.293 8.157 1.00 0.00 H new ATOM 0 HA VAL A 49 -3.901 4.711 6.941 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.538 7.519 5.925 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -3.070 6.372 3.790 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.922 5.901 5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.242 4.799 4.605 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.385 7.029 4.360 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.686 5.493 5.207 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.931 7.039 6.054 1.00 0.00 H new ATOM 729 N GLN A 50 -1.782 4.772 8.129 1.00 0.00 N ATOM 730 CA GLN A 50 -0.461 4.754 8.735 1.00 0.00 C ATOM 731 C GLN A 50 0.518 3.979 7.851 1.00 0.00 C ATOM 732 O GLN A 50 0.381 2.769 7.680 1.00 0.00 O ATOM 733 CB GLN A 50 -0.513 4.163 10.145 1.00 0.00 C ATOM 734 CG GLN A 50 -0.682 5.263 11.195 1.00 0.00 C ATOM 735 CD GLN A 50 0.019 4.886 12.502 1.00 0.00 C ATOM 736 OE1 GLN A 50 1.233 4.795 12.581 1.00 0.00 O ATOM 737 NE2 GLN A 50 -0.810 4.673 13.519 1.00 0.00 N ATOM 0 H GLN A 50 -2.215 3.855 8.023 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.107 5.782 8.820 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.340 3.457 10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.402 3.604 10.343 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -0.272 6.199 10.815 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -1.742 5.432 11.382 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.817 4.766 13.384 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.439 4.416 14.434 1.00 0.00 H new ATOM 746 N VAL A 51 1.484 4.708 7.313 1.00 0.00 N ATOM 747 CA VAL A 51 2.486 4.105 6.451 1.00 0.00 C ATOM 748 C VAL A 51 3.877 4.558 6.898 1.00 0.00 C ATOM 749 O VAL A 51 4.085 5.732 7.197 1.00 0.00 O ATOM 750 CB VAL A 51 2.189 4.441 4.988 1.00 0.00 C ATOM 751 CG1 VAL A 51 1.610 5.851 4.856 1.00 0.00 C ATOM 752 CG2 VAL A 51 3.440 4.279 4.123 1.00 0.00 C ATOM 0 H VAL A 51 1.594 5.712 7.457 1.00 0.00 H new ATOM 0 HA VAL A 51 2.456 3.019 6.533 1.00 0.00 H new ATOM 0 HB VAL A 51 1.440 3.736 4.628 1.00 0.00 H new ATOM 0 HG11 VAL A 51 1.408 6.065 3.806 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.683 5.918 5.425 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.326 6.576 5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 51 3.201 4.524 3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.221 4.949 4.483 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.791 3.249 4.180 1.00 0.00 H new ATOM 762 N HIS A 52 4.794 3.602 6.929 1.00 0.00 N ATOM 763 CA HIS A 52 6.160 3.887 7.335 1.00 0.00 C ATOM 764 C HIS A 52 7.126 3.434 6.239 1.00 0.00 C ATOM 765 O HIS A 52 6.980 2.342 5.690 1.00 0.00 O ATOM 766 CB HIS A 52 6.466 3.256 8.694 1.00 0.00 C ATOM 767 CG HIS A 52 7.816 3.633 9.256 1.00 0.00 C ATOM 768 ND1 HIS A 52 8.646 2.724 9.889 1.00 0.00 N ATOM 769 CD2 HIS A 52 8.472 4.829 9.273 1.00 0.00 C ATOM 770 CE1 HIS A 52 9.748 3.355 10.266 1.00 0.00 C ATOM 771 NE2 HIS A 52 9.638 4.660 9.884 1.00 0.00 N ATOM 0 H HIS A 52 4.618 2.629 6.679 1.00 0.00 H new ATOM 0 HA HIS A 52 6.289 4.962 7.462 1.00 0.00 H new ATOM 0 HB2 HIS A 52 5.693 3.552 9.403 1.00 0.00 H new ATOM 0 HB3 HIS A 52 6.413 2.171 8.600 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.105 5.756 8.859 1.00 0.00 H new ATOM 0 HE1 HIS A 52 10.586 2.914 10.785 1.00 0.00 H new ATOM 0 HE2 HIS A 52 10.337 5.386 10.042 1.00 0.00 H new ATOM 779 N PHE A 53 8.091 4.295 5.952 1.00 0.00 N ATOM 780 CA PHE A 53 9.082 3.997 4.931 1.00 0.00 C ATOM 781 C PHE A 53 10.403 3.554 5.562 1.00 0.00 C ATOM 782 O PHE A 53 10.772 4.027 6.636 1.00 0.00 O ATOM 783 CB PHE A 53 9.314 5.287 4.143 1.00 0.00 C ATOM 784 CG PHE A 53 8.057 5.836 3.464 1.00 0.00 C ATOM 785 CD1 PHE A 53 7.293 5.022 2.688 1.00 0.00 C ATOM 786 CD2 PHE A 53 7.705 7.138 3.637 1.00 0.00 C ATOM 787 CE1 PHE A 53 6.127 5.532 2.057 1.00 0.00 C ATOM 788 CE2 PHE A 53 6.539 7.648 3.007 1.00 0.00 C ATOM 789 CZ PHE A 53 5.775 6.834 2.230 1.00 0.00 C ATOM 0 H PHE A 53 8.208 5.200 6.409 1.00 0.00 H new ATOM 0 HA PHE A 53 8.727 3.189 4.292 1.00 0.00 H new ATOM 0 HB2 PHE A 53 9.711 6.046 4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 53 10.075 5.105 3.384 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.573 3.988 2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.312 7.784 4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.520 4.886 1.440 1.00 0.00 H new ATOM 0 HE2 PHE A 53 6.259 8.682 3.145 1.00 0.00 H new ATOM 0 HZ PHE A 53 4.889 7.222 1.750 1.00 0.00 H new ATOM 799 N THR A 54 11.080 2.650 4.869 1.00 0.00 N ATOM 800 CA THR A 54 12.353 2.138 5.348 1.00 0.00 C ATOM 801 C THR A 54 13.416 2.244 4.253 1.00 0.00 C ATOM 802 O THR A 54 13.217 2.934 3.254 1.00 0.00 O ATOM 803 CB THR A 54 12.130 0.707 5.842 1.00 0.00 C ATOM 804 OG1 THR A 54 11.216 0.152 4.901 1.00 0.00 O ATOM 805 CG2 THR A 54 11.373 0.658 7.171 1.00 0.00 C ATOM 0 H THR A 54 10.771 2.259 3.979 1.00 0.00 H new ATOM 0 HA THR A 54 12.730 2.731 6.182 1.00 0.00 H new ATOM 0 HB THR A 54 13.093 0.208 5.954 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.440 0.469 4.001 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.241 -0.380 7.477 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.941 1.191 7.933 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.397 1.128 7.051 1.00 0.00 H new ATOM 813 N GLU A 55 14.523 1.551 4.478 1.00 0.00 N ATOM 814 CA GLU A 55 15.618 1.559 3.524 1.00 0.00 C ATOM 815 C GLU A 55 15.322 0.601 2.368 1.00 0.00 C ATOM 816 O GLU A 55 15.661 0.883 1.220 1.00 0.00 O ATOM 817 CB GLU A 55 16.941 1.204 4.205 1.00 0.00 C ATOM 818 CG GLU A 55 17.430 -0.178 3.768 1.00 0.00 C ATOM 819 CD GLU A 55 18.603 -0.644 4.633 1.00 0.00 C ATOM 820 OE1 GLU A 55 19.728 -0.167 4.367 1.00 0.00 O ATOM 821 OE2 GLU A 55 18.349 -1.465 5.539 1.00 0.00 O ATOM 0 H GLU A 55 14.685 0.980 5.308 1.00 0.00 H new ATOM 0 HA GLU A 55 15.714 2.567 3.120 1.00 0.00 H new ATOM 0 HB2 GLU A 55 17.693 1.954 3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 55 16.813 1.223 5.287 1.00 0.00 H new ATOM 0 HG2 GLU A 55 16.613 -0.896 3.840 1.00 0.00 H new ATOM 0 HG3 GLU A 55 17.735 -0.146 2.722 1.00 0.00 H new ATOM 828 N ARG A 56 14.692 -0.513 2.712 1.00 0.00 N ATOM 829 CA ARG A 56 14.347 -1.515 1.718 1.00 0.00 C ATOM 830 C ARG A 56 13.000 -2.156 2.057 1.00 0.00 C ATOM 831 O ARG A 56 12.891 -3.380 2.128 1.00 0.00 O ATOM 832 CB ARG A 56 15.418 -2.605 1.639 1.00 0.00 C ATOM 833 CG ARG A 56 16.711 -2.061 1.031 1.00 0.00 C ATOM 834 CD ARG A 56 16.770 -2.337 -0.472 1.00 0.00 C ATOM 835 NE ARG A 56 17.292 -3.700 -0.716 1.00 0.00 N ATOM 836 CZ ARG A 56 18.591 -4.025 -0.676 1.00 0.00 C ATOM 837 NH1 ARG A 56 19.508 -3.088 -0.402 1.00 0.00 N ATOM 838 NH2 ARG A 56 18.973 -5.288 -0.911 1.00 0.00 N ATOM 0 H ARG A 56 14.412 -0.744 3.665 1.00 0.00 H new ATOM 0 HA ARG A 56 14.283 -1.015 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.618 -2.996 2.637 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.051 -3.437 1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.778 -0.988 1.210 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.569 -2.520 1.522 1.00 0.00 H new ATOM 0 HD2 ARG A 56 15.776 -2.236 -0.908 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.409 -1.601 -0.960 1.00 0.00 H new ATOM 0 HE ARG A 56 16.621 -4.438 -0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.217 -2.127 -0.224 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.497 -3.336 -0.372 1.00 0.00 H new ATOM 0 HH21 ARG A 56 18.275 -6.001 -1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 56 19.962 -5.536 -0.881 1.00 0.00 H new ATOM 852 N SER A 57 12.007 -1.302 2.256 1.00 0.00 N ATOM 853 CA SER A 57 10.671 -1.770 2.585 1.00 0.00 C ATOM 854 C SER A 57 9.750 -0.578 2.850 1.00 0.00 C ATOM 855 O SER A 57 10.195 0.569 2.843 1.00 0.00 O ATOM 856 CB SER A 57 10.698 -2.700 3.799 1.00 0.00 C ATOM 857 OG SER A 57 10.361 -2.016 5.003 1.00 0.00 O ATOM 0 H SER A 57 12.101 -0.288 2.196 1.00 0.00 H new ATOM 0 HA SER A 57 10.287 -2.336 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 57 10.000 -3.522 3.642 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.691 -3.139 3.897 1.00 0.00 H new ATOM 0 HG SER A 57 10.882 -1.189 5.066 1.00 0.00 H new ATOM 863 N PHE A 58 8.482 -0.889 3.077 1.00 0.00 N ATOM 864 CA PHE A 58 7.494 0.142 3.344 1.00 0.00 C ATOM 865 C PHE A 58 6.158 -0.474 3.765 1.00 0.00 C ATOM 866 O PHE A 58 5.622 -1.336 3.071 1.00 0.00 O ATOM 867 CB PHE A 58 7.296 0.919 2.040 1.00 0.00 C ATOM 868 CG PHE A 58 6.062 0.491 1.243 1.00 0.00 C ATOM 869 CD1 PHE A 58 4.818 0.712 1.745 1.00 0.00 C ATOM 870 CD2 PHE A 58 6.210 -0.109 0.032 1.00 0.00 C ATOM 871 CE1 PHE A 58 3.673 0.316 1.005 1.00 0.00 C ATOM 872 CE2 PHE A 58 5.065 -0.506 -0.708 1.00 0.00 C ATOM 873 CZ PHE A 58 3.820 -0.285 -0.206 1.00 0.00 C ATOM 0 H PHE A 58 8.116 -1.841 3.081 1.00 0.00 H new ATOM 0 HA PHE A 58 7.837 0.786 4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.217 1.981 2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 58 8.181 0.793 1.416 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.701 1.189 2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.198 -0.284 -0.367 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.685 0.492 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 58 5.182 -0.983 -1.670 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.949 -0.587 -0.769 1.00 0.00 H new ATOM 883 N ASP A 59 5.659 -0.007 4.900 1.00 0.00 N ATOM 884 CA ASP A 59 4.397 -0.501 5.421 1.00 0.00 C ATOM 885 C ASP A 59 3.312 0.557 5.208 1.00 0.00 C ATOM 886 O ASP A 59 3.585 1.754 5.283 1.00 0.00 O ATOM 887 CB ASP A 59 4.493 -0.783 6.922 1.00 0.00 C ATOM 888 CG ASP A 59 5.244 0.276 7.732 1.00 0.00 C ATOM 889 OD1 ASP A 59 6.491 0.189 7.762 1.00 0.00 O ATOM 890 OD2 ASP A 59 4.554 1.148 8.303 1.00 0.00 O ATOM 0 H ASP A 59 6.106 0.708 5.473 1.00 0.00 H new ATOM 0 HA ASP A 59 4.154 -1.424 4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.484 -0.878 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.985 -1.745 7.065 1.00 0.00 H new ATOM 895 N LEU A 60 2.106 0.077 4.946 1.00 0.00 N ATOM 896 CA LEU A 60 0.979 0.967 4.721 1.00 0.00 C ATOM 897 C LEU A 60 -0.279 0.356 5.342 1.00 0.00 C ATOM 898 O LEU A 60 -0.725 -0.712 4.925 1.00 0.00 O ATOM 899 CB LEU A 60 0.838 1.286 3.232 1.00 0.00 C ATOM 900 CG LEU A 60 -0.145 2.404 2.876 1.00 0.00 C ATOM 901 CD1 LEU A 60 -0.899 2.080 1.585 1.00 0.00 C ATOM 902 CD2 LEU A 60 -1.097 2.688 4.040 1.00 0.00 C ATOM 0 H LEU A 60 1.884 -0.917 4.884 1.00 0.00 H new ATOM 0 HA LEU A 60 1.145 1.925 5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.820 1.555 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.528 0.378 2.714 1.00 0.00 H new ATOM 0 HG LEU A 60 0.425 3.316 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.591 2.890 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.188 1.967 0.767 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.456 1.152 1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.785 3.486 3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.663 1.787 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.522 2.994 4.914 1.00 0.00 H new ATOM 914 N LEU A 61 -0.816 1.061 6.327 1.00 0.00 N ATOM 915 CA LEU A 61 -2.015 0.601 7.008 1.00 0.00 C ATOM 916 C LEU A 61 -3.185 1.517 6.645 1.00 0.00 C ATOM 917 O LEU A 61 -2.996 2.709 6.409 1.00 0.00 O ATOM 918 CB LEU A 61 -1.765 0.489 8.514 1.00 0.00 C ATOM 919 CG LEU A 61 -3.012 0.375 9.393 1.00 0.00 C ATOM 920 CD1 LEU A 61 -3.835 1.663 9.348 1.00 0.00 C ATOM 921 CD2 LEU A 61 -3.843 -0.851 9.009 1.00 0.00 C ATOM 0 H LEU A 61 -0.443 1.947 6.670 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.281 -0.403 6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.136 -0.383 8.694 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.197 1.363 8.834 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.691 0.236 10.425 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.715 1.555 9.981 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.229 2.495 9.708 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.148 1.859 8.322 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.723 -0.909 9.649 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.156 -0.767 7.968 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.243 -1.752 9.136 1.00 0.00 H new ATOM 933 N VAL A 62 -4.370 0.925 6.613 1.00 0.00 N ATOM 934 CA VAL A 62 -5.572 1.672 6.283 1.00 0.00 C ATOM 935 C VAL A 62 -6.731 1.174 7.148 1.00 0.00 C ATOM 936 O VAL A 62 -7.219 0.061 6.958 1.00 0.00 O ATOM 937 CB VAL A 62 -5.857 1.568 4.783 1.00 0.00 C ATOM 938 CG1 VAL A 62 -7.198 2.218 4.434 1.00 0.00 C ATOM 939 CG2 VAL A 62 -4.720 2.182 3.965 1.00 0.00 C ATOM 0 H VAL A 62 -4.523 -0.064 6.810 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.436 2.731 6.502 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.920 0.511 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.377 2.131 3.362 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -7.998 1.716 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.175 3.271 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.948 2.095 2.903 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.610 3.234 4.227 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.791 1.655 4.181 1.00 0.00 H new ATOM 949 N LYS A 63 -7.139 2.023 8.081 1.00 0.00 N ATOM 950 CA LYS A 63 -8.231 1.683 8.976 1.00 0.00 C ATOM 951 C LYS A 63 -9.484 2.458 8.562 1.00 0.00 C ATOM 952 O LYS A 63 -9.391 3.470 7.870 1.00 0.00 O ATOM 953 CB LYS A 63 -7.821 1.909 10.432 1.00 0.00 C ATOM 954 CG LYS A 63 -7.615 0.578 11.158 1.00 0.00 C ATOM 955 CD LYS A 63 -6.287 0.567 11.917 1.00 0.00 C ATOM 956 CE LYS A 63 -5.637 -0.817 11.864 1.00 0.00 C ATOM 957 NZ LYS A 63 -5.829 -1.530 13.147 1.00 0.00 N ATOM 0 H LYS A 63 -6.732 2.946 8.236 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.471 0.623 8.898 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.901 2.493 10.468 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.588 2.491 10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.437 0.408 11.854 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.633 -0.240 10.438 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.612 1.307 11.487 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.455 0.854 12.955 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.071 -1.398 11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.572 -0.717 11.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.382 -2.467 13.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.394 -0.982 13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.846 -1.642 13.333 1.00 0.00 H new ATOM 971 N ASN A 64 -10.626 1.952 9.003 1.00 0.00 N ATOM 972 CA ASN A 64 -11.896 2.584 8.687 1.00 0.00 C ATOM 973 C ASN A 64 -11.913 2.972 7.207 1.00 0.00 C ATOM 974 O ASN A 64 -11.437 4.044 6.838 1.00 0.00 O ATOM 975 CB ASN A 64 -12.098 3.857 9.512 1.00 0.00 C ATOM 976 CG ASN A 64 -13.575 4.060 9.853 1.00 0.00 C ATOM 977 OD1 ASN A 64 -14.452 3.362 9.372 1.00 0.00 O ATOM 978 ND2 ASN A 64 -13.801 5.054 10.708 1.00 0.00 N ATOM 0 H ASN A 64 -10.699 1.112 9.577 1.00 0.00 H new ATOM 0 HA ASN A 64 -12.692 1.875 8.917 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -11.514 3.796 10.430 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.728 4.718 8.955 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.755 5.270 10.998 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -13.021 5.600 11.073 1.00 0.00 H new ATOM 985 N LEU A 65 -12.467 2.079 6.401 1.00 0.00 N ATOM 986 CA LEU A 65 -12.553 2.315 4.970 1.00 0.00 C ATOM 987 C LEU A 65 -13.977 2.021 4.493 1.00 0.00 C ATOM 988 O LEU A 65 -14.946 2.418 5.139 1.00 0.00 O ATOM 989 CB LEU A 65 -11.479 1.514 4.230 1.00 0.00 C ATOM 990 CG LEU A 65 -11.111 2.018 2.833 1.00 0.00 C ATOM 991 CD1 LEU A 65 -11.848 3.318 2.506 1.00 0.00 C ATOM 992 CD2 LEU A 65 -9.595 2.166 2.685 1.00 0.00 C ATOM 0 H LEU A 65 -12.861 1.191 6.711 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.351 3.362 4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.576 1.504 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -11.818 0.482 4.145 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.435 1.273 2.106 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.568 3.654 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -12.924 3.145 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.578 4.082 3.235 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.361 2.526 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.225 2.879 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.118 1.199 2.844 1.00 0.00 H new ATOM 1004 N ASN A 66 -14.059 1.329 3.366 1.00 0.00 N ATOM 1005 CA ASN A 66 -15.348 0.977 2.796 1.00 0.00 C ATOM 1006 C ASN A 66 -16.028 -0.064 3.687 1.00 0.00 C ATOM 1007 O ASN A 66 -16.152 -1.227 3.305 1.00 0.00 O ATOM 1008 CB ASN A 66 -15.186 0.372 1.400 1.00 0.00 C ATOM 1009 CG ASN A 66 -16.335 0.795 0.483 1.00 0.00 C ATOM 1010 OD1 ASN A 66 -16.254 2.053 0.059 1.00 0.00 O flip ATOM 1011 ND2 ASN A 66 -17.235 0.029 0.179 1.00 0.00 N flip ATOM 0 H ASN A 66 -13.253 1.003 2.832 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.946 1.886 2.728 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -14.236 0.690 0.970 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -15.155 -0.715 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -17.237 -0.925 0.540 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -17.986 0.343 -0.436 1.00 0.00 H new ATOM 1018 N GLY A 67 -16.452 0.391 4.857 1.00 0.00 N ATOM 1019 CA GLY A 67 -17.116 -0.486 5.805 1.00 0.00 C ATOM 1020 C GLY A 67 -16.161 -1.568 6.314 1.00 0.00 C ATOM 1021 O GLY A 67 -16.599 -2.606 6.808 1.00 0.00 O ATOM 0 H GLY A 67 -16.348 1.356 5.170 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -17.490 0.098 6.646 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -17.980 -0.952 5.331 1.00 0.00 H new ATOM 1025 N LYS A 68 -14.874 -1.288 6.175 1.00 0.00 N ATOM 1026 CA LYS A 68 -13.853 -2.224 6.615 1.00 0.00 C ATOM 1027 C LYS A 68 -12.487 -1.536 6.579 1.00 0.00 C ATOM 1028 O LYS A 68 -12.380 -0.380 6.172 1.00 0.00 O ATOM 1029 CB LYS A 68 -13.915 -3.511 5.790 1.00 0.00 C ATOM 1030 CG LYS A 68 -14.472 -3.239 4.391 1.00 0.00 C ATOM 1031 CD LYS A 68 -13.732 -4.064 3.336 1.00 0.00 C ATOM 1032 CE LYS A 68 -13.842 -5.561 3.634 1.00 0.00 C ATOM 1033 NZ LYS A 68 -13.481 -6.355 2.438 1.00 0.00 N ATOM 0 H LYS A 68 -14.514 -0.426 5.764 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.032 -2.525 7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.918 -3.945 5.710 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -14.542 -4.244 6.299 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -15.535 -3.479 4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -14.379 -2.178 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.146 -3.855 2.350 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -12.682 -3.771 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -13.185 -5.822 4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.858 -5.802 3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.445 -7.364 2.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -14.194 -6.208 1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.549 -6.052 2.088 1.00 0.00 H new ATOM 1047 N SER A 69 -11.476 -2.276 7.010 1.00 0.00 N ATOM 1048 CA SER A 69 -10.121 -1.752 7.032 1.00 0.00 C ATOM 1049 C SER A 69 -9.219 -2.593 6.126 1.00 0.00 C ATOM 1050 O SER A 69 -9.499 -3.765 5.882 1.00 0.00 O ATOM 1051 CB SER A 69 -9.564 -1.724 8.457 1.00 0.00 C ATOM 1052 OG SER A 69 -9.843 -2.931 9.163 1.00 0.00 O ATOM 0 H SER A 69 -11.568 -3.234 7.347 1.00 0.00 H new ATOM 0 HA SER A 69 -10.145 -0.728 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.486 -1.565 8.422 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.993 -0.880 8.998 1.00 0.00 H new ATOM 0 HG SER A 69 -9.614 -2.817 10.109 1.00 0.00 H new ATOM 1058 N TYR A 70 -8.156 -1.961 5.652 1.00 0.00 N ATOM 1059 CA TYR A 70 -7.211 -2.636 4.778 1.00 0.00 C ATOM 1060 C TYR A 70 -5.772 -2.401 5.241 1.00 0.00 C ATOM 1061 O TYR A 70 -5.448 -1.332 5.754 1.00 0.00 O ATOM 1062 CB TYR A 70 -7.398 -2.012 3.394 1.00 0.00 C ATOM 1063 CG TYR A 70 -8.763 -2.295 2.763 1.00 0.00 C ATOM 1064 CD1 TYR A 70 -9.893 -1.678 3.259 1.00 0.00 C ATOM 1065 CD2 TYR A 70 -8.863 -3.166 1.697 1.00 0.00 C ATOM 1066 CE1 TYR A 70 -11.178 -1.944 2.666 1.00 0.00 C ATOM 1067 CE2 TYR A 70 -10.148 -3.431 1.103 1.00 0.00 C ATOM 1068 CZ TYR A 70 -11.242 -2.807 1.617 1.00 0.00 C ATOM 1069 OH TYR A 70 -12.455 -3.058 1.056 1.00 0.00 O ATOM 0 H TYR A 70 -7.928 -0.988 5.857 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.387 -3.712 4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -7.262 -0.933 3.472 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.618 -2.385 2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -9.814 -0.995 4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.978 -3.648 1.309 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -12.071 -1.469 3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -10.241 -4.110 0.268 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.348 -3.692 0.316 1.00 0.00 H new ATOM 1079 N SER A 71 -4.947 -3.419 5.042 1.00 0.00 N ATOM 1080 CA SER A 71 -3.550 -3.337 5.433 1.00 0.00 C ATOM 1081 C SER A 71 -2.655 -3.770 4.269 1.00 0.00 C ATOM 1082 O SER A 71 -2.993 -4.696 3.533 1.00 0.00 O ATOM 1083 CB SER A 71 -3.271 -4.199 6.665 1.00 0.00 C ATOM 1084 OG SER A 71 -3.682 -5.550 6.476 1.00 0.00 O ATOM 0 H SER A 71 -5.219 -4.304 4.615 1.00 0.00 H new ATOM 0 HA SER A 71 -3.327 -2.301 5.690 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.205 -4.173 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.791 -3.779 7.526 1.00 0.00 H new ATOM 0 HG SER A 71 -4.541 -5.568 6.005 1.00 0.00 H new ATOM 1090 N MET A 72 -1.532 -3.079 4.139 1.00 0.00 N ATOM 1091 CA MET A 72 -0.587 -3.380 3.078 1.00 0.00 C ATOM 1092 C MET A 72 0.846 -3.066 3.514 1.00 0.00 C ATOM 1093 O MET A 72 1.152 -1.933 3.883 1.00 0.00 O ATOM 1094 CB MET A 72 -0.934 -2.557 1.836 1.00 0.00 C ATOM 1095 CG MET A 72 0.250 -2.498 0.868 1.00 0.00 C ATOM 1096 SD MET A 72 -0.318 -2.057 -0.765 1.00 0.00 S ATOM 1097 CE MET A 72 0.244 -3.480 -1.684 1.00 0.00 C ATOM 0 H MET A 72 -1.256 -2.311 4.751 1.00 0.00 H new ATOM 0 HA MET A 72 -0.653 -4.444 2.850 1.00 0.00 H new ATOM 0 HB2 MET A 72 -1.797 -2.995 1.334 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.217 -1.547 2.132 1.00 0.00 H new ATOM 0 HG2 MET A 72 0.980 -1.768 1.218 1.00 0.00 H new ATOM 0 HG3 MET A 72 0.754 -3.464 0.838 1.00 0.00 H new ATOM 0 HE1 MET A 72 0.619 -3.160 -2.656 1.00 0.00 H new ATOM 0 HE2 MET A 72 1.042 -3.977 -1.133 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.585 -4.173 -1.825 1.00 0.00 H new ATOM 1107 N ILE A 73 1.685 -4.090 3.459 1.00 0.00 N ATOM 1108 CA ILE A 73 3.078 -3.938 3.844 1.00 0.00 C ATOM 1109 C ILE A 73 3.964 -4.672 2.836 1.00 0.00 C ATOM 1110 O ILE A 73 3.579 -5.715 2.309 1.00 0.00 O ATOM 1111 CB ILE A 73 3.286 -4.390 5.290 1.00 0.00 C ATOM 1112 CG1 ILE A 73 2.574 -3.452 6.267 1.00 0.00 C ATOM 1113 CG2 ILE A 73 4.776 -4.529 5.612 1.00 0.00 C ATOM 1114 CD1 ILE A 73 3.108 -3.633 7.689 1.00 0.00 C ATOM 0 H ILE A 73 1.427 -5.028 3.154 1.00 0.00 H new ATOM 0 HA ILE A 73 3.368 -2.888 3.818 1.00 0.00 H new ATOM 0 HB ILE A 73 2.837 -5.376 5.407 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.714 -2.418 5.951 1.00 0.00 H new ATOM 0 HG13 ILE A 73 1.502 -3.649 6.250 1.00 0.00 H new ATOM 0 HG21 ILE A 73 4.896 -4.852 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.225 -5.267 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.270 -3.567 5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 73 2.585 -2.955 8.363 1.00 0.00 H new ATOM 0 HD12 ILE A 73 2.945 -4.662 8.011 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.175 -3.412 7.708 1.00 0.00 H new ATOM 1126 N VAL A 74 5.134 -4.099 2.597 1.00 0.00 N ATOM 1127 CA VAL A 74 6.079 -4.686 1.662 1.00 0.00 C ATOM 1128 C VAL A 74 7.443 -4.823 2.340 1.00 0.00 C ATOM 1129 O VAL A 74 8.011 -3.836 2.805 1.00 0.00 O ATOM 1130 CB VAL A 74 6.129 -3.854 0.378 1.00 0.00 C ATOM 1131 CG1 VAL A 74 4.797 -3.142 0.133 1.00 0.00 C ATOM 1132 CG2 VAL A 74 7.286 -2.853 0.419 1.00 0.00 C ATOM 0 H VAL A 74 5.450 -3.234 3.035 1.00 0.00 H new ATOM 0 HA VAL A 74 5.759 -5.687 1.373 1.00 0.00 H new ATOM 0 HB VAL A 74 6.303 -4.534 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 74 4.860 -2.558 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.001 -3.881 0.039 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.580 -2.479 0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.299 -2.274 -0.505 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.155 -2.180 1.267 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.228 -3.390 0.524 1.00 0.00 H new ATOM 1142 N ASN A 75 7.930 -6.054 2.374 1.00 0.00 N ATOM 1143 CA ASN A 75 9.218 -6.333 2.987 1.00 0.00 C ATOM 1144 C ASN A 75 10.181 -6.860 1.922 1.00 0.00 C ATOM 1145 O ASN A 75 9.866 -7.813 1.212 1.00 0.00 O ATOM 1146 CB ASN A 75 9.089 -7.399 4.077 1.00 0.00 C ATOM 1147 CG ASN A 75 8.243 -6.889 5.246 1.00 0.00 C ATOM 1148 OD1 ASN A 75 6.937 -6.862 4.997 1.00 0.00 O flip ATOM 1149 ND2 ASN A 75 8.743 -6.543 6.303 1.00 0.00 N flip ATOM 0 H ASN A 75 7.456 -6.870 1.987 1.00 0.00 H new ATOM 0 HA ASN A 75 9.589 -5.408 3.429 1.00 0.00 H new ATOM 0 HB2 ASN A 75 8.635 -8.298 3.660 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.079 -7.679 4.435 1.00 0.00 H new ATOM 0 HD21 ASN A 75 9.754 -6.589 6.428 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.150 -6.208 7.062 1.00 0.00 H new ATOM 1156 N ASN A 76 11.337 -6.217 1.846 1.00 0.00 N ATOM 1157 CA ASN A 76 12.349 -6.609 0.879 1.00 0.00 C ATOM 1158 C ASN A 76 12.031 -5.969 -0.473 1.00 0.00 C ATOM 1159 O ASN A 76 11.227 -6.496 -1.240 1.00 0.00 O ATOM 1160 CB ASN A 76 12.372 -8.127 0.691 1.00 0.00 C ATOM 1161 CG ASN A 76 12.164 -8.848 2.024 1.00 0.00 C ATOM 1162 OD1 ASN A 76 12.430 -8.323 3.092 1.00 0.00 O ATOM 1163 ND2 ASN A 76 11.674 -10.079 1.902 1.00 0.00 N ATOM 0 H ASN A 76 11.595 -5.428 2.438 1.00 0.00 H new ATOM 0 HA ASN A 76 13.318 -6.277 1.252 1.00 0.00 H new ATOM 0 HB2 ASN A 76 11.592 -8.422 -0.011 1.00 0.00 H new ATOM 0 HB3 ASN A 76 13.324 -8.429 0.255 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.499 -10.643 2.734 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.473 -10.459 0.977 1.00 0.00 H new ATOM 1170 N LEU A 77 12.679 -4.841 -0.725 1.00 0.00 N ATOM 1171 CA LEU A 77 12.476 -4.123 -1.972 1.00 0.00 C ATOM 1172 C LEU A 77 13.680 -4.349 -2.888 1.00 0.00 C ATOM 1173 O LEU A 77 14.825 -4.277 -2.443 1.00 0.00 O ATOM 1174 CB LEU A 77 12.179 -2.647 -1.699 1.00 0.00 C ATOM 1175 CG LEU A 77 10.906 -2.355 -0.903 1.00 0.00 C ATOM 1176 CD1 LEU A 77 10.917 -0.927 -0.355 1.00 0.00 C ATOM 1177 CD2 LEU A 77 9.658 -2.638 -1.742 1.00 0.00 C ATOM 0 H LEU A 77 13.345 -4.406 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 77 11.601 -4.509 -2.495 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.026 -2.220 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 77 12.113 -2.127 -2.655 1.00 0.00 H new ATOM 0 HG LEU A 77 10.877 -3.028 -0.046 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.001 -0.746 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.777 -0.796 0.302 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.981 -0.220 -1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.767 -2.422 -1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.667 -2.007 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 77 9.650 -3.686 -2.041 1.00 0.00 H new ATOM 1189 N LEU A 78 13.382 -4.617 -4.151 1.00 0.00 N ATOM 1190 CA LEU A 78 14.426 -4.854 -5.133 1.00 0.00 C ATOM 1191 C LEU A 78 15.590 -3.895 -4.874 1.00 0.00 C ATOM 1192 O LEU A 78 16.745 -4.315 -4.826 1.00 0.00 O ATOM 1193 CB LEU A 78 13.858 -4.764 -6.551 1.00 0.00 C ATOM 1194 CG LEU A 78 14.597 -5.569 -7.622 1.00 0.00 C ATOM 1195 CD1 LEU A 78 14.480 -7.071 -7.356 1.00 0.00 C ATOM 1196 CD2 LEU A 78 14.109 -5.195 -9.023 1.00 0.00 C ATOM 0 H LEU A 78 12.432 -4.675 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 78 14.819 -5.866 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 78 12.820 -5.096 -6.527 1.00 0.00 H new ATOM 0 HB3 LEU A 78 13.851 -3.717 -6.852 1.00 0.00 H new ATOM 0 HG LEU A 78 15.656 -5.314 -7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.014 -7.620 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.913 -7.303 -6.383 1.00 0.00 H new ATOM 0 HD13 LEU A 78 13.429 -7.361 -7.364 1.00 0.00 H new ATOM 0 HD21 LEU A 78 14.650 -5.781 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 78 13.042 -5.403 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 78 14.287 -4.134 -9.199 1.00 0.00 H new ATOM 1208 N LYS A 79 15.245 -2.626 -4.715 1.00 0.00 N ATOM 1209 CA LYS A 79 16.247 -1.604 -4.462 1.00 0.00 C ATOM 1210 C LYS A 79 15.848 -0.799 -3.224 1.00 0.00 C ATOM 1211 O LYS A 79 14.682 -0.797 -2.830 1.00 0.00 O ATOM 1212 CB LYS A 79 16.463 -0.746 -5.710 1.00 0.00 C ATOM 1213 CG LYS A 79 16.597 -1.619 -6.960 1.00 0.00 C ATOM 1214 CD LYS A 79 18.067 -1.906 -7.274 1.00 0.00 C ATOM 1215 CE LYS A 79 18.208 -3.148 -8.156 1.00 0.00 C ATOM 1216 NZ LYS A 79 19.458 -3.872 -7.835 1.00 0.00 N ATOM 0 H LYS A 79 14.286 -2.282 -4.756 1.00 0.00 H new ATOM 0 HA LYS A 79 17.212 -2.062 -4.247 1.00 0.00 H new ATOM 0 HB2 LYS A 79 15.627 -0.057 -5.831 1.00 0.00 H new ATOM 0 HB3 LYS A 79 17.360 -0.140 -5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.063 -2.558 -6.811 1.00 0.00 H new ATOM 0 HG3 LYS A 79 16.131 -1.119 -7.809 1.00 0.00 H new ATOM 0 HD2 LYS A 79 18.509 -1.046 -7.777 1.00 0.00 H new ATOM 0 HD3 LYS A 79 18.619 -2.051 -6.345 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.351 -3.806 -8.008 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.209 -2.857 -9.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 19.538 -4.712 -8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 20.273 -3.247 -7.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 19.442 -4.166 -6.838 1.00 0.00 H new ATOM 1230 N PRO A 80 16.863 -0.118 -2.630 1.00 0.00 N ATOM 1231 CA PRO A 80 16.630 0.690 -1.444 1.00 0.00 C ATOM 1232 C PRO A 80 15.916 1.995 -1.802 1.00 0.00 C ATOM 1233 O PRO A 80 15.822 2.354 -2.974 1.00 0.00 O ATOM 1234 CB PRO A 80 18.007 0.911 -0.841 1.00 0.00 C ATOM 1235 CG PRO A 80 19.001 0.619 -1.954 1.00 0.00 C ATOM 1236 CD PRO A 80 18.255 -0.097 -3.068 1.00 0.00 C ATOM 0 HA PRO A 80 15.970 0.203 -0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 80 18.115 1.933 -0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 80 18.170 0.252 0.012 1.00 0.00 H new ATOM 0 HG2 PRO A 80 19.443 1.544 -2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 80 19.819 0.001 -1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 80 18.363 0.427 -4.017 1.00 0.00 H new ATOM 0 HD3 PRO A 80 18.639 -1.106 -3.216 1.00 0.00 H new ATOM 1244 N ILE A 81 15.432 2.669 -0.769 1.00 0.00 N ATOM 1245 CA ILE A 81 14.730 3.927 -0.960 1.00 0.00 C ATOM 1246 C ILE A 81 15.081 4.880 0.185 1.00 0.00 C ATOM 1247 O ILE A 81 15.445 4.441 1.274 1.00 0.00 O ATOM 1248 CB ILE A 81 13.228 3.684 -1.119 1.00 0.00 C ATOM 1249 CG1 ILE A 81 12.698 2.780 -0.004 1.00 0.00 C ATOM 1250 CG2 ILE A 81 12.907 3.129 -2.508 1.00 0.00 C ATOM 1251 CD1 ILE A 81 11.649 3.508 0.840 1.00 0.00 C ATOM 0 H ILE A 81 15.512 2.368 0.202 1.00 0.00 H new ATOM 0 HA ILE A 81 15.051 4.406 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 81 12.715 4.642 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 81 12.261 1.880 -0.437 1.00 0.00 H new ATOM 0 HG13 ILE A 81 13.523 2.459 0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.833 2.965 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 81 13.228 3.842 -3.268 1.00 0.00 H new ATOM 0 HG23 ILE A 81 13.431 2.184 -2.652 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.289 2.843 1.625 1.00 0.00 H new ATOM 0 HD12 ILE A 81 12.096 4.394 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.814 3.806 0.205 1.00 0.00 H new ATOM 1263 N SER A 82 14.958 6.168 -0.102 1.00 0.00 N ATOM 1264 CA SER A 82 15.258 7.187 0.890 1.00 0.00 C ATOM 1265 C SER A 82 14.004 7.508 1.706 1.00 0.00 C ATOM 1266 O SER A 82 13.103 8.192 1.223 1.00 0.00 O ATOM 1267 CB SER A 82 15.800 8.456 0.229 1.00 0.00 C ATOM 1268 OG SER A 82 17.224 8.511 0.267 1.00 0.00 O ATOM 0 H SER A 82 14.655 6.529 -1.007 1.00 0.00 H new ATOM 0 HA SER A 82 16.028 6.799 1.557 1.00 0.00 H new ATOM 0 HB2 SER A 82 15.463 8.498 -0.807 1.00 0.00 H new ATOM 0 HB3 SER A 82 15.390 9.331 0.733 1.00 0.00 H new ATOM 0 HG SER A 82 17.531 9.335 -0.166 1.00 0.00 H new ATOM 1274 N VAL A 83 13.986 6.998 2.929 1.00 0.00 N ATOM 1275 CA VAL A 83 12.857 7.222 3.816 1.00 0.00 C ATOM 1276 C VAL A 83 12.528 8.716 3.848 1.00 0.00 C ATOM 1277 O VAL A 83 11.461 9.129 3.395 1.00 0.00 O ATOM 1278 CB VAL A 83 13.159 6.647 5.201 1.00 0.00 C ATOM 1279 CG1 VAL A 83 12.167 7.172 6.241 1.00 0.00 C ATOM 1280 CG2 VAL A 83 13.162 5.117 5.171 1.00 0.00 C ATOM 0 H VAL A 83 14.735 6.431 3.326 1.00 0.00 H new ATOM 0 HA VAL A 83 11.972 6.702 3.448 1.00 0.00 H new ATOM 0 HB VAL A 83 14.156 6.979 5.491 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.404 6.748 7.217 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.234 8.259 6.292 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.155 6.884 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 83 13.379 4.734 6.168 1.00 0.00 H new ATOM 0 HG22 VAL A 83 12.185 4.757 4.849 1.00 0.00 H new ATOM 0 HG23 VAL A 83 13.924 4.768 4.474 1.00 0.00 H new ATOM 1290 N GLU A 84 13.463 9.484 4.387 1.00 0.00 N ATOM 1291 CA GLU A 84 13.285 10.923 4.484 1.00 0.00 C ATOM 1292 C GLU A 84 12.598 11.459 3.226 1.00 0.00 C ATOM 1293 O GLU A 84 11.598 12.169 3.316 1.00 0.00 O ATOM 1294 CB GLU A 84 14.623 11.626 4.721 1.00 0.00 C ATOM 1295 CG GLU A 84 15.116 11.400 6.151 1.00 0.00 C ATOM 1296 CD GLU A 84 16.389 12.203 6.425 1.00 0.00 C ATOM 1297 OE1 GLU A 84 16.247 13.408 6.723 1.00 0.00 O ATOM 1298 OE2 GLU A 84 17.476 11.593 6.332 1.00 0.00 O ATOM 0 H GLU A 84 14.346 9.137 4.761 1.00 0.00 H new ATOM 0 HA GLU A 84 12.645 11.134 5.341 1.00 0.00 H new ATOM 0 HB2 GLU A 84 15.364 11.253 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 84 14.514 12.694 4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 84 14.339 11.691 6.858 1.00 0.00 H new ATOM 0 HG3 GLU A 84 15.310 10.339 6.309 1.00 0.00 H new ATOM 1305 N GLY A 85 13.163 11.098 2.083 1.00 0.00 N ATOM 1306 CA GLY A 85 12.618 11.534 0.809 1.00 0.00 C ATOM 1307 C GLY A 85 11.272 10.861 0.529 1.00 0.00 C ATOM 1308 O GLY A 85 10.390 11.461 -0.083 1.00 0.00 O ATOM 0 H GLY A 85 13.993 10.509 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 85 12.493 12.617 0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.320 11.298 0.009 1.00 0.00 H new ATOM 1312 N SER A 86 11.157 9.625 0.992 1.00 0.00 N ATOM 1313 CA SER A 86 9.934 8.864 0.799 1.00 0.00 C ATOM 1314 C SER A 86 8.726 9.698 1.231 1.00 0.00 C ATOM 1315 O SER A 86 8.840 10.555 2.106 1.00 0.00 O ATOM 1316 CB SER A 86 9.976 7.548 1.578 1.00 0.00 C ATOM 1317 OG SER A 86 11.170 6.814 1.322 1.00 0.00 O ATOM 0 H SER A 86 11.891 9.131 1.500 1.00 0.00 H new ATOM 0 HA SER A 86 9.843 8.625 -0.261 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.900 7.756 2.645 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.112 6.940 1.309 1.00 0.00 H new ATOM 0 HG SER A 86 11.777 7.357 0.778 1.00 0.00 H new ATOM 1323 N SER A 87 7.597 9.418 0.596 1.00 0.00 N ATOM 1324 CA SER A 87 6.369 10.131 0.904 1.00 0.00 C ATOM 1325 C SER A 87 5.159 9.279 0.520 1.00 0.00 C ATOM 1326 O SER A 87 5.270 8.371 -0.303 1.00 0.00 O ATOM 1327 CB SER A 87 6.320 11.479 0.181 1.00 0.00 C ATOM 1328 OG SER A 87 7.595 12.116 0.151 1.00 0.00 O ATOM 0 H SER A 87 7.507 8.707 -0.130 1.00 0.00 H new ATOM 0 HA SER A 87 6.344 10.323 1.977 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.965 11.331 -0.839 1.00 0.00 H new ATOM 0 HB3 SER A 87 5.601 12.131 0.677 1.00 0.00 H new ATOM 0 HG SER A 87 7.522 12.972 -0.320 1.00 0.00 H new ATOM 1334 N LYS A 88 4.030 9.600 1.134 1.00 0.00 N ATOM 1335 CA LYS A 88 2.799 8.875 0.866 1.00 0.00 C ATOM 1336 C LYS A 88 1.745 9.847 0.333 1.00 0.00 C ATOM 1337 O LYS A 88 1.668 10.991 0.779 1.00 0.00 O ATOM 1338 CB LYS A 88 2.351 8.103 2.109 1.00 0.00 C ATOM 1339 CG LYS A 88 0.875 7.712 2.010 1.00 0.00 C ATOM 1340 CD LYS A 88 0.005 8.633 2.868 1.00 0.00 C ATOM 1341 CE LYS A 88 -1.190 7.874 3.448 1.00 0.00 C ATOM 1342 NZ LYS A 88 -2.380 8.751 3.511 1.00 0.00 N ATOM 0 H LYS A 88 3.941 10.353 1.817 1.00 0.00 H new ATOM 0 HA LYS A 88 2.960 8.124 0.093 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.961 7.207 2.224 1.00 0.00 H new ATOM 0 HB3 LYS A 88 2.510 8.714 2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.550 7.764 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.746 6.679 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.602 9.053 3.678 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.349 9.470 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -1.407 7.001 2.833 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.947 7.509 4.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -3.225 8.210 3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -2.497 9.109 4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.256 9.552 2.859 1.00 0.00 H new ATOM 1356 N LYS A 89 0.959 9.357 -0.614 1.00 0.00 N ATOM 1357 CA LYS A 89 -0.088 10.168 -1.213 1.00 0.00 C ATOM 1358 C LYS A 89 -1.360 9.329 -1.352 1.00 0.00 C ATOM 1359 O LYS A 89 -1.310 8.102 -1.276 1.00 0.00 O ATOM 1360 CB LYS A 89 0.395 10.777 -2.530 1.00 0.00 C ATOM 1361 CG LYS A 89 0.963 12.181 -2.310 1.00 0.00 C ATOM 1362 CD LYS A 89 0.427 13.160 -3.357 1.00 0.00 C ATOM 1363 CE LYS A 89 0.945 12.808 -4.752 1.00 0.00 C ATOM 1364 NZ LYS A 89 2.357 13.228 -4.902 1.00 0.00 N ATOM 0 H LYS A 89 1.026 8.408 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 89 -0.332 11.013 -0.569 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.159 10.137 -2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -0.432 10.822 -3.239 1.00 0.00 H new ATOM 0 HG2 LYS A 89 0.700 12.531 -1.312 1.00 0.00 H new ATOM 0 HG3 LYS A 89 2.051 12.149 -2.361 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -0.663 13.140 -3.354 1.00 0.00 H new ATOM 0 HD3 LYS A 89 0.728 14.175 -3.099 1.00 0.00 H new ATOM 0 HE2 LYS A 89 0.859 11.734 -4.918 1.00 0.00 H new ATOM 0 HE3 LYS A 89 0.331 13.297 -5.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 2.840 12.591 -5.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 2.393 14.201 -5.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 2.831 13.188 -3.977 1.00 0.00 H new ATOM 1378 N VAL A 90 -2.469 10.025 -1.553 1.00 0.00 N ATOM 1379 CA VAL A 90 -3.753 9.360 -1.704 1.00 0.00 C ATOM 1380 C VAL A 90 -4.512 9.986 -2.875 1.00 0.00 C ATOM 1381 O VAL A 90 -4.502 11.204 -3.045 1.00 0.00 O ATOM 1382 CB VAL A 90 -4.530 9.418 -0.387 1.00 0.00 C ATOM 1383 CG1 VAL A 90 -6.004 9.070 -0.605 1.00 0.00 C ATOM 1384 CG2 VAL A 90 -3.899 8.501 0.663 1.00 0.00 C ATOM 0 H VAL A 90 -2.506 11.042 -1.615 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.612 8.304 -1.936 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.479 10.440 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.534 9.119 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.446 9.781 -1.303 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.083 8.063 -1.014 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -4.471 8.561 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -3.905 7.474 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.872 8.814 0.850 1.00 0.00 H new ATOM 1394 N LYS A 91 -5.153 9.125 -3.651 1.00 0.00 N ATOM 1395 CA LYS A 91 -5.917 9.578 -4.801 1.00 0.00 C ATOM 1396 C LYS A 91 -7.376 9.147 -4.641 1.00 0.00 C ATOM 1397 O LYS A 91 -7.765 8.636 -3.592 1.00 0.00 O ATOM 1398 CB LYS A 91 -5.270 9.092 -6.099 1.00 0.00 C ATOM 1399 CG LYS A 91 -4.184 8.052 -5.815 1.00 0.00 C ATOM 1400 CD LYS A 91 -3.663 7.433 -7.114 1.00 0.00 C ATOM 1401 CE LYS A 91 -2.891 8.463 -7.941 1.00 0.00 C ATOM 1402 NZ LYS A 91 -3.202 8.311 -9.380 1.00 0.00 N ATOM 0 H LYS A 91 -5.159 8.115 -3.506 1.00 0.00 H new ATOM 0 HA LYS A 91 -5.911 10.667 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.031 8.660 -6.749 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -4.837 9.938 -6.633 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.361 8.519 -5.275 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.585 7.270 -5.170 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -3.015 6.587 -6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.498 7.045 -7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -3.149 9.470 -7.612 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.820 8.339 -7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.670 9.018 -9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -2.934 7.357 -9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.221 8.452 -9.532 1.00 0.00 H new ATOM 1416 N THR A 92 -8.144 9.368 -5.698 1.00 0.00 N ATOM 1417 CA THR A 92 -9.552 9.009 -5.688 1.00 0.00 C ATOM 1418 C THR A 92 -9.714 7.490 -5.601 1.00 0.00 C ATOM 1419 O THR A 92 -9.471 6.779 -6.575 1.00 0.00 O ATOM 1420 CB THR A 92 -10.205 9.619 -6.930 1.00 0.00 C ATOM 1421 OG1 THR A 92 -10.035 11.023 -6.756 1.00 0.00 O ATOM 1422 CG2 THR A 92 -11.722 9.427 -6.948 1.00 0.00 C ATOM 0 H THR A 92 -7.818 9.791 -6.567 1.00 0.00 H new ATOM 0 HA THR A 92 -10.056 9.410 -4.808 1.00 0.00 H new ATOM 0 HB THR A 92 -9.772 9.172 -7.825 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.428 11.497 -7.518 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.135 9.878 -7.850 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.954 8.362 -6.936 1.00 0.00 H new ATOM 0 HG23 THR A 92 -12.160 9.904 -6.071 1.00 0.00 H new ATOM 1430 N ASP A 93 -10.124 7.037 -4.426 1.00 0.00 N ATOM 1431 CA ASP A 93 -10.321 5.615 -4.199 1.00 0.00 C ATOM 1432 C ASP A 93 -9.024 4.868 -4.515 1.00 0.00 C ATOM 1433 O ASP A 93 -9.056 3.755 -5.039 1.00 0.00 O ATOM 1434 CB ASP A 93 -11.420 5.060 -5.107 1.00 0.00 C ATOM 1435 CG ASP A 93 -12.815 5.638 -4.860 1.00 0.00 C ATOM 1436 OD1 ASP A 93 -13.205 5.695 -3.674 1.00 0.00 O ATOM 1437 OD2 ASP A 93 -13.461 6.009 -5.864 1.00 0.00 O ATOM 0 H ASP A 93 -10.325 7.629 -3.620 1.00 0.00 H new ATOM 0 HA ASP A 93 -10.610 5.476 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -11.143 5.249 -6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -11.464 3.978 -4.980 1.00 0.00 H new ATOM 1442 N THR A 94 -7.913 5.509 -4.185 1.00 0.00 N ATOM 1443 CA THR A 94 -6.607 4.919 -4.427 1.00 0.00 C ATOM 1444 C THR A 94 -5.564 5.528 -3.488 1.00 0.00 C ATOM 1445 O THR A 94 -5.585 6.730 -3.227 1.00 0.00 O ATOM 1446 CB THR A 94 -6.273 5.104 -5.909 1.00 0.00 C ATOM 1447 OG1 THR A 94 -7.166 4.219 -6.579 1.00 0.00 O ATOM 1448 CG2 THR A 94 -4.884 4.572 -6.266 1.00 0.00 C ATOM 0 H THR A 94 -7.890 6.432 -3.752 1.00 0.00 H new ATOM 0 HA THR A 94 -6.609 3.851 -4.210 1.00 0.00 H new ATOM 0 HB THR A 94 -6.334 6.162 -6.166 1.00 0.00 H new ATOM 0 HG1 THR A 94 -7.597 3.632 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 94 -4.697 4.728 -7.328 1.00 0.00 H new ATOM 0 HG22 THR A 94 -4.131 5.102 -5.683 1.00 0.00 H new ATOM 0 HG23 THR A 94 -4.833 3.507 -6.041 1.00 0.00 H new ATOM 1456 N VAL A 95 -4.676 4.671 -3.007 1.00 0.00 N ATOM 1457 CA VAL A 95 -3.626 5.109 -2.103 1.00 0.00 C ATOM 1458 C VAL A 95 -2.284 5.086 -2.837 1.00 0.00 C ATOM 1459 O VAL A 95 -1.894 4.061 -3.393 1.00 0.00 O ATOM 1460 CB VAL A 95 -3.631 4.247 -0.839 1.00 0.00 C ATOM 1461 CG1 VAL A 95 -3.457 2.767 -1.184 1.00 0.00 C ATOM 1462 CG2 VAL A 95 -2.555 4.711 0.145 1.00 0.00 C ATOM 0 H VAL A 95 -4.662 3.675 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.803 6.135 -1.781 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.601 4.366 -0.356 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.464 2.177 -0.268 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.274 2.445 -1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.508 2.623 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.580 4.082 1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.575 4.635 -0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.743 5.747 0.428 1.00 0.00 H new ATOM 1472 N LEU A 96 -1.615 6.230 -2.816 1.00 0.00 N ATOM 1473 CA LEU A 96 -0.325 6.354 -3.473 1.00 0.00 C ATOM 1474 C LEU A 96 0.788 6.190 -2.436 1.00 0.00 C ATOM 1475 O LEU A 96 0.666 6.666 -1.309 1.00 0.00 O ATOM 1476 CB LEU A 96 -0.247 7.665 -4.257 1.00 0.00 C ATOM 1477 CG LEU A 96 -0.370 7.546 -5.778 1.00 0.00 C ATOM 1478 CD1 LEU A 96 0.117 8.822 -6.469 1.00 0.00 C ATOM 1479 CD2 LEU A 96 0.359 6.303 -6.291 1.00 0.00 C ATOM 0 H LEU A 96 -1.942 7.079 -2.354 1.00 0.00 H new ATOM 0 HA LEU A 96 -0.194 5.561 -4.210 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.036 8.327 -3.899 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.703 8.147 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.424 7.427 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.019 8.711 -7.549 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.483 9.668 -6.135 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.163 8.997 -6.216 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.256 6.242 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.415 6.367 -6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.074 5.413 -5.835 1.00 0.00 H new ATOM 1491 N ILE A 97 1.848 5.515 -2.855 1.00 0.00 N ATOM 1492 CA ILE A 97 2.982 5.282 -1.977 1.00 0.00 C ATOM 1493 C ILE A 97 4.270 5.693 -2.694 1.00 0.00 C ATOM 1494 O ILE A 97 4.879 4.886 -3.395 1.00 0.00 O ATOM 1495 CB ILE A 97 2.989 3.834 -1.482 1.00 0.00 C ATOM 1496 CG1 ILE A 97 1.638 3.458 -0.870 1.00 0.00 C ATOM 1497 CG2 ILE A 97 4.146 3.592 -0.511 1.00 0.00 C ATOM 1498 CD1 ILE A 97 1.432 4.156 0.476 1.00 0.00 C ATOM 0 H ILE A 97 1.946 5.122 -3.791 1.00 0.00 H new ATOM 0 HA ILE A 97 2.904 5.900 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 97 3.147 3.180 -2.340 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.835 3.735 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.584 2.378 -0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 97 4.128 2.555 -0.174 1.00 0.00 H new ATOM 0 HG22 ILE A 97 5.092 3.794 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.044 4.254 0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 97 0.464 3.871 0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.222 3.858 1.165 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.462 5.236 0.334 1.00 0.00 H new ATOM 1510 N LEU A 98 4.647 6.947 -2.494 1.00 0.00 N ATOM 1511 CA LEU A 98 5.851 7.475 -3.112 1.00 0.00 C ATOM 1512 C LEU A 98 7.074 6.987 -2.334 1.00 0.00 C ATOM 1513 O LEU A 98 7.225 7.292 -1.152 1.00 0.00 O ATOM 1514 CB LEU A 98 5.767 8.998 -3.235 1.00 0.00 C ATOM 1515 CG LEU A 98 4.659 9.538 -4.141 1.00 0.00 C ATOM 1516 CD1 LEU A 98 4.101 10.855 -3.600 1.00 0.00 C ATOM 1517 CD2 LEU A 98 5.148 9.672 -5.585 1.00 0.00 C ATOM 0 H LEU A 98 4.139 7.613 -1.912 1.00 0.00 H new ATOM 0 HA LEU A 98 5.951 7.102 -4.131 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.630 9.416 -2.238 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.724 9.366 -3.606 1.00 0.00 H new ATOM 0 HG LEU A 98 3.840 8.819 -4.144 1.00 0.00 H new ATOM 0 HD11 LEU A 98 3.315 11.217 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 98 3.690 10.694 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 98 4.900 11.594 -3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 98 4.341 10.058 -6.208 1.00 0.00 H new ATOM 0 HD22 LEU A 98 5.994 10.359 -5.620 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.458 8.695 -5.956 1.00 0.00 H new ATOM 1529 N CYS A 99 7.917 6.236 -3.029 1.00 0.00 N ATOM 1530 CA CYS A 99 9.123 5.703 -2.418 1.00 0.00 C ATOM 1531 C CYS A 99 10.330 6.245 -3.186 1.00 0.00 C ATOM 1532 O CYS A 99 10.585 5.837 -4.318 1.00 0.00 O ATOM 1533 CB CYS A 99 9.109 4.174 -2.382 1.00 0.00 C ATOM 1534 SG CYS A 99 8.310 3.592 -0.842 1.00 0.00 S ATOM 0 H CYS A 99 7.788 5.984 -4.009 1.00 0.00 H new ATOM 0 HA CYS A 99 9.181 6.025 -1.378 1.00 0.00 H new ATOM 0 HB2 CYS A 99 8.573 3.786 -3.248 1.00 0.00 H new ATOM 0 HB3 CYS A 99 10.128 3.791 -2.440 1.00 0.00 H new ATOM 0 HG CYS A 99 8.301 2.292 -0.822 1.00 0.00 H new ATOM 1540 N ARG A 100 11.042 7.156 -2.539 1.00 0.00 N ATOM 1541 CA ARG A 100 12.217 7.758 -3.147 1.00 0.00 C ATOM 1542 C ARG A 100 13.226 6.677 -3.536 1.00 0.00 C ATOM 1543 O ARG A 100 13.329 5.649 -2.867 1.00 0.00 O ATOM 1544 CB ARG A 100 12.884 8.750 -2.191 1.00 0.00 C ATOM 1545 CG ARG A 100 12.378 10.173 -2.436 1.00 0.00 C ATOM 1546 CD ARG A 100 12.444 10.530 -3.923 1.00 0.00 C ATOM 1547 NE ARG A 100 11.103 10.397 -4.535 1.00 0.00 N ATOM 1548 CZ ARG A 100 10.048 11.154 -4.205 1.00 0.00 C ATOM 1549 NH1 ARG A 100 10.172 12.102 -3.266 1.00 0.00 N ATOM 1550 NH2 ARG A 100 8.869 10.963 -4.813 1.00 0.00 N ATOM 0 H ARG A 100 10.828 7.492 -1.600 1.00 0.00 H new ATOM 0 HA ARG A 100 11.892 8.293 -4.039 1.00 0.00 H new ATOM 0 HB2 ARG A 100 12.680 8.460 -1.160 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.965 8.717 -2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 100 11.351 10.264 -2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.977 10.880 -1.862 1.00 0.00 H new ATOM 0 HD2 ARG A 100 12.809 11.550 -4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 100 13.152 9.875 -4.432 1.00 0.00 H new ATOM 0 HE ARG A 100 10.974 9.684 -5.253 1.00 0.00 H new ATOM 0 HH11 ARG A 100 11.069 12.247 -2.803 1.00 0.00 H new ATOM 0 HH12 ARG A 100 9.369 12.679 -3.014 1.00 0.00 H new ATOM 0 HH21 ARG A 100 8.775 10.241 -5.527 1.00 0.00 H new ATOM 0 HH22 ARG A 100 8.066 11.540 -4.561 1.00 0.00 H new ATOM 1564 N LYS A 101 13.947 6.945 -4.615 1.00 0.00 N ATOM 1565 CA LYS A 101 14.945 6.007 -5.101 1.00 0.00 C ATOM 1566 C LYS A 101 16.293 6.321 -4.448 1.00 0.00 C ATOM 1567 O LYS A 101 16.734 7.469 -4.447 1.00 0.00 O ATOM 1568 CB LYS A 101 14.985 6.013 -6.630 1.00 0.00 C ATOM 1569 CG LYS A 101 14.142 4.873 -7.206 1.00 0.00 C ATOM 1570 CD LYS A 101 14.588 4.525 -8.627 1.00 0.00 C ATOM 1571 CE LYS A 101 14.234 3.078 -8.974 1.00 0.00 C ATOM 1572 NZ LYS A 101 13.488 3.018 -10.251 1.00 0.00 N ATOM 0 H LYS A 101 13.860 7.799 -5.167 1.00 0.00 H new ATOM 0 HA LYS A 101 14.682 4.988 -4.817 1.00 0.00 H new ATOM 0 HB2 LYS A 101 14.615 6.968 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 101 16.016 5.916 -6.971 1.00 0.00 H new ATOM 0 HG2 LYS A 101 14.229 3.993 -6.568 1.00 0.00 H new ATOM 0 HG3 LYS A 101 13.091 5.160 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 101 14.111 5.200 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 101 15.664 4.672 -8.721 1.00 0.00 H new ATOM 0 HE2 LYS A 101 15.144 2.483 -9.050 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.634 2.643 -8.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.612 2.474 -10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 13.252 3.982 -10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 14.075 2.556 -10.974 1.00 0.00 H new ATOM 1585 N LYS A 102 16.910 5.279 -3.910 1.00 0.00 N ATOM 1586 CA LYS A 102 18.198 5.428 -3.256 1.00 0.00 C ATOM 1587 C LYS A 102 19.268 5.725 -4.308 1.00 0.00 C ATOM 1588 O LYS A 102 20.286 6.347 -4.006 1.00 0.00 O ATOM 1589 CB LYS A 102 18.507 4.203 -2.394 1.00 0.00 C ATOM 1590 CG LYS A 102 19.141 4.614 -1.063 1.00 0.00 C ATOM 1591 CD LYS A 102 20.598 4.153 -0.984 1.00 0.00 C ATOM 1592 CE LYS A 102 20.735 2.918 -0.092 1.00 0.00 C ATOM 1593 NZ LYS A 102 20.373 3.245 1.305 1.00 0.00 N ATOM 0 H LYS A 102 16.541 4.328 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 102 18.181 6.275 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.590 3.645 -2.207 1.00 0.00 H new ATOM 0 HB3 LYS A 102 19.181 3.536 -2.932 1.00 0.00 H new ATOM 0 HG2 LYS A 102 19.092 5.697 -0.952 1.00 0.00 H new ATOM 0 HG3 LYS A 102 18.574 4.183 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 102 20.966 3.926 -1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 102 21.218 4.960 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 102 20.091 2.121 -0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 102 21.759 2.546 -0.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 20.913 2.639 1.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 20.595 4.243 1.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 19.355 3.084 1.447 1.00 0.00 H new ATOM 1607 N VAL A 103 19.001 5.268 -5.523 1.00 0.00 N ATOM 1608 CA VAL A 103 19.928 5.477 -6.622 1.00 0.00 C ATOM 1609 C VAL A 103 19.147 5.555 -7.935 1.00 0.00 C ATOM 1610 O VAL A 103 18.587 4.558 -8.388 1.00 0.00 O ATOM 1611 CB VAL A 103 20.993 4.378 -6.624 1.00 0.00 C ATOM 1612 CG1 VAL A 103 20.858 3.480 -5.392 1.00 0.00 C ATOM 1613 CG2 VAL A 103 20.928 3.554 -7.912 1.00 0.00 C ATOM 0 H VAL A 103 18.156 4.754 -5.770 1.00 0.00 H new ATOM 0 HA VAL A 103 20.456 6.423 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 103 21.970 4.859 -6.582 1.00 0.00 H new ATOM 0 HG11 VAL A 103 21.627 2.708 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 103 20.977 4.080 -4.490 1.00 0.00 H new ATOM 0 HG13 VAL A 103 19.874 3.012 -5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 103 21.695 2.780 -7.888 1.00 0.00 H new ATOM 0 HG22 VAL A 103 19.946 3.089 -7.997 1.00 0.00 H new ATOM 0 HG23 VAL A 103 21.097 4.205 -8.770 1.00 0.00 H new ATOM 1623 N GLU A 104 19.134 6.749 -8.508 1.00 0.00 N ATOM 1624 CA GLU A 104 18.431 6.971 -9.760 1.00 0.00 C ATOM 1625 C GLU A 104 18.956 6.022 -10.839 1.00 0.00 C ATOM 1626 O GLU A 104 19.848 5.215 -10.581 1.00 0.00 O ATOM 1627 CB GLU A 104 18.551 8.429 -10.206 1.00 0.00 C ATOM 1628 CG GLU A 104 17.899 9.369 -9.190 1.00 0.00 C ATOM 1629 CD GLU A 104 18.898 9.785 -8.108 1.00 0.00 C ATOM 1630 OE1 GLU A 104 19.962 10.316 -8.493 1.00 0.00 O ATOM 1631 OE2 GLU A 104 18.574 9.563 -6.922 1.00 0.00 O ATOM 0 H GLU A 104 19.599 7.573 -8.128 1.00 0.00 H new ATOM 0 HA GLU A 104 17.373 6.760 -9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 104 19.602 8.691 -10.326 1.00 0.00 H new ATOM 0 HB3 GLU A 104 18.077 8.555 -11.180 1.00 0.00 H new ATOM 0 HG2 GLU A 104 17.520 10.255 -9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 104 17.043 8.875 -8.729 1.00 0.00 H new ATOM 1638 N ASN A 105 18.381 6.151 -12.026 1.00 0.00 N ATOM 1639 CA ASN A 105 18.781 5.315 -13.146 1.00 0.00 C ATOM 1640 C ASN A 105 18.914 3.866 -12.673 1.00 0.00 C ATOM 1641 O ASN A 105 20.012 3.310 -12.666 1.00 0.00 O ATOM 1642 CB ASN A 105 20.134 5.756 -13.707 1.00 0.00 C ATOM 1643 CG ASN A 105 19.956 6.808 -14.803 1.00 0.00 C ATOM 1644 OD1 ASN A 105 18.990 6.809 -15.548 1.00 0.00 O ATOM 1645 ND2 ASN A 105 20.941 7.701 -14.861 1.00 0.00 N ATOM 0 H ASN A 105 17.642 6.821 -12.237 1.00 0.00 H new ATOM 0 HA ASN A 105 18.022 5.406 -13.923 1.00 0.00 H new ATOM 0 HB2 ASN A 105 20.750 6.162 -12.904 1.00 0.00 H new ATOM 0 HB3 ASN A 105 20.664 4.893 -14.109 1.00 0.00 H new ATOM 0 HD21 ASN A 105 20.916 8.444 -15.560 1.00 0.00 H new ATOM 0 HD22 ASN A 105 21.721 7.643 -14.207 1.00 0.00 H new ATOM 1652 N THR A 106 17.782 3.296 -12.289 1.00 0.00 N ATOM 1653 CA THR A 106 17.759 1.922 -11.815 1.00 0.00 C ATOM 1654 C THR A 106 16.347 1.343 -11.929 1.00 0.00 C ATOM 1655 O THR A 106 15.505 1.576 -11.063 1.00 0.00 O ATOM 1656 CB THR A 106 18.310 1.905 -10.388 1.00 0.00 C ATOM 1657 OG1 THR A 106 19.723 1.844 -10.562 1.00 0.00 O ATOM 1658 CG2 THR A 106 17.970 0.611 -9.645 1.00 0.00 C ATOM 0 H THR A 106 16.874 3.760 -12.296 1.00 0.00 H new ATOM 0 HA THR A 106 18.390 1.280 -12.430 1.00 0.00 H new ATOM 0 HB THR A 106 17.913 2.756 -9.835 1.00 0.00 H new ATOM 0 HG1 THR A 106 19.945 2.019 -11.500 1.00 0.00 H new ATOM 0 HG21 THR A 106 18.384 0.650 -8.637 1.00 0.00 H new ATOM 0 HG22 THR A 106 16.887 0.498 -9.588 1.00 0.00 H new ATOM 0 HG23 THR A 106 18.396 -0.238 -10.179 1.00 0.00 H new ATOM 1666 N ARG A 107 16.133 0.598 -13.004 1.00 0.00 N ATOM 1667 CA ARG A 107 14.838 -0.016 -13.242 1.00 0.00 C ATOM 1668 C ARG A 107 14.539 -1.060 -12.163 1.00 0.00 C ATOM 1669 O ARG A 107 15.455 -1.682 -11.626 1.00 0.00 O ATOM 1670 CB ARG A 107 14.790 -0.686 -14.617 1.00 0.00 C ATOM 1671 CG ARG A 107 13.472 -0.380 -15.330 1.00 0.00 C ATOM 1672 CD ARG A 107 13.723 0.273 -16.691 1.00 0.00 C ATOM 1673 NE ARG A 107 12.507 0.985 -17.143 1.00 0.00 N ATOM 1674 CZ ARG A 107 12.436 1.711 -18.267 1.00 0.00 C ATOM 1675 NH1 ARG A 107 13.510 1.826 -19.059 1.00 0.00 N ATOM 1676 NH2 ARG A 107 11.290 2.322 -18.598 1.00 0.00 N ATOM 0 H ARG A 107 16.834 0.406 -13.719 1.00 0.00 H new ATOM 0 HA ARG A 107 14.086 0.773 -13.208 1.00 0.00 H new ATOM 0 HB2 ARG A 107 15.626 -0.338 -15.224 1.00 0.00 H new ATOM 0 HB3 ARG A 107 14.905 -1.764 -14.504 1.00 0.00 H new ATOM 0 HG2 ARG A 107 12.905 -1.301 -15.464 1.00 0.00 H new ATOM 0 HG3 ARG A 107 12.865 0.281 -14.712 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.558 0.970 -16.620 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.003 -0.486 -17.422 1.00 0.00 H new ATOM 0 HE ARG A 107 11.671 0.919 -16.563 1.00 0.00 H new ATOM 0 HH11 ARG A 107 14.382 1.361 -18.807 1.00 0.00 H new ATOM 0 HH12 ARG A 107 13.456 2.379 -19.915 1.00 0.00 H new ATOM 0 HH21 ARG A 107 10.472 2.234 -17.994 1.00 0.00 H new ATOM 0 HH22 ARG A 107 11.235 2.875 -19.453 1.00 0.00 H new ATOM 1690 N TRP A 108 13.255 -1.220 -11.879 1.00 0.00 N ATOM 1691 CA TRP A 108 12.825 -2.177 -10.874 1.00 0.00 C ATOM 1692 C TRP A 108 12.097 -3.317 -11.589 1.00 0.00 C ATOM 1693 O TRP A 108 10.892 -3.238 -11.824 1.00 0.00 O ATOM 1694 CB TRP A 108 11.968 -1.500 -9.802 1.00 0.00 C ATOM 1695 CG TRP A 108 12.777 -0.760 -8.735 1.00 0.00 C ATOM 1696 CD1 TRP A 108 13.953 -0.133 -8.878 1.00 0.00 C ATOM 1697 CD2 TRP A 108 12.419 -0.593 -7.347 1.00 0.00 C ATOM 1698 NE1 TRP A 108 14.378 0.422 -7.688 1.00 0.00 N ATOM 1699 CE2 TRP A 108 13.415 0.134 -6.728 1.00 0.00 C ATOM 1700 CE3 TRP A 108 11.291 -1.042 -6.638 1.00 0.00 C ATOM 1701 CZ2 TRP A 108 13.384 0.476 -5.370 1.00 0.00 C ATOM 1702 CZ3 TRP A 108 11.275 -0.692 -5.282 1.00 0.00 C ATOM 1703 CH2 TRP A 108 12.269 0.039 -4.644 1.00 0.00 C ATOM 0 H TRP A 108 12.499 -0.703 -12.327 1.00 0.00 H new ATOM 0 HA TRP A 108 13.683 -2.590 -10.342 1.00 0.00 H new ATOM 0 HB2 TRP A 108 11.291 -0.795 -10.284 1.00 0.00 H new ATOM 0 HB3 TRP A 108 11.349 -2.254 -9.316 1.00 0.00 H new ATOM 0 HD1 TRP A 108 14.499 -0.070 -9.808 1.00 0.00 H new ATOM 0 HE1 TRP A 108 15.240 0.947 -7.540 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.500 -1.612 -7.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.177 1.046 -4.908 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 10.430 -1.013 -4.691 1.00 0.00 H new ATOM 0 HH2 TRP A 108 12.182 0.269 -3.592 1.00 0.00 H new ATOM 1714 N ASP A 109 12.859 -4.351 -11.915 1.00 0.00 N ATOM 1715 CA ASP A 109 12.301 -5.506 -12.598 1.00 0.00 C ATOM 1716 C ASP A 109 11.119 -6.048 -11.793 1.00 0.00 C ATOM 1717 O ASP A 109 10.241 -6.711 -12.342 1.00 0.00 O ATOM 1718 CB ASP A 109 13.338 -6.623 -12.726 1.00 0.00 C ATOM 1719 CG ASP A 109 14.583 -6.261 -13.538 1.00 0.00 C ATOM 1720 OD1 ASP A 109 14.447 -5.397 -14.431 1.00 0.00 O ATOM 1721 OD2 ASP A 109 15.644 -6.855 -13.246 1.00 0.00 O ATOM 0 H ASP A 109 13.858 -4.413 -11.719 1.00 0.00 H new ATOM 0 HA ASP A 109 11.986 -5.190 -13.593 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.650 -6.925 -11.726 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.862 -7.489 -13.186 1.00 0.00 H new ATOM 1726 N TYR A 110 11.134 -5.745 -10.503 1.00 0.00 N ATOM 1727 CA TYR A 110 10.074 -6.193 -9.616 1.00 0.00 C ATOM 1728 C TYR A 110 9.982 -5.302 -8.376 1.00 0.00 C ATOM 1729 O TYR A 110 10.985 -4.744 -7.933 1.00 0.00 O ATOM 1730 CB TYR A 110 10.457 -7.610 -9.184 1.00 0.00 C ATOM 1731 CG TYR A 110 10.718 -8.567 -10.349 1.00 0.00 C ATOM 1732 CD1 TYR A 110 9.659 -9.173 -10.994 1.00 0.00 C ATOM 1733 CD2 TYR A 110 12.012 -8.824 -10.754 1.00 0.00 C ATOM 1734 CE1 TYR A 110 9.905 -10.074 -12.090 1.00 0.00 C ATOM 1735 CE2 TYR A 110 12.258 -9.725 -11.850 1.00 0.00 C ATOM 1736 CZ TYR A 110 11.192 -10.305 -12.464 1.00 0.00 C ATOM 1737 OH TYR A 110 11.424 -11.156 -13.500 1.00 0.00 O ATOM 0 H TYR A 110 11.864 -5.194 -10.051 1.00 0.00 H new ATOM 0 HA TYR A 110 9.109 -6.156 -10.122 1.00 0.00 H new ATOM 0 HB2 TYR A 110 11.350 -7.560 -8.561 1.00 0.00 H new ATOM 0 HB3 TYR A 110 9.659 -8.018 -8.564 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.646 -8.972 -10.677 1.00 0.00 H new ATOM 0 HD2 TYR A 110 12.840 -8.349 -10.249 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.086 -10.555 -12.603 1.00 0.00 H new ATOM 0 HE2 TYR A 110 13.266 -9.935 -12.177 1.00 0.00 H new ATOM 0 HH TYR A 110 12.389 -11.225 -13.657 1.00 0.00 H new ATOM 1747 N LEU A 111 8.770 -5.195 -7.852 1.00 0.00 N ATOM 1748 CA LEU A 111 8.535 -4.381 -6.672 1.00 0.00 C ATOM 1749 C LEU A 111 9.458 -4.846 -5.544 1.00 0.00 C ATOM 1750 O LEU A 111 10.189 -4.044 -4.964 1.00 0.00 O ATOM 1751 CB LEU A 111 7.051 -4.396 -6.298 1.00 0.00 C ATOM 1752 CG LEU A 111 6.491 -3.093 -5.724 1.00 0.00 C ATOM 1753 CD1 LEU A 111 5.089 -3.305 -5.149 1.00 0.00 C ATOM 1754 CD2 LEU A 111 7.448 -2.491 -4.694 1.00 0.00 C ATOM 0 H LEU A 111 7.940 -5.658 -8.223 1.00 0.00 H new ATOM 0 HA LEU A 111 8.779 -3.338 -6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 111 6.475 -4.655 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 111 6.888 -5.190 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 111 6.400 -2.373 -6.537 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.714 -2.363 -4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 111 4.422 -3.655 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU A 111 5.131 -4.048 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 111 7.026 -1.566 -4.302 1.00 0.00 H new ATOM 0 HD22 LEU A 111 7.595 -3.198 -3.877 1.00 0.00 H new ATOM 0 HD23 LEU A 111 8.407 -2.280 -5.168 1.00 0.00 H new ATOM 1766 N THR A 112 9.394 -6.140 -5.265 1.00 0.00 N ATOM 1767 CA THR A 112 10.215 -6.721 -4.217 1.00 0.00 C ATOM 1768 C THR A 112 11.128 -7.804 -4.794 1.00 0.00 C ATOM 1769 O THR A 112 10.970 -8.206 -5.946 1.00 0.00 O ATOM 1770 CB THR A 112 9.283 -7.235 -3.117 1.00 0.00 C ATOM 1771 OG1 THR A 112 8.323 -8.023 -3.816 1.00 0.00 O ATOM 1772 CG2 THR A 112 8.456 -6.116 -2.481 1.00 0.00 C ATOM 0 H THR A 112 8.786 -6.802 -5.747 1.00 0.00 H new ATOM 0 HA THR A 112 10.881 -5.978 -3.778 1.00 0.00 H new ATOM 0 HB THR A 112 9.871 -7.734 -2.347 1.00 0.00 H new ATOM 0 HG1 THR A 112 7.680 -8.397 -3.178 1.00 0.00 H new ATOM 0 HG21 THR A 112 7.812 -6.534 -1.707 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.124 -5.377 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 112 7.842 -5.638 -3.245 1.00 0.00 H new ATOM 1780 N GLN A 113 12.065 -8.245 -3.967 1.00 0.00 N ATOM 1781 CA GLN A 113 13.004 -9.274 -4.381 1.00 0.00 C ATOM 1782 C GLN A 113 12.284 -10.613 -4.550 1.00 0.00 C ATOM 1783 O GLN A 113 12.522 -11.332 -5.520 1.00 0.00 O ATOM 1784 CB GLN A 113 14.159 -9.394 -3.385 1.00 0.00 C ATOM 1785 CG GLN A 113 15.150 -8.241 -3.553 1.00 0.00 C ATOM 1786 CD GLN A 113 16.589 -8.720 -3.353 1.00 0.00 C ATOM 1787 OE1 GLN A 113 16.854 -9.717 -2.700 1.00 0.00 O ATOM 1788 NE2 GLN A 113 17.502 -7.958 -3.949 1.00 0.00 N ATOM 0 H GLN A 113 12.194 -7.909 -3.013 1.00 0.00 H new ATOM 0 HA GLN A 113 13.426 -8.987 -5.344 1.00 0.00 H new ATOM 0 HB2 GLN A 113 13.768 -9.397 -2.368 1.00 0.00 H new ATOM 0 HB3 GLN A 113 14.673 -10.344 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 113 15.043 -7.807 -4.547 1.00 0.00 H new ATOM 0 HG3 GLN A 113 14.922 -7.454 -2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 113 17.213 -7.137 -4.481 1.00 0.00 H new ATOM 0 HE22 GLN A 113 18.491 -8.195 -3.874 1.00 0.00 H new ATOM 1797 N VAL A 114 11.419 -10.909 -3.591 1.00 0.00 N ATOM 1798 CA VAL A 114 10.663 -12.149 -3.622 1.00 0.00 C ATOM 1799 C VAL A 114 10.215 -12.433 -5.057 1.00 0.00 C ATOM 1800 O VAL A 114 10.635 -13.420 -5.658 1.00 0.00 O ATOM 1801 CB VAL A 114 9.497 -12.076 -2.634 1.00 0.00 C ATOM 1802 CG1 VAL A 114 8.542 -13.257 -2.824 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.003 -12.006 -1.192 1.00 0.00 C ATOM 0 H VAL A 114 11.225 -10.311 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 114 11.287 -12.985 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 114 8.942 -11.160 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 114 7.722 -13.181 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.142 -13.242 -3.838 1.00 0.00 H new ATOM 0 HG13 VAL A 114 9.081 -14.190 -2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.154 -11.955 -0.511 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.593 -12.895 -0.970 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.623 -11.118 -1.067 1.00 0.00 H new ATOM 1813 N GLU A 115 9.368 -11.550 -5.564 1.00 0.00 N ATOM 1814 CA GLU A 115 8.858 -11.693 -6.917 1.00 0.00 C ATOM 1815 C GLU A 115 9.981 -12.116 -7.865 1.00 0.00 C ATOM 1816 O GLU A 115 9.871 -13.133 -8.548 1.00 0.00 O ATOM 1817 CB GLU A 115 8.196 -10.398 -7.393 1.00 0.00 C ATOM 1818 CG GLU A 115 7.224 -10.670 -8.543 1.00 0.00 C ATOM 1819 CD GLU A 115 6.449 -9.405 -8.916 1.00 0.00 C ATOM 1820 OE1 GLU A 115 6.772 -8.348 -8.331 1.00 0.00 O ATOM 1821 OE2 GLU A 115 5.552 -9.522 -9.778 1.00 0.00 O ATOM 0 H GLU A 115 9.022 -10.732 -5.062 1.00 0.00 H new ATOM 0 HA GLU A 115 8.096 -12.473 -6.917 1.00 0.00 H new ATOM 0 HB2 GLU A 115 7.663 -9.932 -6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 115 8.961 -9.692 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 115 7.774 -11.033 -9.411 1.00 0.00 H new ATOM 0 HG3 GLU A 115 6.526 -11.457 -8.256 1.00 0.00 H new ATOM 1828 N LYS A 116 11.036 -11.315 -7.877 1.00 0.00 N ATOM 1829 CA LYS A 116 12.178 -11.594 -8.730 1.00 0.00 C ATOM 1830 C LYS A 116 12.589 -13.058 -8.563 1.00 0.00 C ATOM 1831 O LYS A 116 12.477 -13.849 -9.498 1.00 0.00 O ATOM 1832 CB LYS A 116 13.310 -10.602 -8.452 1.00 0.00 C ATOM 1833 CG LYS A 116 14.552 -10.942 -9.278 1.00 0.00 C ATOM 1834 CD LYS A 116 15.637 -9.878 -9.100 1.00 0.00 C ATOM 1835 CE LYS A 116 16.757 -10.383 -8.189 1.00 0.00 C ATOM 1836 NZ LYS A 116 17.526 -9.247 -7.633 1.00 0.00 N ATOM 0 H LYS A 116 11.124 -10.472 -7.309 1.00 0.00 H new ATOM 0 HA LYS A 116 11.913 -11.455 -9.778 1.00 0.00 H new ATOM 0 HB2 LYS A 116 12.978 -9.591 -8.687 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.559 -10.617 -7.391 1.00 0.00 H new ATOM 0 HG2 LYS A 116 14.939 -11.915 -8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.283 -11.019 -10.331 1.00 0.00 H new ATOM 0 HD2 LYS A 116 16.049 -9.607 -10.072 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.199 -8.974 -8.677 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.334 -10.975 -7.377 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.422 -11.040 -8.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.282 -9.608 -7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 17.945 -8.698 -8.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 16.892 -8.636 -7.080 1.00 0.00 H new ATOM 1850 N GLU A 117 13.056 -13.375 -7.364 1.00 0.00 N ATOM 1851 CA GLU A 117 13.484 -14.731 -7.062 1.00 0.00 C ATOM 1852 C GLU A 117 12.472 -15.741 -7.606 1.00 0.00 C ATOM 1853 O GLU A 117 12.830 -16.631 -8.375 1.00 0.00 O ATOM 1854 CB GLU A 117 13.692 -14.918 -5.558 1.00 0.00 C ATOM 1855 CG GLU A 117 15.002 -14.275 -5.101 1.00 0.00 C ATOM 1856 CD GLU A 117 16.182 -15.227 -5.308 1.00 0.00 C ATOM 1857 OE1 GLU A 117 16.656 -15.301 -6.462 1.00 0.00 O ATOM 1858 OE2 GLU A 117 16.583 -15.860 -4.307 1.00 0.00 O ATOM 0 H GLU A 117 13.147 -12.717 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 117 14.442 -14.907 -7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 117 12.857 -14.476 -5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 117 13.702 -15.981 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 117 15.172 -13.353 -5.657 1.00 0.00 H new ATOM 0 HG3 GLU A 117 14.930 -14.003 -4.048 1.00 0.00 H new ATOM 1865 N CYS A 118 11.227 -15.568 -7.186 1.00 0.00 N ATOM 1866 CA CYS A 118 10.160 -16.453 -7.621 1.00 0.00 C ATOM 1867 C CYS A 118 10.190 -16.526 -9.149 1.00 0.00 C ATOM 1868 O CYS A 118 10.458 -17.582 -9.719 1.00 0.00 O ATOM 1869 CB CYS A 118 8.797 -15.995 -7.098 1.00 0.00 C ATOM 1870 SG CYS A 118 7.787 -17.448 -6.630 1.00 0.00 S ATOM 0 H CYS A 118 10.934 -14.828 -6.549 1.00 0.00 H new ATOM 0 HA CYS A 118 10.318 -17.449 -7.207 1.00 0.00 H new ATOM 0 HB2 CYS A 118 8.930 -15.341 -6.236 1.00 0.00 H new ATOM 0 HB3 CYS A 118 8.281 -15.414 -7.863 1.00 0.00 H new ATOM 0 HG CYS A 118 6.633 -17.049 -6.185 1.00 0.00 H new ATOM 1876 N LYS A 119 9.911 -15.389 -9.770 1.00 0.00 N ATOM 1877 CA LYS A 119 9.903 -15.310 -11.220 1.00 0.00 C ATOM 1878 C LYS A 119 11.133 -16.033 -11.773 1.00 0.00 C ATOM 1879 O LYS A 119 11.013 -16.892 -12.645 1.00 0.00 O ATOM 1880 CB LYS A 119 9.787 -13.855 -11.678 1.00 0.00 C ATOM 1881 CG LYS A 119 8.440 -13.257 -11.268 1.00 0.00 C ATOM 1882 CD LYS A 119 7.409 -13.410 -12.388 1.00 0.00 C ATOM 1883 CE LYS A 119 7.064 -14.882 -12.618 1.00 0.00 C ATOM 1884 NZ LYS A 119 5.746 -15.009 -13.279 1.00 0.00 N ATOM 0 H LYS A 119 9.689 -14.515 -9.294 1.00 0.00 H new ATOM 0 HA LYS A 119 9.026 -15.817 -11.624 1.00 0.00 H new ATOM 0 HB2 LYS A 119 10.597 -13.268 -11.244 1.00 0.00 H new ATOM 0 HB3 LYS A 119 9.898 -13.801 -12.761 1.00 0.00 H new ATOM 0 HG2 LYS A 119 8.078 -13.751 -10.366 1.00 0.00 H new ATOM 0 HG3 LYS A 119 8.565 -12.202 -11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 119 6.505 -12.856 -12.133 1.00 0.00 H new ATOM 0 HD3 LYS A 119 7.800 -12.976 -13.309 1.00 0.00 H new ATOM 0 HE2 LYS A 119 7.832 -15.350 -13.233 1.00 0.00 H new ATOM 0 HE3 LYS A 119 7.052 -15.412 -11.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 5.528 -16.015 -13.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 5.013 -14.581 -12.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 5.770 -14.521 -14.197 1.00 0.00 H new ATOM 1898 N GLU A 120 12.288 -15.657 -11.243 1.00 0.00 N ATOM 1899 CA GLU A 120 13.539 -16.259 -11.673 1.00 0.00 C ATOM 1900 C GLU A 120 13.906 -17.430 -10.759 1.00 0.00 C ATOM 1901 O GLU A 120 13.027 -18.121 -10.245 1.00 0.00 O ATOM 1902 CB GLU A 120 14.661 -15.220 -11.712 1.00 0.00 C ATOM 1903 CG GLU A 120 14.190 -13.929 -12.383 1.00 0.00 C ATOM 1904 CD GLU A 120 15.145 -13.513 -13.504 1.00 0.00 C ATOM 1905 OE1 GLU A 120 15.216 -14.268 -14.498 1.00 0.00 O ATOM 1906 OE2 GLU A 120 15.783 -12.451 -13.342 1.00 0.00 O ATOM 0 H GLU A 120 12.384 -14.944 -10.520 1.00 0.00 H new ATOM 0 HA GLU A 120 13.408 -16.642 -12.685 1.00 0.00 H new ATOM 0 HB2 GLU A 120 14.998 -15.005 -10.698 1.00 0.00 H new ATOM 0 HB3 GLU A 120 15.517 -15.624 -12.253 1.00 0.00 H new ATOM 0 HG2 GLU A 120 13.188 -14.070 -12.788 1.00 0.00 H new ATOM 0 HG3 GLU A 120 14.125 -13.133 -11.642 1.00 0.00 H new ATOM 1913 N LYS A 121 15.206 -17.616 -10.583 1.00 0.00 N ATOM 1914 CA LYS A 121 15.700 -18.691 -9.740 1.00 0.00 C ATOM 1915 C LYS A 121 15.223 -18.468 -8.303 1.00 0.00 C ATOM 1916 O LYS A 121 15.116 -17.329 -7.852 1.00 0.00 O ATOM 1917 CB LYS A 121 17.219 -18.819 -9.870 1.00 0.00 C ATOM 1918 CG LYS A 121 17.601 -20.121 -10.577 1.00 0.00 C ATOM 1919 CD LYS A 121 19.103 -20.391 -10.457 1.00 0.00 C ATOM 1920 CE LYS A 121 19.880 -19.659 -11.553 1.00 0.00 C ATOM 1921 NZ LYS A 121 20.486 -18.419 -11.019 1.00 0.00 N ATOM 0 H LYS A 121 15.932 -17.040 -11.010 1.00 0.00 H new ATOM 0 HA LYS A 121 15.293 -19.648 -10.067 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.613 -17.969 -10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 121 17.676 -18.791 -8.881 1.00 0.00 H new ATOM 0 HG2 LYS A 121 17.043 -20.951 -10.144 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.321 -20.063 -11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 121 19.457 -20.069 -9.478 1.00 0.00 H new ATOM 0 HD3 LYS A 121 19.290 -21.462 -10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 121 20.659 -20.309 -11.951 1.00 0.00 H new ATOM 0 HE3 LYS A 121 19.213 -19.418 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 20.833 -17.835 -11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 19.772 -17.887 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 21.280 -18.662 -10.393 1.00 0.00 H new ATOM 1935 N SER A 122 14.950 -19.573 -7.626 1.00 0.00 N ATOM 1936 CA SER A 122 14.487 -19.512 -6.250 1.00 0.00 C ATOM 1937 C SER A 122 14.877 -20.792 -5.509 1.00 0.00 C ATOM 1938 O SER A 122 15.392 -21.731 -6.114 1.00 0.00 O ATOM 1939 CB SER A 122 12.973 -19.302 -6.187 1.00 0.00 C ATOM 1940 OG SER A 122 12.257 -20.439 -6.662 1.00 0.00 O ATOM 0 H SER A 122 15.040 -20.516 -8.004 1.00 0.00 H new ATOM 0 HA SER A 122 14.965 -18.660 -5.766 1.00 0.00 H new ATOM 0 HB2 SER A 122 12.678 -19.091 -5.159 1.00 0.00 H new ATOM 0 HB3 SER A 122 12.703 -18.429 -6.781 1.00 0.00 H new ATOM 0 HG SER A 122 11.294 -20.267 -6.604 1.00 0.00 H new ATOM 1946 N GLY A 123 14.616 -20.789 -4.210 1.00 0.00 N ATOM 1947 CA GLY A 123 14.933 -21.939 -3.380 1.00 0.00 C ATOM 1948 C GLY A 123 13.725 -22.869 -3.246 1.00 0.00 C ATOM 1949 O GLY A 123 12.808 -22.822 -4.065 1.00 0.00 O ATOM 0 H GLY A 123 14.189 -20.008 -3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 123 15.770 -22.485 -3.814 1.00 0.00 H new ATOM 0 HA3 GLY A 123 15.249 -21.603 -2.392 1.00 0.00 H new ATOM 1953 N PRO A 124 13.765 -23.713 -2.181 1.00 0.00 N ATOM 1954 CA PRO A 124 12.685 -24.652 -1.930 1.00 0.00 C ATOM 1955 C PRO A 124 11.458 -23.937 -1.361 1.00 0.00 C ATOM 1956 O PRO A 124 11.206 -23.992 -0.158 1.00 0.00 O ATOM 1957 CB PRO A 124 13.271 -25.679 -0.974 1.00 0.00 C ATOM 1958 CG PRO A 124 14.500 -25.025 -0.363 1.00 0.00 C ATOM 1959 CD PRO A 124 14.836 -23.796 -1.192 1.00 0.00 C ATOM 0 HA PRO A 124 12.326 -25.133 -2.840 1.00 0.00 H new ATOM 0 HB2 PRO A 124 12.550 -25.952 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 124 13.537 -26.596 -1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 124 14.308 -24.746 0.673 1.00 0.00 H new ATOM 0 HG3 PRO A 124 15.339 -25.721 -0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 124 14.874 -22.899 -0.573 1.00 0.00 H new ATOM 0 HD3 PRO A 124 15.810 -23.895 -1.671 1.00 0.00 H new ATOM 1967 N SER A 125 10.728 -23.283 -2.252 1.00 0.00 N ATOM 1968 CA SER A 125 9.534 -22.558 -1.854 1.00 0.00 C ATOM 1969 C SER A 125 9.895 -21.471 -0.840 1.00 0.00 C ATOM 1970 O SER A 125 10.972 -21.503 -0.247 1.00 0.00 O ATOM 1971 CB SER A 125 8.485 -23.504 -1.266 1.00 0.00 C ATOM 1972 OG SER A 125 7.185 -23.252 -1.791 1.00 0.00 O ATOM 0 H SER A 125 10.941 -23.240 -3.249 1.00 0.00 H new ATOM 0 HA SER A 125 9.107 -22.091 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 125 8.768 -24.535 -1.477 1.00 0.00 H new ATOM 0 HB3 SER A 125 8.466 -23.395 -0.182 1.00 0.00 H new ATOM 0 HG SER A 125 6.544 -23.877 -1.392 1.00 0.00 H new ATOM 1978 N SER A 126 8.974 -20.533 -0.672 1.00 0.00 N ATOM 1979 CA SER A 126 9.182 -19.438 0.260 1.00 0.00 C ATOM 1980 C SER A 126 8.423 -19.706 1.561 1.00 0.00 C ATOM 1981 O SER A 126 7.201 -19.574 1.609 1.00 0.00 O ATOM 1982 CB SER A 126 8.740 -18.106 -0.348 1.00 0.00 C ATOM 1983 OG SER A 126 7.393 -18.152 -0.812 1.00 0.00 O ATOM 0 H SER A 126 8.082 -20.509 -1.166 1.00 0.00 H new ATOM 0 HA SER A 126 10.248 -19.371 0.477 1.00 0.00 H new ATOM 0 HB2 SER A 126 8.840 -17.316 0.397 1.00 0.00 H new ATOM 0 HB3 SER A 126 9.400 -17.849 -1.176 1.00 0.00 H new ATOM 0 HG SER A 126 6.836 -18.619 -0.154 1.00 0.00 H new ATOM 1989 N GLY A 127 9.178 -20.078 2.584 1.00 0.00 N ATOM 1990 CA GLY A 127 8.592 -20.366 3.882 1.00 0.00 C ATOM 1991 C GLY A 127 9.411 -21.418 4.633 1.00 0.00 C ATOM 1992 O GLY A 127 9.191 -21.649 5.821 1.00 0.00 O ATOM 0 H GLY A 127 10.191 -20.187 2.540 1.00 0.00 H new ATOM 0 HA2 GLY A 127 8.540 -19.451 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 127 7.569 -20.721 3.753 1.00 0.00 H new TER 1996 GLY A 127