USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 934 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 85 GLN : amide:sc= -0.0272 K(o=-2,f=-3.9!) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 172:sc= -2.14 (180deg=-3.82!) USER MOD Set 1.3: A 101 SER OG : rot 32:sc= 0.195 USER MOD Set 2.1: A 71 ASN : amide:sc= -2.54! C(o=-2.6!,f=-5.7!) USER MOD Set 2.2: A 73 MET CE :methyl -179:sc= -0.0208 (180deg=-0.0113) USER MOD Set 3.1: A 65 ASN :FLIP amide:sc= -0.455 F(o=-2.2,f=-0.5) USER MOD Set 3.2: A 88 TYR OH : rot 180:sc= -0.0463 USER MOD Single : A 1 GLN : amide:sc= -0.159 K(o=-0.16,f=-2.2) USER MOD Single : A 1 GLN N :NH3+ -144:sc= -0.181 (180deg=-1.86!) USER MOD Single : A 3 ASN : amide:sc= -0.0851 X(o=-0.085,f=-0.3) USER MOD Single : A 14 THR OG1 : rot -42:sc= 0.0532 USER MOD Single : A 15 GLN : amide:sc= -11.8! C(o=-12!,f=-14!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -129:sc= -2.32! USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0386 K(o=-0.039,f=-1.3!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.587 USER MOD Single : A 36 TYR OH : rot 74:sc= 0.0877 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -15:sc= 0.744 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0408 K(o=-0.041,f=-1.6) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 170:sc= -0.0685 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.84 F(o=-2.3!,f=-0.84) USER MOD Single : A 84 SER OG : rot 22:sc= -0.659 USER MOD Single : A 89 SER OG : rot 180:sc= -1.09 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.0498 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 90:sc= -1.06 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.8 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -170:sc= -0.189 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0342 USER MOD Single : A 115 GLN : amide:sc= -0.354 K(o=-0.35,f=-1.8) USER MOD Single : A 117 THR OG1 : rot -100:sc= -0.768 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 23.624 -6.714 -16.270 1.00 0.00 N ATOM 2 CA GLN A 1 23.566 -8.139 -16.077 1.00 0.00 C ATOM 3 C GLN A 1 22.115 -8.578 -16.172 1.00 0.00 C ATOM 4 O GLN A 1 21.742 -9.176 -17.163 1.00 0.00 O ATOM 5 CB GLN A 1 24.193 -8.395 -14.764 1.00 0.00 C ATOM 6 CG GLN A 1 25.656 -8.053 -14.819 1.00 0.00 C ATOM 7 CD GLN A 1 26.324 -8.131 -13.514 1.00 0.00 C ATOM 8 OE1 GLN A 1 26.826 -9.161 -13.095 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.285 -7.012 -12.837 1.00 0.00 N ATOM 0 H1 GLN A 1 24.487 -6.470 -16.796 1.00 0.00 H new ATOM 0 H2 GLN A 1 22.790 -6.402 -16.808 1.00 0.00 H new ATOM 0 H3 GLN A 1 23.636 -6.239 -15.345 1.00 0.00 H new ATOM 0 HA GLN A 1 24.101 -8.715 -16.832 1.00 0.00 H new ATOM 0 HB2 GLN A 1 23.701 -7.801 -13.994 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.066 -9.442 -14.489 1.00 0.00 H new ATOM 0 HG2 GLN A 1 26.153 -8.729 -15.514 1.00 0.00 H new ATOM 0 HG3 GLN A 1 25.771 -7.045 -15.218 1.00 0.00 H new ATOM 0 HE21 GLN A 1 25.850 -6.184 -13.244 1.00 0.00 H new ATOM 0 HE22 GLN A 1 26.690 -6.967 -11.902 1.00 0.00 H new ATOM 18 N CYS A 2 21.273 -8.288 -15.146 1.00 0.00 N ATOM 19 CA CYS A 2 19.835 -8.410 -15.403 1.00 0.00 C ATOM 20 C CYS A 2 19.315 -7.046 -15.778 1.00 0.00 C ATOM 21 O CYS A 2 18.133 -6.859 -16.038 1.00 0.00 O ATOM 22 CB CYS A 2 18.908 -8.982 -14.312 1.00 0.00 C ATOM 23 SG CYS A 2 19.559 -9.881 -12.872 1.00 0.00 S ATOM 0 H CYS A 2 21.545 -7.992 -14.208 1.00 0.00 H new ATOM 0 HA CYS A 2 19.792 -9.170 -16.184 1.00 0.00 H new ATOM 0 HB2 CYS A 2 18.325 -8.146 -13.924 1.00 0.00 H new ATOM 0 HB3 CYS A 2 18.210 -9.653 -14.812 1.00 0.00 H new ATOM 28 N ASN A 3 20.242 -6.100 -15.799 1.00 0.00 N ATOM 29 CA ASN A 3 19.978 -4.694 -16.138 1.00 0.00 C ATOM 30 C ASN A 3 18.924 -4.042 -15.196 1.00 0.00 C ATOM 31 O ASN A 3 18.078 -3.273 -15.641 1.00 0.00 O ATOM 32 CB ASN A 3 19.519 -4.608 -17.592 1.00 0.00 C ATOM 33 CG ASN A 3 19.671 -3.225 -18.165 1.00 0.00 C ATOM 34 OD1 ASN A 3 18.734 -2.436 -18.216 1.00 0.00 O ATOM 35 ND2 ASN A 3 20.874 -2.928 -18.575 1.00 0.00 N ATOM 0 H ASN A 3 21.221 -6.283 -15.578 1.00 0.00 H new ATOM 0 HA ASN A 3 20.904 -4.136 -16.003 1.00 0.00 H new ATOM 0 HB2 ASN A 3 20.095 -5.312 -18.193 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.474 -4.912 -17.658 1.00 0.00 H new ATOM 0 HD21 ASN A 3 21.068 -2.003 -18.959 1.00 0.00 H new ATOM 0 HD22 ASN A 3 21.620 -3.621 -18.511 1.00 0.00 H new ATOM 42 N ALA A 4 19.030 -4.349 -13.877 1.00 0.00 N ATOM 43 CA ALA A 4 18.138 -3.795 -12.826 1.00 0.00 C ATOM 44 C ALA A 4 16.688 -4.260 -12.972 1.00 0.00 C ATOM 45 O ALA A 4 16.120 -4.218 -14.059 1.00 0.00 O ATOM 46 CB ALA A 4 18.213 -2.273 -12.767 1.00 0.00 C ATOM 0 H ALA A 4 19.737 -4.988 -13.513 1.00 0.00 H new ATOM 0 HA ALA A 4 18.507 -4.192 -11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.547 -1.906 -11.986 1.00 0.00 H new ATOM 0 HB2 ALA A 4 19.235 -1.967 -12.545 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.911 -1.856 -13.728 1.00 0.00 H new ATOM 52 N PRO A 5 16.058 -4.743 -11.879 1.00 0.00 N ATOM 53 CA PRO A 5 14.669 -5.244 -11.957 1.00 0.00 C ATOM 54 C PRO A 5 13.613 -4.173 -12.256 1.00 0.00 C ATOM 55 O PRO A 5 12.976 -4.201 -13.315 1.00 0.00 O ATOM 56 CB PRO A 5 14.434 -5.809 -10.549 1.00 0.00 C ATOM 57 CG PRO A 5 15.447 -5.139 -9.674 1.00 0.00 C ATOM 58 CD PRO A 5 16.645 -4.882 -10.525 1.00 0.00 C ATOM 0 HA PRO A 5 14.565 -5.953 -12.778 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.420 -5.600 -10.207 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.558 -6.892 -10.535 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.053 -4.207 -9.269 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.704 -5.772 -8.825 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.174 -3.980 -10.218 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.360 -5.703 -10.476 1.00 0.00 H new ATOM 66 N GLU A 6 13.482 -3.225 -11.326 1.00 0.00 N ATOM 67 CA GLU A 6 12.532 -2.111 -11.398 1.00 0.00 C ATOM 68 C GLU A 6 12.351 -1.554 -10.001 1.00 0.00 C ATOM 69 O GLU A 6 12.879 -2.126 -9.037 1.00 0.00 O ATOM 70 CB GLU A 6 11.152 -2.515 -12.000 1.00 0.00 C ATOM 71 CG GLU A 6 10.301 -3.451 -11.142 1.00 0.00 C ATOM 72 CD GLU A 6 8.978 -3.798 -11.818 1.00 0.00 C ATOM 73 OE1 GLU A 6 8.428 -2.931 -12.548 1.00 0.00 O ATOM 74 OE2 GLU A 6 8.480 -4.920 -11.627 1.00 0.00 O ATOM 0 H GLU A 6 14.049 -3.210 -10.478 1.00 0.00 H new ATOM 0 HA GLU A 6 12.943 -1.360 -12.073 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.580 -1.607 -12.191 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.323 -2.992 -12.965 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.858 -4.367 -10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.104 -2.981 -10.178 1.00 0.00 H new ATOM 81 N TRP A 7 11.628 -0.468 -9.875 1.00 0.00 N ATOM 82 CA TRP A 7 11.397 0.113 -8.569 1.00 0.00 C ATOM 83 C TRP A 7 10.170 -0.519 -7.917 1.00 0.00 C ATOM 84 O TRP A 7 9.068 -0.475 -8.462 1.00 0.00 O ATOM 85 CB TRP A 7 11.271 1.641 -8.690 1.00 0.00 C ATOM 86 CG TRP A 7 11.035 2.324 -7.392 1.00 0.00 C ATOM 87 CD1 TRP A 7 11.969 2.575 -6.441 1.00 0.00 C ATOM 88 CD2 TRP A 7 9.817 2.951 -6.939 1.00 0.00 C ATOM 89 NE1 TRP A 7 11.402 3.237 -5.387 1.00 0.00 N ATOM 90 CE2 TRP A 7 10.084 3.497 -5.673 1.00 0.00 C ATOM 91 CE3 TRP A 7 8.522 3.081 -7.469 1.00 0.00 C ATOM 92 CZ2 TRP A 7 9.121 4.165 -4.928 1.00 0.00 C ATOM 93 CZ3 TRP A 7 7.571 3.755 -6.724 1.00 0.00 C ATOM 94 CH2 TRP A 7 7.874 4.285 -5.467 1.00 0.00 C ATOM 0 H TRP A 7 11.192 0.030 -10.651 1.00 0.00 H new ATOM 0 HA TRP A 7 12.248 -0.096 -7.921 1.00 0.00 H new ATOM 0 HB2 TRP A 7 12.182 2.038 -9.139 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.452 1.877 -9.369 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.009 2.293 -6.507 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.882 3.496 -4.525 1.00 0.00 H new ATOM 0 HE3 TRP A 7 8.275 2.665 -8.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.352 4.575 -3.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 6.574 3.874 -7.122 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.105 4.800 -4.911 1.00 0.00 H new ATOM 105 N LEU A 8 10.370 -1.089 -6.726 1.00 0.00 N ATOM 106 CA LEU A 8 9.302 -1.791 -6.029 1.00 0.00 C ATOM 107 C LEU A 8 8.997 -1.100 -4.704 1.00 0.00 C ATOM 108 O LEU A 8 9.758 -1.214 -3.753 1.00 0.00 O ATOM 109 CB LEU A 8 9.689 -3.264 -5.789 1.00 0.00 C ATOM 110 CG LEU A 8 8.540 -4.207 -5.395 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.506 -4.277 -6.497 1.00 0.00 C ATOM 112 CD2 LEU A 8 9.071 -5.595 -5.095 1.00 0.00 C ATOM 0 H LEU A 8 11.261 -1.076 -6.230 1.00 0.00 H new ATOM 0 HA LEU A 8 8.407 -1.768 -6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.154 -3.649 -6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.445 -3.297 -5.005 1.00 0.00 H new ATOM 0 HG LEU A 8 8.068 -3.809 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.701 -4.949 -6.199 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.099 -3.282 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.971 -4.650 -7.409 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.244 -6.249 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.568 -5.993 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.783 -5.542 -4.272 1.00 0.00 H new ATOM 124 N PRO A 9 7.865 -0.381 -4.637 1.00 0.00 N ATOM 125 CA PRO A 9 7.489 0.398 -3.439 1.00 0.00 C ATOM 126 C PRO A 9 7.267 -0.482 -2.198 1.00 0.00 C ATOM 127 O PRO A 9 7.386 -0.018 -1.055 1.00 0.00 O ATOM 128 CB PRO A 9 6.149 1.040 -3.868 1.00 0.00 C ATOM 129 CG PRO A 9 5.637 0.143 -4.942 1.00 0.00 C ATOM 130 CD PRO A 9 6.848 -0.294 -5.696 1.00 0.00 C ATOM 0 HA PRO A 9 8.268 1.103 -3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.451 1.099 -3.033 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.294 2.056 -4.234 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.105 -0.711 -4.522 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.936 0.667 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.694 -1.253 -6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.126 0.423 -6.469 1.00 0.00 H new ATOM 138 N PHE A 10 6.909 -1.737 -2.444 1.00 0.00 N ATOM 139 CA PHE A 10 6.618 -2.705 -1.387 1.00 0.00 C ATOM 140 C PHE A 10 7.869 -2.958 -0.563 1.00 0.00 C ATOM 141 O PHE A 10 7.843 -3.043 0.659 1.00 0.00 O ATOM 142 CB PHE A 10 6.354 -4.057 -1.976 1.00 0.00 C ATOM 143 CG PHE A 10 5.229 -4.198 -2.923 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.174 -3.310 -2.968 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.265 -5.243 -3.811 1.00 0.00 C ATOM 146 CE1 PHE A 10 3.161 -3.477 -3.895 1.00 0.00 C ATOM 147 CE2 PHE A 10 4.278 -5.422 -4.740 1.00 0.00 C ATOM 148 CZ PHE A 10 3.216 -4.536 -4.787 1.00 0.00 C ATOM 0 H PHE A 10 6.811 -2.116 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 10 5.780 -2.302 -0.819 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.261 -4.381 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.186 -4.752 -1.153 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.139 -2.481 -2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.090 -5.939 -3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.332 -2.786 -3.923 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.327 -6.249 -5.433 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.432 -4.670 -5.517 1.00 0.00 H new ATOM 158 N ALA A 11 8.963 -3.091 -1.307 1.00 0.00 N ATOM 159 CA ALA A 11 10.182 -3.705 -0.846 1.00 0.00 C ATOM 160 C ALA A 11 11.337 -2.755 -0.664 1.00 0.00 C ATOM 161 O ALA A 11 11.406 -1.711 -1.293 1.00 0.00 O ATOM 162 CB ALA A 11 10.573 -4.785 -1.843 1.00 0.00 C ATOM 0 H ALA A 11 9.017 -2.763 -2.271 1.00 0.00 H new ATOM 0 HA ALA A 11 9.976 -4.107 0.146 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.495 -5.266 -1.516 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.778 -5.528 -1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.727 -4.336 -2.824 1.00 0.00 H new ATOM 168 N ARG A 12 12.239 -3.131 0.226 1.00 0.00 N ATOM 169 CA ARG A 12 13.462 -2.396 0.451 1.00 0.00 C ATOM 170 C ARG A 12 14.637 -3.380 0.471 1.00 0.00 C ATOM 171 O ARG A 12 15.075 -3.798 1.534 1.00 0.00 O ATOM 172 CB ARG A 12 13.390 -1.616 1.782 1.00 0.00 C ATOM 173 CG ARG A 12 14.607 -0.736 2.070 1.00 0.00 C ATOM 174 CD ARG A 12 14.692 0.450 1.131 1.00 0.00 C ATOM 175 NE ARG A 12 15.909 1.236 1.366 1.00 0.00 N ATOM 176 CZ ARG A 12 16.152 2.440 0.832 1.00 0.00 C ATOM 177 NH1 ARG A 12 15.236 3.029 0.056 1.00 0.00 N ATOM 178 NH2 ARG A 12 17.299 3.069 1.100 1.00 0.00 N ATOM 0 H ARG A 12 12.139 -3.959 0.813 1.00 0.00 H new ATOM 0 HA ARG A 12 13.604 -1.674 -0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.498 -0.989 1.773 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.271 -2.328 2.599 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.560 -0.380 3.099 1.00 0.00 H new ATOM 0 HG3 ARG A 12 15.514 -1.333 1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.677 0.100 0.099 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.816 1.085 1.265 1.00 0.00 H new ATOM 0 HE ARG A 12 16.620 0.837 1.979 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.349 2.561 -0.131 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.424 3.946 -0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.989 2.632 1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 12 17.485 3.986 0.694 1.00 0.00 H new ATOM 192 N PRO A 13 15.123 -3.818 -0.716 1.00 0.00 N ATOM 193 CA PRO A 13 16.218 -4.761 -0.787 1.00 0.00 C ATOM 194 C PRO A 13 17.466 -4.175 -0.173 1.00 0.00 C ATOM 195 O PRO A 13 17.742 -2.983 -0.302 1.00 0.00 O ATOM 196 CB PRO A 13 16.407 -5.038 -2.274 1.00 0.00 C ATOM 197 CG PRO A 13 15.176 -4.515 -2.925 1.00 0.00 C ATOM 198 CD PRO A 13 14.667 -3.409 -2.048 1.00 0.00 C ATOM 0 HA PRO A 13 16.011 -5.676 -0.233 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.298 -4.540 -2.658 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.531 -6.104 -2.464 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.394 -4.146 -3.927 1.00 0.00 H new ATOM 0 HG3 PRO A 13 14.429 -5.302 -3.030 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.077 -2.442 -2.337 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.582 -3.322 -2.095 1.00 0.00 H new ATOM 206 N THR A 14 18.239 -5.013 0.437 1.00 0.00 N ATOM 207 CA THR A 14 19.370 -4.561 1.227 1.00 0.00 C ATOM 208 C THR A 14 20.656 -4.442 0.385 1.00 0.00 C ATOM 209 O THR A 14 21.709 -4.117 0.904 1.00 0.00 O ATOM 210 CB THR A 14 19.591 -5.494 2.463 1.00 0.00 C ATOM 211 OG1 THR A 14 20.316 -4.810 3.483 1.00 0.00 O ATOM 212 CG2 THR A 14 20.335 -6.763 2.076 1.00 0.00 C ATOM 0 H THR A 14 18.118 -6.025 0.411 1.00 0.00 H new ATOM 0 HA THR A 14 19.133 -3.560 1.589 1.00 0.00 H new ATOM 0 HB THR A 14 18.607 -5.772 2.841 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.047 -4.298 3.078 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.472 -7.388 2.958 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.758 -7.310 1.330 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.309 -6.502 1.662 1.00 0.00 H new ATOM 220 N GLN A 15 20.563 -4.713 -0.928 1.00 0.00 N ATOM 221 CA GLN A 15 21.772 -4.681 -1.771 1.00 0.00 C ATOM 222 C GLN A 15 21.541 -3.888 -3.057 1.00 0.00 C ATOM 223 O GLN A 15 22.453 -3.434 -3.663 1.00 0.00 O ATOM 224 CB GLN A 15 22.213 -6.097 -2.149 1.00 0.00 C ATOM 225 CG GLN A 15 21.945 -7.132 -1.095 1.00 0.00 C ATOM 226 CD GLN A 15 20.749 -7.915 -1.464 1.00 0.00 C ATOM 227 OE1 GLN A 15 20.843 -8.964 -2.063 1.00 0.00 O ATOM 228 NE2 GLN A 15 19.594 -7.363 -1.164 1.00 0.00 N ATOM 0 H GLN A 15 19.698 -4.948 -1.415 1.00 0.00 H new ATOM 0 HA GLN A 15 22.550 -4.194 -1.183 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.703 -6.390 -3.067 1.00 0.00 H new ATOM 0 HB3 GLN A 15 23.281 -6.086 -2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.806 -7.792 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.794 -6.651 -0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.568 -6.478 -0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.724 -7.820 -1.437 1.00 0.00 H new ATOM 237 N LEU A 16 20.302 -3.659 -3.381 1.00 0.00 N ATOM 238 CA LEU A 16 19.901 -3.047 -4.651 1.00 0.00 C ATOM 239 C LEU A 16 19.953 -1.532 -4.651 1.00 0.00 C ATOM 240 O LEU A 16 19.797 -0.898 -5.695 1.00 0.00 O ATOM 241 CB LEU A 16 18.516 -3.591 -5.054 1.00 0.00 C ATOM 242 CG LEU A 16 17.690 -2.741 -6.008 1.00 0.00 C ATOM 243 CD1 LEU A 16 16.810 -3.613 -6.876 1.00 0.00 C ATOM 244 CD2 LEU A 16 16.829 -1.810 -5.178 1.00 0.00 C ATOM 0 H LEU A 16 19.516 -3.889 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 16 20.636 -3.332 -5.404 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.657 -4.571 -5.509 1.00 0.00 H new ATOM 0 HB3 LEU A 16 17.934 -3.742 -4.145 1.00 0.00 H new ATOM 0 HG LEU A 16 18.351 -2.173 -6.663 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.228 -2.985 -7.551 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.432 -4.292 -7.459 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.135 -4.191 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 16 16.225 -1.188 -5.838 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.175 -2.397 -4.534 1.00 0.00 H new ATOM 0 HD23 LEU A 16 17.467 -1.175 -4.564 1.00 0.00 H new ATOM 256 N THR A 17 20.230 -0.977 -3.523 1.00 0.00 N ATOM 257 CA THR A 17 20.186 0.453 -3.358 1.00 0.00 C ATOM 258 C THR A 17 21.197 1.126 -4.296 1.00 0.00 C ATOM 259 O THR A 17 20.879 2.114 -4.940 1.00 0.00 O ATOM 260 CB THR A 17 20.425 0.863 -1.867 1.00 0.00 C ATOM 261 OG1 THR A 17 20.213 2.269 -1.687 1.00 0.00 O ATOM 262 CG2 THR A 17 21.823 0.477 -1.382 1.00 0.00 C ATOM 0 H THR A 17 20.494 -1.492 -2.683 1.00 0.00 H new ATOM 0 HA THR A 17 19.188 0.799 -3.627 1.00 0.00 H new ATOM 0 HB THR A 17 19.702 0.313 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 17 20.366 2.505 -0.748 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.944 0.781 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.951 -0.603 -1.462 1.00 0.00 H new ATOM 0 HG23 THR A 17 22.572 0.977 -1.996 1.00 0.00 H new ATOM 270 N ASP A 18 22.410 0.609 -4.342 1.00 0.00 N ATOM 271 CA ASP A 18 23.390 1.087 -5.259 1.00 0.00 C ATOM 272 C ASP A 18 23.757 -0.015 -6.212 1.00 0.00 C ATOM 273 O ASP A 18 24.651 0.138 -7.049 1.00 0.00 O ATOM 274 CB ASP A 18 24.640 1.690 -4.561 1.00 0.00 C ATOM 275 CG ASP A 18 25.281 0.802 -3.500 1.00 0.00 C ATOM 276 OD1 ASP A 18 24.562 -0.007 -2.858 1.00 0.00 O ATOM 277 OD2 ASP A 18 26.506 0.939 -3.277 1.00 0.00 O ATOM 0 H ASP A 18 22.729 -0.151 -3.741 1.00 0.00 H new ATOM 0 HA ASP A 18 22.951 1.915 -5.816 1.00 0.00 H new ATOM 0 HB2 ASP A 18 25.387 1.918 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 18 24.358 2.636 -4.099 1.00 0.00 H new ATOM 282 N GLU A 19 23.035 -1.139 -6.115 1.00 0.00 N ATOM 283 CA GLU A 19 23.379 -2.281 -6.888 1.00 0.00 C ATOM 284 C GLU A 19 22.127 -2.811 -7.550 1.00 0.00 C ATOM 285 O GLU A 19 21.539 -3.800 -7.149 1.00 0.00 O ATOM 286 CB GLU A 19 23.965 -3.330 -6.006 1.00 0.00 C ATOM 287 CG GLU A 19 25.211 -2.863 -5.309 1.00 0.00 C ATOM 288 CD GLU A 19 25.872 -3.912 -4.394 1.00 0.00 C ATOM 289 OE1 GLU A 19 25.162 -4.600 -3.639 1.00 0.00 O ATOM 290 OE2 GLU A 19 27.130 -4.033 -4.427 1.00 0.00 O ATOM 0 H GLU A 19 22.223 -1.256 -5.509 1.00 0.00 H new ATOM 0 HA GLU A 19 24.114 -2.009 -7.646 1.00 0.00 H new ATOM 0 HB2 GLU A 19 23.227 -3.629 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 19 24.195 -4.214 -6.601 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.935 -2.550 -6.061 1.00 0.00 H new ATOM 0 HG3 GLU A 19 24.969 -1.983 -4.713 1.00 0.00 H new ATOM 297 N PHE A 20 21.707 -2.080 -8.479 1.00 0.00 N ATOM 298 CA PHE A 20 20.587 -2.388 -9.316 1.00 0.00 C ATOM 299 C PHE A 20 20.828 -3.612 -10.191 1.00 0.00 C ATOM 300 O PHE A 20 19.919 -4.405 -10.436 1.00 0.00 O ATOM 301 CB PHE A 20 20.211 -1.158 -10.111 1.00 0.00 C ATOM 302 CG PHE A 20 19.631 -0.069 -9.238 1.00 0.00 C ATOM 303 CD1 PHE A 20 18.270 -0.039 -8.960 1.00 0.00 C ATOM 304 CD2 PHE A 20 20.439 0.921 -8.699 1.00 0.00 C ATOM 305 CE1 PHE A 20 17.733 0.957 -8.167 1.00 0.00 C ATOM 306 CE2 PHE A 20 19.903 1.920 -7.913 1.00 0.00 C ATOM 307 CZ PHE A 20 18.550 1.937 -7.644 1.00 0.00 C ATOM 0 H PHE A 20 22.144 -1.189 -8.712 1.00 0.00 H new ATOM 0 HA PHE A 20 19.741 -2.663 -8.686 1.00 0.00 H new ATOM 0 HB2 PHE A 20 21.093 -0.777 -10.626 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.486 -1.431 -10.878 1.00 0.00 H new ATOM 0 HD1 PHE A 20 17.625 -0.803 -9.368 1.00 0.00 H new ATOM 0 HD2 PHE A 20 21.501 0.910 -8.897 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.674 0.968 -7.957 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.543 2.690 -7.508 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.131 2.717 -7.025 1.00 0.00 H new ATOM 317 N GLU A 21 22.043 -3.759 -10.669 1.00 0.00 N ATOM 318 CA GLU A 21 22.350 -4.800 -11.659 1.00 0.00 C ATOM 319 C GLU A 21 23.203 -5.930 -11.092 1.00 0.00 C ATOM 320 O GLU A 21 24.258 -5.693 -10.508 1.00 0.00 O ATOM 321 CB GLU A 21 23.033 -4.184 -12.868 1.00 0.00 C ATOM 322 CG GLU A 21 22.125 -3.280 -13.669 1.00 0.00 C ATOM 323 CD GLU A 21 22.836 -2.626 -14.824 1.00 0.00 C ATOM 324 OE1 GLU A 21 23.973 -2.172 -14.636 1.00 0.00 O ATOM 325 OE2 GLU A 21 22.261 -2.601 -15.935 1.00 0.00 O ATOM 0 H GLU A 21 22.839 -3.181 -10.399 1.00 0.00 H new ATOM 0 HA GLU A 21 21.400 -5.243 -11.956 1.00 0.00 H new ATOM 0 HB2 GLU A 21 23.901 -3.614 -12.536 1.00 0.00 H new ATOM 0 HB3 GLU A 21 23.403 -4.981 -13.513 1.00 0.00 H new ATOM 0 HG2 GLU A 21 21.282 -3.859 -14.046 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.716 -2.510 -13.015 1.00 0.00 H new ATOM 332 N PHE A 22 22.723 -7.169 -11.267 1.00 0.00 N ATOM 333 CA PHE A 22 23.423 -8.353 -10.768 1.00 0.00 C ATOM 334 C PHE A 22 23.431 -9.490 -11.796 1.00 0.00 C ATOM 335 O PHE A 22 22.589 -9.539 -12.676 1.00 0.00 O ATOM 336 CB PHE A 22 22.785 -8.833 -9.468 1.00 0.00 C ATOM 337 CG PHE A 22 23.221 -8.051 -8.279 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.388 -8.381 -7.609 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.478 -6.981 -7.834 1.00 0.00 C ATOM 340 CE1 PHE A 22 24.800 -7.665 -6.514 1.00 0.00 C ATOM 341 CE2 PHE A 22 22.889 -6.261 -6.738 1.00 0.00 C ATOM 342 CZ PHE A 22 24.052 -6.600 -6.080 1.00 0.00 C ATOM 0 H PHE A 22 21.850 -7.374 -11.752 1.00 0.00 H new ATOM 0 HA PHE A 22 24.458 -8.066 -10.583 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.701 -8.771 -9.558 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.033 -9.883 -9.315 1.00 0.00 H new ATOM 0 HD1 PHE A 22 24.982 -9.214 -7.954 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.569 -6.706 -8.348 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.708 -7.938 -5.997 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.298 -5.426 -6.391 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.374 -6.027 -5.223 1.00 0.00 H new ATOM 352 N PRO A 23 24.411 -10.411 -11.676 1.00 0.00 N ATOM 353 CA PRO A 23 24.589 -11.571 -12.561 1.00 0.00 C ATOM 354 C PRO A 23 23.515 -12.637 -12.379 1.00 0.00 C ATOM 355 O PRO A 23 22.821 -12.661 -11.364 1.00 0.00 O ATOM 356 CB PRO A 23 25.978 -12.095 -12.191 1.00 0.00 C ATOM 357 CG PRO A 23 26.118 -11.758 -10.760 1.00 0.00 C ATOM 358 CD PRO A 23 25.457 -10.408 -10.609 1.00 0.00 C ATOM 0 HA PRO A 23 24.499 -11.295 -13.612 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.057 -13.169 -12.358 1.00 0.00 H new ATOM 0 HB3 PRO A 23 26.756 -11.622 -12.790 1.00 0.00 H new ATOM 0 HG2 PRO A 23 25.637 -12.506 -10.130 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.166 -11.719 -10.465 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.020 -10.284 -9.618 1.00 0.00 H new ATOM 0 HD3 PRO A 23 26.169 -9.595 -10.747 1.00 0.00 H new ATOM 366 N ILE A 24 23.381 -13.512 -13.366 1.00 0.00 N ATOM 367 CA ILE A 24 22.350 -14.540 -13.347 1.00 0.00 C ATOM 368 C ILE A 24 22.658 -15.516 -12.229 1.00 0.00 C ATOM 369 O ILE A 24 23.802 -15.954 -12.064 1.00 0.00 O ATOM 370 CB ILE A 24 22.296 -15.350 -14.692 1.00 0.00 C ATOM 371 CG1 ILE A 24 21.933 -14.459 -15.885 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.291 -16.495 -14.598 1.00 0.00 C ATOM 373 CD1 ILE A 24 23.071 -13.598 -16.388 1.00 0.00 C ATOM 0 H ILE A 24 23.977 -13.530 -14.194 1.00 0.00 H new ATOM 0 HA ILE A 24 21.390 -14.044 -13.203 1.00 0.00 H new ATOM 0 HB ILE A 24 23.296 -15.753 -14.854 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.582 -15.090 -16.701 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.102 -13.813 -15.602 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.272 -17.041 -15.541 1.00 0.00 H new ATOM 0 HG22 ILE A 24 21.583 -17.170 -13.794 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.299 -16.093 -14.392 1.00 0.00 H new ATOM 0 HD11 ILE A 24 22.729 -13.000 -17.232 1.00 0.00 H new ATOM 0 HD12 ILE A 24 23.409 -12.938 -15.589 1.00 0.00 H new ATOM 0 HD13 ILE A 24 23.896 -14.235 -16.706 1.00 0.00 H new ATOM 385 N GLY A 25 21.633 -15.842 -11.457 1.00 0.00 N ATOM 386 CA GLY A 25 21.828 -16.659 -10.294 1.00 0.00 C ATOM 387 C GLY A 25 22.162 -15.844 -9.054 1.00 0.00 C ATOM 388 O GLY A 25 22.677 -16.377 -8.085 1.00 0.00 O ATOM 0 H GLY A 25 20.669 -15.551 -11.622 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.926 -17.242 -10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.633 -17.369 -10.485 1.00 0.00 H new ATOM 392 N THR A 26 21.841 -14.555 -9.081 1.00 0.00 N ATOM 393 CA THR A 26 22.067 -13.719 -7.924 1.00 0.00 C ATOM 394 C THR A 26 20.746 -13.300 -7.356 1.00 0.00 C ATOM 395 O THR A 26 19.866 -12.816 -8.063 1.00 0.00 O ATOM 396 CB THR A 26 22.895 -12.463 -8.251 1.00 0.00 C ATOM 397 OG1 THR A 26 24.151 -12.858 -8.779 1.00 0.00 O ATOM 398 CG2 THR A 26 23.138 -11.631 -6.989 1.00 0.00 C ATOM 0 H THR A 26 21.429 -14.078 -9.883 1.00 0.00 H new ATOM 0 HA THR A 26 22.636 -14.307 -7.204 1.00 0.00 H new ATOM 0 HB THR A 26 22.344 -11.863 -8.975 1.00 0.00 H new ATOM 0 HG1 THR A 26 24.869 -12.399 -8.295 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.725 -10.748 -7.243 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.182 -11.322 -6.567 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.681 -12.230 -6.257 1.00 0.00 H new ATOM 406 N TYR A 27 20.608 -13.514 -6.091 1.00 0.00 N ATOM 407 CA TYR A 27 19.413 -13.233 -5.396 1.00 0.00 C ATOM 408 C TYR A 27 19.621 -11.957 -4.631 1.00 0.00 C ATOM 409 O TYR A 27 20.621 -11.803 -3.931 1.00 0.00 O ATOM 410 CB TYR A 27 19.187 -14.382 -4.385 1.00 0.00 C ATOM 411 CG TYR A 27 18.781 -15.726 -4.972 1.00 0.00 C ATOM 412 CD1 TYR A 27 19.658 -16.463 -5.760 1.00 0.00 C ATOM 413 CD2 TYR A 27 17.546 -16.283 -4.674 1.00 0.00 C ATOM 414 CE1 TYR A 27 19.309 -17.708 -6.241 1.00 0.00 C ATOM 415 CE2 TYR A 27 17.189 -17.523 -5.154 1.00 0.00 C ATOM 416 CZ TYR A 27 18.072 -18.232 -5.938 1.00 0.00 C ATOM 417 OH TYR A 27 17.710 -19.473 -6.424 1.00 0.00 O ATOM 0 H TYR A 27 21.347 -13.899 -5.503 1.00 0.00 H new ATOM 0 HA TYR A 27 18.564 -13.139 -6.073 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.105 -14.521 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.417 -14.070 -3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.628 -16.054 -5.999 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.852 -15.734 -4.054 1.00 0.00 H new ATOM 0 HE1 TYR A 27 20.002 -18.268 -6.851 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.221 -17.938 -4.917 1.00 0.00 H new ATOM 0 HH TYR A 27 16.806 -19.694 -6.116 1.00 0.00 H new ATOM 427 N LEU A 28 18.701 -11.049 -4.757 1.00 0.00 N ATOM 428 CA LEU A 28 18.747 -9.873 -3.952 1.00 0.00 C ATOM 429 C LEU A 28 17.774 -9.978 -2.874 1.00 0.00 C ATOM 430 O LEU A 28 16.608 -10.321 -3.083 1.00 0.00 O ATOM 431 CB LEU A 28 18.582 -8.539 -4.704 1.00 0.00 C ATOM 432 CG LEU A 28 19.684 -8.167 -5.686 1.00 0.00 C ATOM 433 CD1 LEU A 28 21.024 -8.729 -5.251 1.00 0.00 C ATOM 434 CD2 LEU A 28 19.339 -8.633 -7.054 1.00 0.00 C ATOM 0 H LEU A 28 17.916 -11.101 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 28 19.763 -9.834 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.638 -8.569 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.500 -7.741 -3.967 1.00 0.00 H new ATOM 0 HG LEU A 28 19.769 -7.080 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.789 -8.445 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 28 21.285 -8.330 -4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 28 20.962 -9.816 -5.196 1.00 0.00 H new ATOM 0 HD21 LEU A 28 20.137 -8.359 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 28 19.219 -9.716 -7.050 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.407 -8.166 -7.373 1.00 0.00 H new ATOM 446 N ASN A 29 18.230 -9.646 -1.729 1.00 0.00 N ATOM 447 CA ASN A 29 17.469 -9.778 -0.553 1.00 0.00 C ATOM 448 C ASN A 29 16.417 -8.685 -0.514 1.00 0.00 C ATOM 449 O ASN A 29 16.698 -7.507 -0.300 1.00 0.00 O ATOM 450 CB ASN A 29 18.414 -9.643 0.658 1.00 0.00 C ATOM 451 CG ASN A 29 17.836 -10.205 1.943 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.026 -11.116 1.917 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.274 -9.679 3.077 1.00 0.00 N ATOM 0 H ASN A 29 19.165 -9.266 -1.581 1.00 0.00 H new ATOM 0 HA ASN A 29 16.973 -10.748 -0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.351 -10.154 0.436 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.653 -8.590 0.807 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.933 -10.036 3.970 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.952 -8.917 3.057 1.00 0.00 H new ATOM 460 N TYR A 30 15.218 -9.144 -0.762 1.00 0.00 N ATOM 461 CA TYR A 30 13.957 -8.394 -0.760 1.00 0.00 C ATOM 462 C TYR A 30 13.109 -8.675 0.433 1.00 0.00 C ATOM 463 O TYR A 30 12.981 -9.808 0.878 1.00 0.00 O ATOM 464 CB TYR A 30 13.135 -8.662 -2.034 1.00 0.00 C ATOM 465 CG TYR A 30 13.527 -7.867 -3.248 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.750 -7.996 -3.888 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.600 -6.987 -3.778 1.00 0.00 C ATOM 468 CE1 TYR A 30 15.030 -7.237 -5.019 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.862 -6.241 -4.889 1.00 0.00 C ATOM 470 CZ TYR A 30 14.072 -6.356 -5.507 1.00 0.00 C ATOM 471 OH TYR A 30 14.333 -5.603 -6.618 1.00 0.00 O ATOM 0 H TYR A 30 15.070 -10.127 -0.990 1.00 0.00 H new ATOM 0 HA TYR A 30 14.249 -7.344 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.213 -9.722 -2.277 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.086 -8.461 -1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.487 -8.688 -3.507 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.638 -6.888 -3.296 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.985 -7.331 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.116 -5.563 -5.277 1.00 0.00 H new ATOM 0 HH TYR A 30 13.556 -5.042 -6.823 1.00 0.00 H new ATOM 481 N GLU A 31 12.553 -7.612 0.959 1.00 0.00 N ATOM 482 CA GLU A 31 11.681 -7.679 2.078 1.00 0.00 C ATOM 483 C GLU A 31 10.472 -6.798 1.836 1.00 0.00 C ATOM 484 O GLU A 31 10.569 -5.775 1.158 1.00 0.00 O ATOM 485 CB GLU A 31 12.401 -7.213 3.339 1.00 0.00 C ATOM 486 CG GLU A 31 12.750 -5.730 3.342 1.00 0.00 C ATOM 487 CD GLU A 31 13.438 -5.312 4.617 1.00 0.00 C ATOM 488 OE1 GLU A 31 13.130 -5.893 5.682 1.00 0.00 O ATOM 489 OE2 GLU A 31 14.294 -4.416 4.572 1.00 0.00 O ATOM 0 H GLU A 31 12.704 -6.666 0.607 1.00 0.00 H new ATOM 0 HA GLU A 31 11.362 -8.713 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.774 -7.430 4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.317 -7.791 3.456 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.396 -5.508 2.492 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.840 -5.144 3.212 1.00 0.00 H new ATOM 496 N CYS A 32 9.344 -7.198 2.372 1.00 0.00 N ATOM 497 CA CYS A 32 8.146 -6.387 2.301 1.00 0.00 C ATOM 498 C CYS A 32 8.105 -5.505 3.512 1.00 0.00 C ATOM 499 O CYS A 32 8.581 -5.895 4.585 1.00 0.00 O ATOM 500 CB CYS A 32 6.871 -7.234 2.329 1.00 0.00 C ATOM 501 SG CYS A 32 6.616 -8.341 0.932 1.00 0.00 S ATOM 0 H CYS A 32 9.228 -8.083 2.865 1.00 0.00 H new ATOM 0 HA CYS A 32 8.181 -5.827 1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.877 -7.831 3.241 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.015 -6.562 2.393 1.00 0.00 H new ATOM 506 N ARG A 33 7.588 -4.307 3.349 1.00 0.00 N ATOM 507 CA ARG A 33 7.357 -3.451 4.487 1.00 0.00 C ATOM 508 C ARG A 33 6.418 -4.198 5.454 1.00 0.00 C ATOM 509 O ARG A 33 5.722 -5.142 5.037 1.00 0.00 O ATOM 510 CB ARG A 33 6.765 -2.109 4.020 1.00 0.00 C ATOM 511 CG ARG A 33 7.809 -1.166 3.434 1.00 0.00 C ATOM 512 CD ARG A 33 7.202 -0.181 2.442 1.00 0.00 C ATOM 513 NE ARG A 33 6.290 0.782 3.073 1.00 0.00 N ATOM 514 CZ ARG A 33 5.602 1.698 2.382 1.00 0.00 C ATOM 515 NH1 ARG A 33 5.692 1.730 1.053 1.00 0.00 N ATOM 516 NH2 ARG A 33 4.817 2.571 3.016 1.00 0.00 N ATOM 0 H ARG A 33 7.323 -3.908 2.448 1.00 0.00 H new ATOM 0 HA ARG A 33 8.288 -3.221 5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.995 -2.299 3.272 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.276 -1.621 4.863 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.292 -0.615 4.241 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.584 -1.749 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 33 8.004 0.361 1.941 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.662 -0.734 1.674 1.00 0.00 H new ATOM 0 HE ARG A 33 6.176 0.751 4.086 1.00 0.00 H new ATOM 0 HH11 ARG A 33 6.284 1.057 0.566 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.169 2.427 0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.739 2.542 4.033 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.295 3.267 2.484 1.00 0.00 H new ATOM 530 N PRO A 34 6.361 -3.812 6.725 1.00 0.00 N ATOM 531 CA PRO A 34 5.570 -4.553 7.700 1.00 0.00 C ATOM 532 C PRO A 34 4.085 -4.592 7.338 1.00 0.00 C ATOM 533 O PRO A 34 3.537 -3.639 6.798 1.00 0.00 O ATOM 534 CB PRO A 34 5.805 -3.788 9.020 1.00 0.00 C ATOM 535 CG PRO A 34 7.032 -2.963 8.784 1.00 0.00 C ATOM 536 CD PRO A 34 7.071 -2.670 7.318 1.00 0.00 C ATOM 0 HA PRO A 34 5.866 -5.601 7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.950 -3.159 9.268 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.948 -4.476 9.853 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.996 -2.040 9.363 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.927 -3.501 9.096 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.580 -1.726 7.084 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.094 -2.597 6.950 1.00 0.00 H new ATOM 544 N GLY A 35 3.450 -5.720 7.649 1.00 0.00 N ATOM 545 CA GLY A 35 2.057 -5.908 7.321 1.00 0.00 C ATOM 546 C GLY A 35 1.797 -6.483 5.920 1.00 0.00 C ATOM 547 O GLY A 35 0.654 -6.506 5.471 1.00 0.00 O ATOM 0 H GLY A 35 3.885 -6.510 8.126 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.611 -6.573 8.060 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.546 -4.949 7.406 1.00 0.00 H new ATOM 551 N TYR A 36 2.835 -6.960 5.223 1.00 0.00 N ATOM 552 CA TYR A 36 2.587 -7.624 3.941 1.00 0.00 C ATOM 553 C TYR A 36 2.742 -9.135 4.032 1.00 0.00 C ATOM 554 O TYR A 36 3.738 -9.661 4.516 1.00 0.00 O ATOM 555 CB TYR A 36 3.452 -7.088 2.804 1.00 0.00 C ATOM 556 CG TYR A 36 3.122 -5.683 2.311 1.00 0.00 C ATOM 557 CD1 TYR A 36 2.077 -5.494 1.412 1.00 0.00 C ATOM 558 CD2 TYR A 36 3.856 -4.573 2.693 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.767 -4.247 0.920 1.00 0.00 C ATOM 560 CE2 TYR A 36 3.554 -3.313 2.194 1.00 0.00 C ATOM 561 CZ TYR A 36 2.505 -3.163 1.307 1.00 0.00 C ATOM 562 OH TYR A 36 2.193 -1.913 0.808 1.00 0.00 O ATOM 0 H TYR A 36 3.812 -6.903 5.509 1.00 0.00 H new ATOM 0 HA TYR A 36 1.549 -7.390 3.706 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.492 -7.101 3.129 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.373 -7.774 1.961 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.495 -6.346 1.093 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.674 -4.689 3.388 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.944 -4.125 0.231 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.136 -2.455 2.497 1.00 0.00 H new ATOM 0 HH TYR A 36 1.376 -1.584 1.238 1.00 0.00 H new ATOM 572 N SER A 37 1.714 -9.800 3.532 1.00 0.00 N ATOM 573 CA SER A 37 1.563 -11.271 3.551 1.00 0.00 C ATOM 574 C SER A 37 2.651 -12.065 2.795 1.00 0.00 C ATOM 575 O SER A 37 3.107 -13.102 3.256 1.00 0.00 O ATOM 576 CB SER A 37 0.191 -11.662 3.029 1.00 0.00 C ATOM 577 OG SER A 37 -0.833 -10.949 3.703 1.00 0.00 O ATOM 0 H SER A 37 0.928 -9.328 3.084 1.00 0.00 H new ATOM 0 HA SER A 37 1.683 -11.547 4.599 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.135 -11.461 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.040 -12.733 3.161 1.00 0.00 H new ATOM 0 HG SER A 37 -1.706 -11.217 3.348 1.00 0.00 H new ATOM 583 N GLY A 38 3.036 -11.551 1.614 1.00 0.00 N ATOM 584 CA GLY A 38 3.815 -12.345 0.645 1.00 0.00 C ATOM 585 C GLY A 38 5.166 -12.819 1.097 1.00 0.00 C ATOM 586 O GLY A 38 5.528 -13.962 0.834 1.00 0.00 O ATOM 0 H GLY A 38 2.824 -10.601 1.309 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.224 -13.217 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.948 -11.747 -0.257 1.00 0.00 H new ATOM 590 N ARG A 39 5.878 -11.969 1.774 1.00 0.00 N ATOM 591 CA ARG A 39 7.226 -12.286 2.290 1.00 0.00 C ATOM 592 C ARG A 39 8.135 -12.896 1.180 1.00 0.00 C ATOM 593 O ARG A 39 8.393 -14.107 1.152 1.00 0.00 O ATOM 594 CB ARG A 39 7.093 -13.244 3.458 1.00 0.00 C ATOM 595 CG ARG A 39 8.008 -12.941 4.632 1.00 0.00 C ATOM 596 CD ARG A 39 9.467 -13.028 4.239 1.00 0.00 C ATOM 597 NE ARG A 39 10.338 -12.802 5.389 1.00 0.00 N ATOM 598 CZ ARG A 39 11.225 -13.683 5.842 1.00 0.00 C ATOM 599 NH1 ARG A 39 11.356 -14.864 5.250 1.00 0.00 N ATOM 600 NH2 ARG A 39 11.967 -13.391 6.895 1.00 0.00 N ATOM 0 H ARG A 39 5.562 -11.026 1.998 1.00 0.00 H new ATOM 0 HA ARG A 39 7.702 -11.363 2.622 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.060 -13.230 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.297 -14.255 3.107 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.792 -11.943 5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.806 -13.642 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.673 -14.009 3.811 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.683 -12.291 3.466 1.00 0.00 H new ATOM 0 HE ARG A 39 10.261 -11.910 5.877 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.775 -15.098 4.445 1.00 0.00 H new ATOM 0 HH12 ARG A 39 12.037 -15.537 5.600 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.860 -12.490 7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.647 -14.067 7.243 1.00 0.00 H new ATOM 614 N PRO A 40 8.597 -12.049 0.245 1.00 0.00 N ATOM 615 CA PRO A 40 9.401 -12.474 -0.910 1.00 0.00 C ATOM 616 C PRO A 40 10.716 -13.028 -0.475 1.00 0.00 C ATOM 617 O PRO A 40 11.287 -12.550 0.502 1.00 0.00 O ATOM 618 CB PRO A 40 9.654 -11.173 -1.680 1.00 0.00 C ATOM 619 CG PRO A 40 8.713 -10.197 -1.092 1.00 0.00 C ATOM 620 CD PRO A 40 8.508 -10.629 0.322 1.00 0.00 C ATOM 0 HA PRO A 40 8.897 -13.247 -1.490 1.00 0.00 H new ATOM 0 HB2 PRO A 40 10.687 -10.843 -1.570 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.473 -11.303 -2.747 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.119 -9.187 -1.137 1.00 0.00 H new ATOM 0 HG3 PRO A 40 7.770 -10.186 -1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.268 -10.213 0.984 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.540 -10.306 0.705 1.00 0.00 H new ATOM 628 N PHE A 41 11.212 -14.026 -1.152 1.00 0.00 N ATOM 629 CA PHE A 41 12.542 -14.428 -0.858 1.00 0.00 C ATOM 630 C PHE A 41 13.490 -13.475 -1.556 1.00 0.00 C ATOM 631 O PHE A 41 14.137 -12.639 -0.941 1.00 0.00 O ATOM 632 CB PHE A 41 12.805 -15.865 -1.288 1.00 0.00 C ATOM 633 CG PHE A 41 14.170 -16.355 -0.901 1.00 0.00 C ATOM 634 CD1 PHE A 41 14.432 -16.704 0.413 1.00 0.00 C ATOM 635 CD2 PHE A 41 15.183 -16.481 -1.835 1.00 0.00 C ATOM 636 CE1 PHE A 41 15.676 -17.165 0.791 1.00 0.00 C ATOM 637 CE2 PHE A 41 16.432 -16.940 -1.465 1.00 0.00 C ATOM 638 CZ PHE A 41 16.681 -17.281 -0.149 1.00 0.00 C ATOM 0 H PHE A 41 10.732 -14.553 -1.881 1.00 0.00 H new ATOM 0 HA PHE A 41 12.698 -14.392 0.220 1.00 0.00 H new ATOM 0 HB2 PHE A 41 12.052 -16.515 -0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.691 -15.941 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.651 -16.614 1.153 1.00 0.00 H new ATOM 0 HD2 PHE A 41 14.995 -16.217 -2.865 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.864 -17.435 1.820 1.00 0.00 H new ATOM 0 HE2 PHE A 41 17.214 -17.032 -2.204 1.00 0.00 H new ATOM 0 HZ PHE A 41 17.658 -17.637 0.143 1.00 0.00 H new ATOM 648 N SER A 42 13.536 -13.622 -2.858 1.00 0.00 N ATOM 649 CA SER A 42 14.337 -12.793 -3.728 1.00 0.00 C ATOM 650 C SER A 42 13.818 -12.855 -5.175 1.00 0.00 C ATOM 651 O SER A 42 12.924 -13.643 -5.496 1.00 0.00 O ATOM 652 CB SER A 42 15.804 -13.209 -3.694 1.00 0.00 C ATOM 653 OG SER A 42 16.330 -13.196 -2.378 1.00 0.00 O ATOM 0 H SER A 42 13.005 -14.338 -3.354 1.00 0.00 H new ATOM 0 HA SER A 42 14.256 -11.769 -3.363 1.00 0.00 H new ATOM 0 HB2 SER A 42 15.907 -14.209 -4.116 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.386 -12.536 -4.324 1.00 0.00 H new ATOM 0 HG SER A 42 15.724 -12.701 -1.788 1.00 0.00 H new ATOM 659 N ILE A 43 14.378 -12.008 -6.011 1.00 0.00 N ATOM 660 CA ILE A 43 14.178 -12.071 -7.456 1.00 0.00 C ATOM 661 C ILE A 43 15.550 -12.308 -8.085 1.00 0.00 C ATOM 662 O ILE A 43 16.562 -11.829 -7.565 1.00 0.00 O ATOM 663 CB ILE A 43 13.543 -10.798 -8.058 1.00 0.00 C ATOM 664 CG1 ILE A 43 14.401 -9.576 -7.791 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.113 -10.591 -7.607 1.00 0.00 C ATOM 666 CD1 ILE A 43 13.913 -8.343 -8.490 1.00 0.00 C ATOM 0 H ILE A 43 14.990 -11.249 -5.713 1.00 0.00 H new ATOM 0 HA ILE A 43 13.473 -12.875 -7.669 1.00 0.00 H new ATOM 0 HB ILE A 43 13.503 -10.946 -9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 43 14.430 -9.389 -6.718 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.424 -9.783 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 43 11.716 -9.682 -8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.508 -11.444 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.084 -10.498 -6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 43 14.572 -7.507 -8.256 1.00 0.00 H new ATOM 0 HD12 ILE A 43 13.910 -8.512 -9.567 1.00 0.00 H new ATOM 0 HD13 ILE A 43 12.901 -8.112 -8.156 1.00 0.00 H new ATOM 678 N ILE A 44 15.576 -13.076 -9.165 1.00 0.00 N ATOM 679 CA ILE A 44 16.840 -13.564 -9.776 1.00 0.00 C ATOM 680 C ILE A 44 16.773 -13.473 -11.326 1.00 0.00 C ATOM 681 O ILE A 44 15.691 -13.586 -11.880 1.00 0.00 O ATOM 682 CB ILE A 44 17.139 -15.033 -9.333 1.00 0.00 C ATOM 683 CG1 ILE A 44 16.810 -15.232 -7.848 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.605 -15.335 -9.527 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.398 -15.722 -7.579 1.00 0.00 C ATOM 0 H ILE A 44 14.736 -13.386 -9.653 1.00 0.00 H new ATOM 0 HA ILE A 44 17.651 -12.925 -9.426 1.00 0.00 H new ATOM 0 HB ILE A 44 16.523 -15.697 -9.939 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.516 -15.946 -7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.960 -14.287 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.809 -16.360 -9.217 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.865 -15.215 -10.579 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.201 -14.648 -8.925 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.251 -15.836 -6.505 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.682 -14.999 -7.969 1.00 0.00 H new ATOM 0 HD13 ILE A 44 15.247 -16.684 -8.070 1.00 0.00 H new ATOM 697 N CYS A 45 17.916 -13.228 -12.028 1.00 0.00 N ATOM 698 CA CYS A 45 17.884 -13.088 -13.532 1.00 0.00 C ATOM 699 C CYS A 45 17.527 -14.442 -14.244 1.00 0.00 C ATOM 700 O CYS A 45 18.067 -14.736 -15.320 1.00 0.00 O ATOM 701 CB CYS A 45 19.246 -12.752 -14.188 1.00 0.00 C ATOM 702 SG CYS A 45 20.461 -11.552 -13.530 1.00 0.00 S ATOM 0 H CYS A 45 18.840 -13.125 -11.608 1.00 0.00 H new ATOM 0 HA CYS A 45 17.154 -12.289 -13.661 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.778 -13.699 -14.275 1.00 0.00 H new ATOM 0 HB3 CYS A 45 19.017 -12.421 -15.201 1.00 0.00 H new ATOM 707 N LEU A 46 16.641 -15.214 -13.693 1.00 0.00 N ATOM 708 CA LEU A 46 16.445 -16.595 -14.158 1.00 0.00 C ATOM 709 C LEU A 46 15.957 -16.723 -15.588 1.00 0.00 C ATOM 710 O LEU A 46 16.440 -17.570 -16.330 1.00 0.00 O ATOM 711 CB LEU A 46 15.535 -17.364 -13.243 1.00 0.00 C ATOM 712 CG LEU A 46 16.098 -17.576 -11.867 1.00 0.00 C ATOM 713 CD1 LEU A 46 15.125 -18.309 -10.981 1.00 0.00 C ATOM 714 CD2 LEU A 46 17.468 -18.224 -11.886 1.00 0.00 C ATOM 0 H LEU A 46 16.034 -14.933 -12.923 1.00 0.00 H new ATOM 0 HA LEU A 46 17.445 -17.027 -14.136 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.586 -16.834 -13.160 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.320 -18.334 -13.691 1.00 0.00 H new ATOM 0 HG LEU A 46 16.247 -16.588 -11.432 1.00 0.00 H new ATOM 0 HD11 LEU A 46 15.564 -18.446 -9.993 1.00 0.00 H new ATOM 0 HD12 LEU A 46 14.206 -17.730 -10.893 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.900 -19.283 -11.416 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.824 -18.352 -10.864 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.403 -19.197 -12.372 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.163 -17.589 -12.435 1.00 0.00 H new ATOM 726 N LYS A 47 15.018 -15.898 -15.993 1.00 0.00 N ATOM 727 CA LYS A 47 14.499 -16.046 -17.338 1.00 0.00 C ATOM 728 C LYS A 47 14.976 -14.916 -18.195 1.00 0.00 C ATOM 729 O LYS A 47 14.756 -13.744 -17.882 1.00 0.00 O ATOM 730 CB LYS A 47 12.963 -16.097 -17.352 1.00 0.00 C ATOM 731 CG LYS A 47 12.312 -16.273 -18.755 1.00 0.00 C ATOM 732 CD LYS A 47 12.435 -17.720 -19.316 1.00 0.00 C ATOM 733 CE LYS A 47 13.800 -18.046 -19.925 1.00 0.00 C ATOM 734 NZ LYS A 47 13.854 -19.453 -20.434 1.00 0.00 N ATOM 0 H LYS A 47 14.610 -15.146 -15.438 1.00 0.00 H new ATOM 0 HA LYS A 47 14.869 -16.991 -17.735 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.638 -16.919 -16.714 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.582 -15.178 -16.906 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.258 -16.003 -18.695 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.779 -15.579 -19.454 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.231 -18.427 -18.512 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.667 -17.869 -20.075 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.009 -17.355 -20.741 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.578 -17.899 -19.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.793 -19.640 -20.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.679 -20.113 -19.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.128 -19.585 -21.167 1.00 0.00 H new ATOM 748 N ASN A 48 15.629 -15.283 -19.285 1.00 0.00 N ATOM 749 CA ASN A 48 16.157 -14.341 -20.261 1.00 0.00 C ATOM 750 C ASN A 48 17.101 -13.361 -19.596 1.00 0.00 C ATOM 751 O ASN A 48 17.213 -12.214 -20.024 1.00 0.00 O ATOM 752 CB ASN A 48 15.011 -13.571 -20.945 1.00 0.00 C ATOM 753 CG ASN A 48 14.196 -14.448 -21.884 1.00 0.00 C ATOM 754 OD1 ASN A 48 14.656 -15.506 -22.325 1.00 0.00 O ATOM 755 ND2 ASN A 48 12.987 -14.016 -22.206 1.00 0.00 N ATOM 0 H ASN A 48 15.811 -16.258 -19.521 1.00 0.00 H new ATOM 0 HA ASN A 48 16.704 -14.907 -21.015 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.354 -13.152 -20.183 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.425 -12.732 -21.505 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.402 -14.562 -22.838 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.641 -13.137 -21.822 1.00 0.00 H new ATOM 762 N SER A 49 17.828 -13.840 -18.579 1.00 0.00 N ATOM 763 CA SER A 49 18.757 -13.003 -17.835 1.00 0.00 C ATOM 764 C SER A 49 18.081 -11.746 -17.270 1.00 0.00 C ATOM 765 O SER A 49 18.754 -10.774 -16.956 1.00 0.00 O ATOM 766 CB SER A 49 19.942 -12.621 -18.724 1.00 0.00 C ATOM 767 OG SER A 49 20.486 -13.769 -19.364 1.00 0.00 O ATOM 0 H SER A 49 17.785 -14.807 -18.257 1.00 0.00 H new ATOM 0 HA SER A 49 19.115 -13.583 -16.984 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.621 -11.899 -19.475 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.711 -12.136 -18.123 1.00 0.00 H new ATOM 0 HG SER A 49 21.241 -13.502 -19.929 1.00 0.00 H new ATOM 773 N VAL A 50 16.763 -11.783 -17.115 1.00 0.00 N ATOM 774 CA VAL A 50 16.061 -10.644 -16.581 1.00 0.00 C ATOM 775 C VAL A 50 15.675 -10.920 -15.154 1.00 0.00 C ATOM 776 O VAL A 50 16.508 -10.814 -14.287 1.00 0.00 O ATOM 777 CB VAL A 50 14.822 -10.249 -17.426 1.00 0.00 C ATOM 778 CG1 VAL A 50 14.236 -8.934 -16.937 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.192 -10.142 -18.898 1.00 0.00 C ATOM 0 H VAL A 50 16.174 -12.582 -17.350 1.00 0.00 H new ATOM 0 HA VAL A 50 16.736 -9.789 -16.621 1.00 0.00 H new ATOM 0 HB VAL A 50 14.069 -11.029 -17.310 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.368 -8.675 -17.543 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.934 -9.036 -15.895 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.986 -8.147 -17.022 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.310 -9.864 -19.476 1.00 0.00 H new ATOM 0 HG22 VAL A 50 15.963 -9.382 -19.025 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.568 -11.103 -19.249 1.00 0.00 H new ATOM 789 N TRP A 51 14.431 -11.329 -14.896 1.00 0.00 N ATOM 790 CA TRP A 51 14.041 -11.661 -13.531 1.00 0.00 C ATOM 791 C TRP A 51 13.016 -12.772 -13.486 1.00 0.00 C ATOM 792 O TRP A 51 12.341 -13.060 -14.474 1.00 0.00 O ATOM 793 CB TRP A 51 13.578 -10.435 -12.738 1.00 0.00 C ATOM 794 CG TRP A 51 14.684 -9.433 -12.554 1.00 0.00 C ATOM 795 CD1 TRP A 51 14.868 -8.311 -13.275 1.00 0.00 C ATOM 796 CD2 TRP A 51 15.766 -9.479 -11.605 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.019 -7.675 -12.886 1.00 0.00 N ATOM 798 CE2 TRP A 51 16.574 -8.357 -11.842 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.128 -10.353 -10.600 1.00 0.00 C ATOM 800 CZ2 TRP A 51 17.733 -8.091 -11.085 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.266 -10.089 -9.858 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.049 -8.977 -10.106 1.00 0.00 C ATOM 0 H TRP A 51 13.696 -11.435 -15.596 1.00 0.00 H new ATOM 0 HA TRP A 51 14.941 -12.032 -13.040 1.00 0.00 H new ATOM 0 HB2 TRP A 51 12.743 -9.963 -13.256 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.210 -10.752 -11.762 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.203 -7.961 -14.051 1.00 0.00 H new ATOM 0 HE1 TRP A 51 16.399 -6.828 -13.309 1.00 0.00 H new ATOM 0 HE3 TRP A 51 15.532 -11.230 -10.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 18.343 -7.220 -11.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 17.549 -10.767 -9.067 1.00 0.00 H new ATOM 0 HH2 TRP A 51 18.932 -8.809 -9.507 1.00 0.00 H new ATOM 813 N THR A 52 12.943 -13.394 -12.339 1.00 0.00 N ATOM 814 CA THR A 52 12.043 -14.496 -12.069 1.00 0.00 C ATOM 815 C THR A 52 10.596 -14.031 -12.104 1.00 0.00 C ATOM 816 O THR A 52 9.700 -14.742 -12.549 1.00 0.00 O ATOM 817 CB THR A 52 12.346 -15.003 -10.661 1.00 0.00 C ATOM 818 OG1 THR A 52 12.174 -13.934 -9.718 1.00 0.00 O ATOM 819 CG2 THR A 52 13.771 -15.406 -10.607 1.00 0.00 C ATOM 0 H THR A 52 13.524 -13.144 -11.539 1.00 0.00 H new ATOM 0 HA THR A 52 12.182 -15.272 -12.822 1.00 0.00 H new ATOM 0 HB THR A 52 11.681 -15.834 -10.425 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.209 -14.293 -8.807 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.008 -15.772 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.954 -16.196 -11.335 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.401 -14.547 -10.838 1.00 0.00 H new ATOM 827 N GLY A 53 10.402 -12.820 -11.656 1.00 0.00 N ATOM 828 CA GLY A 53 9.097 -12.243 -11.590 1.00 0.00 C ATOM 829 C GLY A 53 8.857 -11.632 -10.230 1.00 0.00 C ATOM 830 O GLY A 53 8.595 -12.333 -9.267 1.00 0.00 O ATOM 0 H GLY A 53 11.149 -12.209 -11.327 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.991 -11.481 -12.362 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.345 -13.006 -11.790 1.00 0.00 H new ATOM 834 N ALA A 54 8.951 -10.327 -10.170 1.00 0.00 N ATOM 835 CA ALA A 54 8.791 -9.543 -8.946 1.00 0.00 C ATOM 836 C ALA A 54 7.312 -9.280 -8.619 1.00 0.00 C ATOM 837 O ALA A 54 6.989 -8.592 -7.644 1.00 0.00 O ATOM 838 CB ALA A 54 9.559 -8.229 -9.072 1.00 0.00 C ATOM 0 H ALA A 54 9.147 -9.753 -10.990 1.00 0.00 H new ATOM 0 HA ALA A 54 9.200 -10.123 -8.119 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.437 -7.647 -8.158 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.617 -8.440 -9.230 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.172 -7.661 -9.918 1.00 0.00 H new ATOM 844 N LYS A 55 6.437 -9.823 -9.434 1.00 0.00 N ATOM 845 CA LYS A 55 4.995 -9.566 -9.334 1.00 0.00 C ATOM 846 C LYS A 55 4.317 -10.202 -8.105 1.00 0.00 C ATOM 847 O LYS A 55 4.616 -11.335 -7.725 1.00 0.00 O ATOM 848 CB LYS A 55 4.227 -10.093 -10.504 1.00 0.00 C ATOM 849 CG LYS A 55 2.955 -9.304 -10.739 1.00 0.00 C ATOM 850 CD LYS A 55 2.253 -9.739 -11.982 1.00 0.00 C ATOM 851 CE LYS A 55 1.700 -11.134 -11.755 1.00 0.00 C ATOM 852 NZ LYS A 55 0.891 -11.633 -12.880 1.00 0.00 N ATOM 0 H LYS A 55 6.692 -10.458 -10.190 1.00 0.00 H new ATOM 0 HA LYS A 55 4.962 -8.478 -9.273 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.851 -10.053 -11.397 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.980 -11.141 -10.335 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.289 -9.425 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.194 -8.243 -10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.447 -9.046 -12.225 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.941 -9.736 -12.827 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.528 -11.821 -11.580 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.090 -11.133 -10.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.544 -12.589 -12.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.082 -10.998 -13.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.475 -11.665 -13.740 1.00 0.00 H new ATOM 866 N ASP A 56 3.408 -9.420 -7.507 1.00 0.00 N ATOM 867 CA ASP A 56 2.455 -9.867 -6.439 1.00 0.00 C ATOM 868 C ASP A 56 3.185 -10.424 -5.241 1.00 0.00 C ATOM 869 O ASP A 56 2.679 -11.279 -4.504 1.00 0.00 O ATOM 870 CB ASP A 56 1.521 -10.957 -7.018 1.00 0.00 C ATOM 871 CG ASP A 56 0.510 -10.426 -8.029 1.00 0.00 C ATOM 872 OD1 ASP A 56 0.304 -9.192 -8.090 1.00 0.00 O ATOM 873 OD2 ASP A 56 -0.069 -11.255 -8.790 1.00 0.00 O ATOM 0 H ASP A 56 3.299 -8.434 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 56 1.879 -9.001 -6.112 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.128 -11.727 -7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.985 -11.436 -6.199 1.00 0.00 H new ATOM 878 N ARG A 57 4.349 -9.917 -5.053 1.00 0.00 N ATOM 879 CA ARG A 57 5.196 -10.264 -3.946 1.00 0.00 C ATOM 880 C ARG A 57 4.713 -9.877 -2.557 1.00 0.00 C ATOM 881 O ARG A 57 4.900 -10.632 -1.603 1.00 0.00 O ATOM 882 CB ARG A 57 6.605 -9.928 -4.244 1.00 0.00 C ATOM 883 CG ARG A 57 7.112 -10.894 -5.276 1.00 0.00 C ATOM 884 CD ARG A 57 8.488 -10.609 -5.707 1.00 0.00 C ATOM 885 NE ARG A 57 8.954 -11.608 -6.679 1.00 0.00 N ATOM 886 CZ ARG A 57 9.634 -12.717 -6.350 1.00 0.00 C ATOM 887 NH1 ARG A 57 10.127 -12.859 -5.120 1.00 0.00 N ATOM 888 NH2 ARG A 57 9.854 -13.658 -7.261 1.00 0.00 N ATOM 0 H ARG A 57 4.761 -9.226 -5.680 1.00 0.00 H new ATOM 0 HA ARG A 57 5.128 -11.348 -3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.682 -8.905 -4.612 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.209 -9.988 -3.339 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.067 -11.905 -4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.453 -10.868 -6.144 1.00 0.00 H new ATOM 0 HD2 ARG A 57 8.535 -9.615 -6.151 1.00 0.00 H new ATOM 0 HD3 ARG A 57 9.150 -10.603 -4.841 1.00 0.00 H new ATOM 0 HE ARG A 57 8.748 -11.448 -7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.988 -12.124 -4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.644 -13.703 -4.872 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.506 -13.538 -8.212 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.371 -14.500 -7.009 1.00 0.00 H new ATOM 902 N CYS A 58 4.122 -8.715 -2.414 1.00 0.00 N ATOM 903 CA CYS A 58 3.655 -8.306 -1.099 1.00 0.00 C ATOM 904 C CYS A 58 2.159 -8.085 -1.175 1.00 0.00 C ATOM 905 O CYS A 58 1.656 -7.631 -2.203 1.00 0.00 O ATOM 906 CB CYS A 58 4.347 -7.021 -0.677 1.00 0.00 C ATOM 907 SG CYS A 58 6.180 -7.133 -0.625 1.00 0.00 S ATOM 0 H CYS A 58 3.953 -8.047 -3.166 1.00 0.00 H new ATOM 0 HA CYS A 58 3.885 -9.078 -0.364 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.062 -6.226 -1.366 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.984 -6.733 0.310 1.00 0.00 H new ATOM 912 N ARG A 59 1.433 -8.381 -0.099 1.00 0.00 N ATOM 913 CA ARG A 59 -0.010 -8.312 -0.184 1.00 0.00 C ATOM 914 C ARG A 59 -0.618 -7.345 0.850 1.00 0.00 C ATOM 915 O ARG A 59 -0.572 -7.569 2.051 1.00 0.00 O ATOM 916 CB ARG A 59 -0.562 -9.717 -0.046 1.00 0.00 C ATOM 917 CG ARG A 59 -0.094 -10.604 -1.193 1.00 0.00 C ATOM 918 CD ARG A 59 -0.532 -12.037 -1.037 1.00 0.00 C ATOM 919 NE ARG A 59 -1.983 -12.203 -1.126 1.00 0.00 N ATOM 920 CZ ARG A 59 -2.614 -13.361 -0.925 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.935 -14.440 -0.535 1.00 0.00 N ATOM 922 NH2 ARG A 59 -3.927 -13.441 -1.115 1.00 0.00 N ATOM 0 H ARG A 59 1.809 -8.660 0.807 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.292 -7.902 -1.154 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.242 -10.146 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.651 -9.683 -0.029 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.482 -10.210 -2.133 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.994 -10.566 -1.256 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.054 -12.643 -1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.187 -12.414 -0.074 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.546 -11.384 -1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.927 -14.383 -0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.423 -15.323 -0.383 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.450 -12.618 -1.414 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.412 -14.325 -0.962 1.00 0.00 H new ATOM 936 N ARG A 60 -1.158 -6.293 0.303 1.00 0.00 N ATOM 937 CA ARG A 60 -1.860 -5.211 0.944 1.00 0.00 C ATOM 938 C ARG A 60 -3.276 -5.655 1.379 1.00 0.00 C ATOM 939 O ARG A 60 -3.931 -6.410 0.657 1.00 0.00 O ATOM 940 CB ARG A 60 -1.982 -4.215 -0.156 1.00 0.00 C ATOM 941 CG ARG A 60 -2.782 -3.006 0.085 1.00 0.00 C ATOM 942 CD ARG A 60 -2.757 -2.167 -1.189 1.00 0.00 C ATOM 943 NE ARG A 60 -1.443 -1.608 -1.502 1.00 0.00 N ATOM 944 CZ ARG A 60 -1.131 -1.099 -2.705 1.00 0.00 C ATOM 945 NH1 ARG A 60 -1.878 -1.413 -3.769 1.00 0.00 N ATOM 946 NH2 ARG A 60 -0.039 -0.354 -2.861 1.00 0.00 N ATOM 0 H ARG A 60 -1.114 -6.156 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.355 -4.845 1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.976 -3.899 -0.431 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.404 -4.726 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.806 -3.272 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.375 -2.440 0.923 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.088 -2.783 -2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.474 -1.352 -1.090 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.730 -1.604 -0.773 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.679 -2.036 -3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.647 -1.030 -4.686 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.568 -0.166 -2.063 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.191 0.029 -3.778 1.00 0.00 H new ATOM 960 N LYS A 61 -3.760 -5.195 2.545 1.00 0.00 N ATOM 961 CA LYS A 61 -5.128 -5.525 2.928 1.00 0.00 C ATOM 962 C LYS A 61 -6.202 -4.518 2.607 1.00 0.00 C ATOM 963 O LYS A 61 -5.966 -3.320 2.471 1.00 0.00 O ATOM 964 CB LYS A 61 -5.373 -6.094 4.302 1.00 0.00 C ATOM 965 CG LYS A 61 -4.860 -7.480 4.527 1.00 0.00 C ATOM 966 CD LYS A 61 -5.271 -7.930 5.896 1.00 0.00 C ATOM 967 CE LYS A 61 -6.791 -8.229 5.827 1.00 0.00 C ATOM 968 NZ LYS A 61 -7.358 -8.804 7.059 1.00 0.00 N ATOM 0 H LYS A 61 -3.244 -4.618 3.209 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.229 -6.355 2.228 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.915 -5.432 5.037 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.446 -6.087 4.493 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.258 -8.157 3.772 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.774 -7.501 4.433 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.715 -8.818 6.195 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.061 -7.158 6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.320 -7.304 5.596 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.976 -8.917 5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.376 -8.973 6.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.883 -9.704 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.216 -8.142 7.848 1.00 0.00 H new ATOM 982 N SER A 62 -7.403 -5.085 2.427 1.00 0.00 N ATOM 983 CA SER A 62 -8.622 -4.368 2.095 1.00 0.00 C ATOM 984 C SER A 62 -9.116 -3.513 3.275 1.00 0.00 C ATOM 985 O SER A 62 -9.159 -3.982 4.410 1.00 0.00 O ATOM 986 CB SER A 62 -9.690 -5.401 1.723 1.00 0.00 C ATOM 987 OG SER A 62 -10.921 -4.785 1.368 1.00 0.00 O ATOM 0 H SER A 62 -7.547 -6.091 2.514 1.00 0.00 H new ATOM 0 HA SER A 62 -8.424 -3.692 1.264 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.334 -6.008 0.890 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.851 -6.076 2.564 1.00 0.00 H new ATOM 0 HG SER A 62 -11.577 -5.475 1.135 1.00 0.00 H new ATOM 993 N CYS A 63 -9.604 -2.322 2.950 1.00 0.00 N ATOM 994 CA CYS A 63 -10.053 -1.315 3.920 1.00 0.00 C ATOM 995 C CYS A 63 -11.576 -1.362 4.084 1.00 0.00 C ATOM 996 O CYS A 63 -12.287 -1.845 3.211 1.00 0.00 O ATOM 997 CB CYS A 63 -9.564 0.051 3.458 1.00 0.00 C ATOM 998 SG CYS A 63 -7.740 0.255 3.547 1.00 0.00 S ATOM 0 H CYS A 63 -9.703 -2.016 1.982 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.632 -1.522 4.904 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.889 0.214 2.430 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.037 0.821 4.068 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.064 -0.898 5.227 1.00 0.00 N ATOM 1004 CA ARG A 64 -13.475 -1.042 5.571 1.00 0.00 C ATOM 1005 C ARG A 64 -14.087 0.249 6.134 1.00 0.00 C ATOM 1006 O ARG A 64 -13.516 0.878 6.978 1.00 0.00 O ATOM 1007 CB ARG A 64 -13.517 -2.077 6.660 1.00 0.00 C ATOM 1008 CG ARG A 64 -12.759 -1.604 7.912 1.00 0.00 C ATOM 1009 CD ARG A 64 -12.794 -2.611 8.978 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.108 -2.173 10.206 1.00 0.00 N ATOM 1011 CZ ARG A 64 -10.816 -2.395 10.475 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -10.044 -3.009 9.587 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -10.295 -1.999 11.643 1.00 0.00 N ATOM 0 H ARG A 64 -11.505 -0.419 5.932 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.040 -1.304 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -14.553 -2.292 6.920 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.079 -3.007 6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -11.723 -1.386 7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.198 -0.675 8.274 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -13.832 -2.848 9.213 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.331 -3.530 8.618 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.656 -1.665 10.900 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.435 -3.314 8.696 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.060 -3.176 9.796 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.883 -1.527 12.330 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.310 -2.169 11.846 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.280 0.593 5.731 1.00 0.00 N ATOM 1028 CA ASN A 65 -15.920 1.746 6.349 1.00 0.00 C ATOM 1029 C ASN A 65 -17.448 1.561 6.522 1.00 0.00 C ATOM 1030 O ASN A 65 -18.231 2.454 6.207 1.00 0.00 O ATOM 1031 CB ASN A 65 -15.547 3.070 5.623 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.304 3.322 4.343 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -16.652 2.280 3.658 1.00 0.00 O flip ATOM 1034 ND2 ASN A 65 -16.550 4.466 3.965 1.00 0.00 N flip ATOM 0 H ASN A 65 -15.820 0.120 5.007 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.521 1.824 7.360 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.723 3.903 6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.480 3.059 5.402 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.260 5.264 4.531 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.044 4.617 3.085 1.00 0.00 H new ATOM 1041 N PRO A 66 -17.889 0.380 7.085 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.309 0.120 7.366 1.00 0.00 C ATOM 1043 C PRO A 66 -19.951 1.121 8.379 1.00 0.00 C ATOM 1044 O PRO A 66 -21.177 1.161 8.495 1.00 0.00 O ATOM 1045 CB PRO A 66 -19.324 -1.310 7.933 1.00 0.00 C ATOM 1046 CG PRO A 66 -17.932 -1.561 8.392 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.040 -0.764 7.491 1.00 0.00 C ATOM 0 HA PRO A 66 -19.905 0.243 6.462 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.033 -1.400 8.756 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -19.625 -2.032 7.174 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.805 -1.258 9.431 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.691 -2.623 8.338 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.140 -0.432 8.009 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.715 -1.348 6.630 1.00 0.00 H new ATOM 1055 N PRO A 67 -19.133 1.905 9.189 1.00 0.00 N ATOM 1056 CA PRO A 67 -19.669 2.954 10.042 1.00 0.00 C ATOM 1057 C PRO A 67 -20.566 3.888 9.252 1.00 0.00 C ATOM 1058 O PRO A 67 -21.657 4.255 9.710 1.00 0.00 O ATOM 1059 CB PRO A 67 -18.405 3.822 10.273 1.00 0.00 C ATOM 1060 CG PRO A 67 -17.220 2.956 9.964 1.00 0.00 C ATOM 1061 CD PRO A 67 -17.745 1.631 9.583 1.00 0.00 C ATOM 0 HA PRO A 67 -20.201 2.546 10.902 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -18.418 4.702 9.630 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -18.365 4.179 11.302 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.629 3.385 9.154 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -16.563 2.877 10.830 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.175 1.195 8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -17.696 0.927 10.414 1.00 0.00 H new ATOM 1069 N ASP A 68 -20.114 4.213 8.024 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.763 5.197 7.150 1.00 0.00 C ATOM 1071 C ASP A 68 -20.890 6.577 7.833 1.00 0.00 C ATOM 1072 O ASP A 68 -20.903 6.701 9.058 1.00 0.00 O ATOM 1073 CB ASP A 68 -22.149 4.729 6.685 1.00 0.00 C ATOM 1074 CG ASP A 68 -22.104 3.715 5.554 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -21.905 2.513 5.822 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -22.317 4.113 4.396 1.00 0.00 O ATOM 0 H ASP A 68 -19.281 3.793 7.612 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.118 5.295 6.277 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -22.678 4.292 7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.726 5.596 6.361 1.00 0.00 H new ATOM 1081 N PRO A 69 -20.935 7.641 7.035 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.204 8.988 7.534 1.00 0.00 C ATOM 1083 C PRO A 69 -22.637 9.095 8.054 1.00 0.00 C ATOM 1084 O PRO A 69 -23.511 8.361 7.605 1.00 0.00 O ATOM 1085 CB PRO A 69 -20.952 9.863 6.311 1.00 0.00 C ATOM 1086 CG PRO A 69 -21.292 8.984 5.177 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.766 7.632 5.574 1.00 0.00 C ATOM 0 HA PRO A 69 -20.584 9.281 8.381 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.574 10.758 6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -19.915 10.196 6.263 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -22.368 8.956 5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.831 9.333 4.253 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.328 6.824 5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.722 7.502 5.287 1.00 0.00 H new ATOM 1095 N VAL A 70 -22.882 10.003 9.001 1.00 0.00 N ATOM 1096 CA VAL A 70 -24.190 10.071 9.644 1.00 0.00 C ATOM 1097 C VAL A 70 -25.292 10.395 8.627 1.00 0.00 C ATOM 1098 O VAL A 70 -26.336 9.749 8.618 1.00 0.00 O ATOM 1099 CB VAL A 70 -24.184 11.151 10.766 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -25.577 11.386 11.342 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -23.200 10.772 11.860 1.00 0.00 C ATOM 0 H VAL A 70 -22.204 10.689 9.333 1.00 0.00 H new ATOM 0 HA VAL A 70 -24.397 9.094 10.080 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.863 12.091 10.317 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -25.525 12.147 12.121 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -26.246 11.723 10.550 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -25.956 10.457 11.767 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -23.207 11.537 12.637 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -23.487 9.813 12.292 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.198 10.694 11.437 1.00 0.00 H new ATOM 1111 N ASN A 71 -25.055 11.390 7.783 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.979 11.687 6.690 1.00 0.00 C ATOM 1113 C ASN A 71 -26.021 10.550 5.681 1.00 0.00 C ATOM 1114 O ASN A 71 -27.082 10.183 5.177 1.00 0.00 O ATOM 1115 CB ASN A 71 -25.697 13.010 5.999 1.00 0.00 C ATOM 1116 CG ASN A 71 -26.665 13.255 4.841 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -26.393 12.897 3.692 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -27.813 13.851 5.146 1.00 0.00 N ATOM 0 H ASN A 71 -24.240 12.001 7.830 1.00 0.00 H new ATOM 0 HA ASN A 71 -26.962 11.786 7.151 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -25.778 13.823 6.720 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -24.673 13.016 5.626 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -28.505 14.027 4.418 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -28.002 14.133 6.108 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.844 9.979 5.408 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.725 8.994 4.355 1.00 0.00 C ATOM 1127 C GLY A 72 -23.897 9.503 3.176 1.00 0.00 C ATOM 1128 O GLY A 72 -23.792 8.828 2.151 1.00 0.00 O ATOM 0 H GLY A 72 -23.975 10.186 5.901 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.265 8.091 4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.720 8.717 4.005 1.00 0.00 H new ATOM 1132 N MET A 73 -23.304 10.695 3.317 1.00 0.00 N ATOM 1133 CA MET A 73 -22.498 11.276 2.227 1.00 0.00 C ATOM 1134 C MET A 73 -21.011 10.884 2.380 1.00 0.00 C ATOM 1135 O MET A 73 -20.262 11.531 3.108 1.00 0.00 O ATOM 1136 CB MET A 73 -22.559 12.817 2.256 1.00 0.00 C ATOM 1137 CG MET A 73 -23.903 13.450 1.946 1.00 0.00 C ATOM 1138 SD MET A 73 -23.817 15.260 2.033 1.00 0.00 S ATOM 1139 CE MET A 73 -25.542 15.696 1.943 1.00 0.00 C ATOM 0 H MET A 73 -23.363 11.270 4.157 1.00 0.00 H new ATOM 0 HA MET A 73 -22.908 10.893 1.293 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.245 13.152 3.245 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.829 13.200 1.543 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.229 13.147 0.951 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.650 13.085 2.651 1.00 0.00 H new ATOM 0 HE1 MET A 73 -25.645 16.781 1.967 1.00 0.00 H new ATOM 0 HE2 MET A 73 -25.966 15.312 1.015 1.00 0.00 H new ATOM 0 HE3 MET A 73 -26.072 15.262 2.791 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.591 9.840 1.701 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.186 9.455 1.683 1.00 0.00 C ATOM 1151 C VAL A 74 -18.735 9.275 0.236 1.00 0.00 C ATOM 1152 O VAL A 74 -19.438 8.665 -0.570 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.928 8.130 2.474 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -19.881 7.058 2.042 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -17.489 7.648 2.318 1.00 0.00 C ATOM 0 H VAL A 74 -21.201 9.236 1.150 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.616 10.247 2.169 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.095 8.347 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -19.683 6.146 2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -20.904 7.384 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.750 6.862 0.978 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -17.351 6.726 2.882 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.279 7.464 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.807 8.410 2.696 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.593 9.804 -0.093 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.070 9.681 -1.435 1.00 0.00 C ATOM 1167 C HIS A 75 -15.767 8.920 -1.390 1.00 0.00 C ATOM 1168 O HIS A 75 -14.892 9.249 -0.591 1.00 0.00 O ATOM 1169 CB HIS A 75 -16.898 11.079 -2.041 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.182 11.639 -2.597 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -18.556 11.509 -3.917 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -19.196 12.293 -1.984 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -19.740 12.066 -4.093 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -20.149 12.549 -2.931 1.00 0.00 N ATOM 0 H HIS A 75 -16.998 10.329 0.549 1.00 0.00 H new ATOM 0 HA HIS A 75 -17.761 9.126 -2.069 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.513 11.755 -1.278 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.152 11.036 -2.835 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -19.244 12.563 -0.939 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.282 12.118 -5.026 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -21.032 13.034 -2.768 1.00 0.00 H new ATOM 1182 N VAL A 76 -15.617 7.922 -2.255 1.00 0.00 N ATOM 1183 CA VAL A 76 -14.439 7.060 -2.182 1.00 0.00 C ATOM 1184 C VAL A 76 -13.453 7.332 -3.342 1.00 0.00 C ATOM 1185 O VAL A 76 -13.690 6.950 -4.483 1.00 0.00 O ATOM 1186 CB VAL A 76 -14.903 5.561 -2.177 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -15.842 5.236 -3.347 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -13.727 4.639 -2.193 1.00 0.00 C ATOM 0 H VAL A 76 -16.277 7.692 -2.998 1.00 0.00 H new ATOM 0 HA VAL A 76 -13.902 7.280 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.463 5.410 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.134 4.187 -3.298 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.731 5.864 -3.285 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.328 5.426 -4.289 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.075 3.606 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.135 4.819 -3.090 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.112 4.818 -1.311 1.00 0.00 H new ATOM 1198 N ILE A 77 -12.351 8.035 -3.014 1.00 0.00 N ATOM 1199 CA ILE A 77 -11.333 8.397 -4.014 1.00 0.00 C ATOM 1200 C ILE A 77 -10.579 7.187 -4.610 1.00 0.00 C ATOM 1201 O ILE A 77 -10.372 7.094 -5.815 1.00 0.00 O ATOM 1202 CB ILE A 77 -10.243 9.291 -3.350 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -10.789 10.660 -2.942 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -9.043 9.475 -4.274 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -9.806 11.419 -2.107 1.00 0.00 C ATOM 0 H ILE A 77 -12.146 8.361 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.882 8.901 -4.810 1.00 0.00 H new ATOM 0 HB ILE A 77 -9.924 8.769 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.031 11.237 -3.835 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.717 10.531 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.299 10.103 -3.784 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -8.605 8.503 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -9.366 9.951 -5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.229 12.386 -1.836 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.585 10.854 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.887 11.570 -2.674 1.00 0.00 H new ATOM 1217 N LYS A 78 -10.185 6.264 -3.730 1.00 0.00 N ATOM 1218 CA LYS A 78 -9.296 5.144 -4.126 1.00 0.00 C ATOM 1219 C LYS A 78 -10.024 3.818 -4.376 1.00 0.00 C ATOM 1220 O LYS A 78 -9.412 2.842 -4.817 1.00 0.00 O ATOM 1221 CB LYS A 78 -8.184 4.970 -3.087 1.00 0.00 C ATOM 1222 CG LYS A 78 -7.317 6.227 -2.920 1.00 0.00 C ATOM 1223 CD LYS A 78 -6.532 6.581 -4.174 1.00 0.00 C ATOM 1224 CE LYS A 78 -5.720 7.837 -3.925 1.00 0.00 C ATOM 1225 NZ LYS A 78 -4.898 8.243 -5.095 1.00 0.00 N ATOM 0 H LYS A 78 -10.458 6.260 -2.747 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.867 5.419 -5.090 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.629 4.712 -2.126 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.549 4.133 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.955 7.068 -2.649 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.622 6.075 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.873 5.757 -4.448 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.213 6.736 -5.011 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.394 8.652 -3.662 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.066 7.676 -3.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.367 9.107 -4.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.232 7.480 -5.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -5.519 8.427 -5.909 1.00 0.00 H new ATOM 1239 N GLY A 79 -11.310 3.786 -4.094 1.00 0.00 N ATOM 1240 CA GLY A 79 -12.076 2.532 -4.198 1.00 0.00 C ATOM 1241 C GLY A 79 -11.976 1.690 -2.918 1.00 0.00 C ATOM 1242 O GLY A 79 -12.319 0.512 -2.909 1.00 0.00 O ATOM 0 H GLY A 79 -11.854 4.595 -3.794 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.122 2.762 -4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.708 1.951 -5.044 1.00 0.00 H new ATOM 1246 N ILE A 80 -11.493 2.333 -1.849 1.00 0.00 N ATOM 1247 CA ILE A 80 -11.304 1.726 -0.528 1.00 0.00 C ATOM 1248 C ILE A 80 -10.476 0.453 -0.519 1.00 0.00 C ATOM 1249 O ILE A 80 -10.964 -0.671 -0.617 1.00 0.00 O ATOM 1250 CB ILE A 80 -12.583 1.621 0.332 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -13.056 3.022 0.676 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -12.343 0.819 1.599 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.397 3.061 1.323 1.00 0.00 C ATOM 0 H ILE A 80 -11.216 3.314 -1.880 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.686 2.466 -0.019 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.348 1.096 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.329 3.488 1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -13.085 3.620 -0.235 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.266 0.768 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -12.023 -0.189 1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.568 1.302 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -14.667 4.095 1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -15.137 2.625 0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -14.369 2.492 2.252 1.00 0.00 H new ATOM 1265 N GLN A 81 -9.218 0.703 -0.399 1.00 0.00 N ATOM 1266 CA GLN A 81 -8.170 -0.264 -0.295 1.00 0.00 C ATOM 1267 C GLN A 81 -7.056 0.450 0.456 1.00 0.00 C ATOM 1268 O GLN A 81 -7.201 1.628 0.756 1.00 0.00 O ATOM 1269 CB GLN A 81 -7.720 -0.706 -1.693 1.00 0.00 C ATOM 1270 CG GLN A 81 -6.649 -1.779 -1.723 1.00 0.00 C ATOM 1271 CD GLN A 81 -7.116 -3.089 -1.137 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -6.221 -3.759 -0.465 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -8.268 -3.484 -1.280 1.00 0.00 N flip ATOM 0 H GLN A 81 -8.864 1.659 -0.368 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.480 -1.171 0.224 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.591 -1.070 -2.238 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.350 0.167 -2.230 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -6.331 -1.940 -2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.776 -1.430 -1.171 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.935 -2.927 -1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -8.559 -4.369 -0.865 1.00 0.00 H new ATOM 1282 N PHE A 82 -5.991 -0.215 0.782 1.00 0.00 N ATOM 1283 CA PHE A 82 -4.900 0.454 1.477 1.00 0.00 C ATOM 1284 C PHE A 82 -4.345 1.628 0.692 1.00 0.00 C ATOM 1285 O PHE A 82 -4.052 1.526 -0.496 1.00 0.00 O ATOM 1286 CB PHE A 82 -3.818 -0.549 1.773 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.507 0.062 2.212 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.398 0.839 3.354 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.362 -0.165 1.458 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.171 1.386 3.716 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.145 0.370 1.816 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.048 1.150 2.944 1.00 0.00 C ATOM 0 H PHE A 82 -5.841 -1.205 0.588 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.292 0.865 2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.169 -1.226 2.552 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.644 -1.152 0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.269 1.021 3.966 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.428 -0.776 0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.095 1.997 4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.730 0.178 1.213 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.903 1.577 3.227 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.227 2.752 1.402 1.00 0.00 N ATOM 1303 CA GLY A 83 -3.844 4.001 0.812 1.00 0.00 C ATOM 1304 C GLY A 83 -5.062 4.827 0.440 1.00 0.00 C ATOM 1305 O GLY A 83 -4.938 5.960 -0.024 1.00 0.00 O ATOM 0 H GLY A 83 -4.399 2.804 2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.221 4.560 1.510 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.241 3.817 -0.077 1.00 0.00 H new ATOM 1309 N SER A 84 -6.249 4.255 0.652 1.00 0.00 N ATOM 1310 CA SER A 84 -7.488 4.934 0.321 1.00 0.00 C ATOM 1311 C SER A 84 -7.756 6.085 1.243 1.00 0.00 C ATOM 1312 O SER A 84 -7.460 6.034 2.444 1.00 0.00 O ATOM 1313 CB SER A 84 -8.680 3.980 0.345 1.00 0.00 C ATOM 1314 OG SER A 84 -9.892 4.647 -0.008 1.00 0.00 O ATOM 0 H SER A 84 -6.371 3.324 1.051 1.00 0.00 H new ATOM 0 HA SER A 84 -7.363 5.317 -0.692 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.502 3.157 -0.347 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.779 3.545 1.340 1.00 0.00 H new ATOM 0 HG SER A 84 -9.683 5.457 -0.519 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.289 7.128 0.670 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.723 8.270 1.396 1.00 0.00 C ATOM 1322 C GLN A 85 -10.131 8.641 0.909 1.00 0.00 C ATOM 1323 O GLN A 85 -10.342 8.826 -0.288 1.00 0.00 O ATOM 1324 CB GLN A 85 -7.713 9.395 1.208 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.029 10.662 1.950 1.00 0.00 C ATOM 1326 CD GLN A 85 -6.895 11.655 1.878 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -5.758 11.291 1.610 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -7.179 12.900 2.165 1.00 0.00 N ATOM 0 H GLN A 85 -8.433 7.201 -0.337 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.781 8.071 2.466 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -6.733 9.040 1.526 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.639 9.623 0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.931 11.111 1.534 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.241 10.428 2.993 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.139 13.167 2.384 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.440 13.603 2.170 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.092 8.732 1.817 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.486 9.000 1.415 1.00 0.00 C ATOM 1339 C ILE A 86 -13.050 10.166 2.167 1.00 0.00 C ATOM 1340 O ILE A 86 -12.495 10.579 3.187 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.450 7.782 1.537 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.928 7.554 2.990 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -12.795 6.528 0.974 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -12.968 6.796 3.869 1.00 0.00 C ATOM 0 H ILE A 86 -10.948 8.628 2.821 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.423 9.230 0.352 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.338 8.009 0.947 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -14.126 8.524 3.447 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -14.875 7.015 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.481 5.686 1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.553 6.685 -0.077 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.881 6.314 1.529 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.395 6.689 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.787 5.809 3.444 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.026 7.341 3.934 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.141 10.714 1.662 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.694 11.948 2.206 1.00 0.00 C ATOM 1358 C LYS A 87 -15.942 11.668 2.989 1.00 0.00 C ATOM 1359 O LYS A 87 -16.750 10.832 2.613 1.00 0.00 O ATOM 1360 CB LYS A 87 -14.994 12.945 1.060 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.789 13.759 0.570 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.492 12.998 0.760 1.00 0.00 C ATOM 1363 CE LYS A 87 -11.299 13.735 0.210 1.00 0.00 C ATOM 1364 NZ LYS A 87 -10.033 13.005 0.480 1.00 0.00 N ATOM 0 H LYS A 87 -14.664 10.327 0.876 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.959 12.391 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.405 12.391 0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.767 13.636 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.918 14.003 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.741 14.703 1.113 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.339 12.809 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -12.571 12.027 0.272 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.419 13.872 -0.865 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.248 14.729 0.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.251 13.467 -0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -9.838 13.015 1.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.123 12.022 0.154 1.00 0.00 H new ATOM 1378 N TYR A 88 -16.085 12.394 4.067 1.00 0.00 N ATOM 1379 CA TYR A 88 -17.186 12.245 4.974 1.00 0.00 C ATOM 1380 C TYR A 88 -17.977 13.520 5.121 1.00 0.00 C ATOM 1381 O TYR A 88 -17.917 14.174 6.155 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.652 11.806 6.335 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.260 10.346 6.402 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -17.178 9.338 6.089 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.980 9.970 6.771 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.818 8.004 6.155 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.621 8.641 6.843 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.538 7.665 6.536 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.172 6.342 6.621 1.00 0.00 O ATOM 0 H TYR A 88 -15.423 13.120 4.342 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.861 11.491 4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.785 12.416 6.587 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.411 12.003 7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -18.181 9.605 5.792 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.250 10.731 7.006 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.535 7.234 5.910 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.620 8.367 7.141 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.235 6.279 6.902 1.00 0.00 H new ATOM 1399 N SER A 89 -18.686 13.884 4.084 1.00 0.00 N ATOM 1400 CA SER A 89 -19.557 15.037 4.138 1.00 0.00 C ATOM 1401 C SER A 89 -20.898 14.696 4.839 1.00 0.00 C ATOM 1402 O SER A 89 -21.254 13.526 4.978 1.00 0.00 O ATOM 1403 CB SER A 89 -19.759 15.613 2.736 1.00 0.00 C ATOM 1404 OG SER A 89 -20.139 14.610 1.819 1.00 0.00 O ATOM 0 H SER A 89 -18.679 13.399 3.187 1.00 0.00 H new ATOM 0 HA SER A 89 -19.082 15.809 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.523 16.389 2.766 1.00 0.00 H new ATOM 0 HB3 SER A 89 -18.837 16.086 2.399 1.00 0.00 H new ATOM 0 HG SER A 89 -20.262 15.008 0.932 1.00 0.00 H new ATOM 1410 N CYS A 90 -21.602 15.705 5.308 1.00 0.00 N ATOM 1411 CA CYS A 90 -22.886 15.487 6.008 1.00 0.00 C ATOM 1412 C CYS A 90 -24.033 16.288 5.351 1.00 0.00 C ATOM 1413 O CYS A 90 -25.100 15.771 5.060 1.00 0.00 O ATOM 1414 CB CYS A 90 -22.697 16.080 7.423 1.00 0.00 C ATOM 1415 SG CYS A 90 -21.467 15.298 8.477 1.00 0.00 S ATOM 0 H CYS A 90 -21.324 16.683 5.227 1.00 0.00 H new ATOM 0 HA CYS A 90 -23.137 14.426 5.991 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -22.433 17.132 7.317 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -23.657 16.043 7.937 1.00 0.00 H new ATOM 1420 N THR A 91 -23.807 17.560 5.174 1.00 0.00 N ATOM 1421 CA THR A 91 -24.840 18.477 4.740 1.00 0.00 C ATOM 1422 C THR A 91 -24.266 19.560 3.807 1.00 0.00 C ATOM 1423 O THR A 91 -23.071 19.653 3.652 1.00 0.00 O ATOM 1424 CB THR A 91 -25.419 19.099 6.009 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.954 18.067 6.847 1.00 0.00 O ATOM 1426 CG2 THR A 91 -26.472 20.147 5.740 1.00 0.00 C ATOM 0 H THR A 91 -22.899 17.998 5.326 1.00 0.00 H new ATOM 0 HA THR A 91 -25.609 17.958 4.169 1.00 0.00 H new ATOM 0 HB THR A 91 -24.599 19.612 6.512 1.00 0.00 H new ATOM 0 HG1 THR A 91 -26.324 18.466 7.662 1.00 0.00 H new ATOM 0 HG21 THR A 91 -26.839 20.546 6.686 1.00 0.00 H new ATOM 0 HG22 THR A 91 -26.039 20.954 5.149 1.00 0.00 H new ATOM 0 HG23 THR A 91 -27.299 19.699 5.190 1.00 0.00 H new ATOM 1434 N LYS A 92 -25.100 20.260 3.055 1.00 0.00 N ATOM 1435 CA LYS A 92 -24.594 21.454 2.378 1.00 0.00 C ATOM 1436 C LYS A 92 -24.203 22.619 3.279 1.00 0.00 C ATOM 1437 O LYS A 92 -23.080 23.125 3.223 1.00 0.00 O ATOM 1438 CB LYS A 92 -25.626 22.011 1.485 1.00 0.00 C ATOM 1439 CG LYS A 92 -25.104 23.227 0.804 1.00 0.00 C ATOM 1440 CD LYS A 92 -26.065 23.797 -0.136 1.00 0.00 C ATOM 1441 CE LYS A 92 -27.285 24.370 0.584 1.00 0.00 C ATOM 1442 NZ LYS A 92 -28.232 25.001 -0.366 1.00 0.00 N ATOM 0 H LYS A 92 -26.084 20.042 2.899 1.00 0.00 H new ATOM 0 HA LYS A 92 -23.702 21.085 1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -25.919 21.267 0.745 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -26.519 22.260 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -24.845 23.976 1.553 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -24.186 22.976 0.273 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -25.583 24.583 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -26.385 23.029 -0.840 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -27.792 23.575 1.131 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -26.962 25.106 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -29.048 25.379 0.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -27.754 25.775 -0.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -28.559 24.292 -1.053 1.00 0.00 H new ATOM 1456 N GLY A 93 -25.105 22.971 4.174 1.00 0.00 N ATOM 1457 CA GLY A 93 -24.917 24.160 4.956 1.00 0.00 C ATOM 1458 C GLY A 93 -24.488 23.816 6.314 1.00 0.00 C ATOM 1459 O GLY A 93 -25.184 24.087 7.291 1.00 0.00 O ATOM 0 H GLY A 93 -25.962 22.454 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -24.172 24.800 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -25.846 24.728 4.994 1.00 0.00 H new ATOM 1463 N TYR A 94 -23.359 23.202 6.386 1.00 0.00 N ATOM 1464 CA TYR A 94 -22.859 22.693 7.656 1.00 0.00 C ATOM 1465 C TYR A 94 -21.355 22.741 7.616 1.00 0.00 C ATOM 1466 O TYR A 94 -20.766 22.974 6.563 1.00 0.00 O ATOM 1467 CB TYR A 94 -23.247 21.226 7.883 1.00 0.00 C ATOM 1468 CG TYR A 94 -22.241 20.242 7.307 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -21.922 20.238 5.980 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -21.540 19.380 8.147 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -20.945 19.396 5.475 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -20.553 18.549 7.655 1.00 0.00 C ATOM 1473 CZ TYR A 94 -20.268 18.560 6.315 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.298 17.744 5.816 1.00 0.00 O ATOM 0 H TYR A 94 -22.748 23.030 5.588 1.00 0.00 H new ATOM 0 HA TYR A 94 -23.286 23.303 8.452 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -23.349 21.046 8.953 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -24.223 21.042 7.434 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -22.442 20.906 5.309 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -21.772 19.361 9.202 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -20.719 19.401 4.419 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -20.010 17.895 8.321 1.00 0.00 H new ATOM 0 HH TYR A 94 -18.435 18.207 5.843 1.00 0.00 H new ATOM 1484 N ARG A 95 -20.736 22.546 8.736 1.00 0.00 N ATOM 1485 CA ARG A 95 -19.315 22.439 8.768 1.00 0.00 C ATOM 1486 C ARG A 95 -18.951 21.158 9.502 1.00 0.00 C ATOM 1487 O ARG A 95 -19.613 20.791 10.467 1.00 0.00 O ATOM 1488 CB ARG A 95 -18.683 23.667 9.451 1.00 0.00 C ATOM 1489 CG ARG A 95 -19.044 23.846 10.917 1.00 0.00 C ATOM 1490 CD ARG A 95 -18.368 25.072 11.523 1.00 0.00 C ATOM 1491 NE ARG A 95 -18.720 25.243 12.934 1.00 0.00 N ATOM 1492 CZ ARG A 95 -17.855 25.167 13.958 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -16.545 25.028 13.731 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -18.300 25.257 15.202 1.00 0.00 N ATOM 0 H ARG A 95 -21.195 22.458 9.643 1.00 0.00 H new ATOM 0 HA ARG A 95 -18.924 22.406 7.751 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -17.599 23.593 9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -18.985 24.562 8.907 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -20.125 23.942 11.016 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -18.750 22.957 11.475 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -17.287 24.976 11.427 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -18.660 25.962 10.965 1.00 0.00 H new ATOM 0 HE ARG A 95 -19.697 25.434 13.156 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -16.196 24.979 12.774 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.895 24.971 14.515 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -19.296 25.384 15.379 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -17.646 25.200 15.983 1.00 0.00 H new ATOM 1508 N LEU A 96 -17.935 20.456 9.046 1.00 0.00 N ATOM 1509 CA LEU A 96 -17.536 19.257 9.740 1.00 0.00 C ATOM 1510 C LEU A 96 -16.414 19.571 10.683 1.00 0.00 C ATOM 1511 O LEU A 96 -15.365 20.068 10.302 1.00 0.00 O ATOM 1512 CB LEU A 96 -17.113 18.174 8.737 1.00 0.00 C ATOM 1513 CG LEU A 96 -16.781 16.821 9.340 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -17.941 16.320 10.102 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -16.439 15.841 8.260 1.00 0.00 C ATOM 0 H LEU A 96 -17.385 20.689 8.219 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.382 18.877 10.312 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.915 18.042 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.242 18.532 8.188 1.00 0.00 H new ATOM 0 HG LEU A 96 -15.924 16.934 10.004 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.700 15.349 10.534 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.183 17.022 10.900 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.798 16.219 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.203 14.875 8.707 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -17.288 15.731 7.586 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -15.576 16.203 7.701 1.00 0.00 H new ATOM 1527 N ILE A 97 -16.695 19.307 11.939 1.00 0.00 N ATOM 1528 CA ILE A 97 -15.805 19.621 13.029 1.00 0.00 C ATOM 1529 C ILE A 97 -14.504 18.806 12.988 1.00 0.00 C ATOM 1530 O ILE A 97 -13.416 19.339 13.174 1.00 0.00 O ATOM 1531 CB ILE A 97 -16.501 19.378 14.375 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -17.837 20.143 14.418 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -15.593 19.823 15.513 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -17.721 21.634 14.243 1.00 0.00 C ATOM 0 H ILE A 97 -17.563 18.861 12.235 1.00 0.00 H new ATOM 0 HA ILE A 97 -15.545 20.674 12.919 1.00 0.00 H new ATOM 0 HB ILE A 97 -16.706 18.314 14.489 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -18.489 19.750 13.638 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -18.324 19.941 15.372 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -16.092 19.648 16.466 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -14.664 19.255 15.480 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -15.372 20.885 15.408 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -18.713 22.084 14.288 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -17.099 22.046 15.038 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -17.267 21.853 13.277 1.00 0.00 H new ATOM 1546 N GLY A 98 -14.645 17.504 12.725 1.00 0.00 N ATOM 1547 CA GLY A 98 -13.504 16.599 12.756 1.00 0.00 C ATOM 1548 C GLY A 98 -12.899 16.344 11.400 1.00 0.00 C ATOM 1549 O GLY A 98 -12.766 17.262 10.586 1.00 0.00 O ATOM 0 H GLY A 98 -15.533 17.060 12.490 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.740 17.014 13.413 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.816 15.649 13.190 1.00 0.00 H new ATOM 1553 N SER A 99 -12.536 15.094 11.137 1.00 0.00 N ATOM 1554 CA SER A 99 -11.922 14.765 9.881 1.00 0.00 C ATOM 1555 C SER A 99 -12.995 14.529 8.813 1.00 0.00 C ATOM 1556 O SER A 99 -13.891 13.712 8.990 1.00 0.00 O ATOM 1557 CB SER A 99 -11.060 13.500 10.079 1.00 0.00 C ATOM 1558 OG SER A 99 -10.271 13.609 11.261 1.00 0.00 O ATOM 0 H SER A 99 -12.659 14.308 11.776 1.00 0.00 H new ATOM 0 HA SER A 99 -11.293 15.588 9.543 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.703 12.622 10.144 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.412 13.357 9.215 1.00 0.00 H new ATOM 0 HG SER A 99 -9.733 12.798 11.371 1.00 0.00 H new ATOM 1564 N SER A 100 -12.880 15.267 7.719 1.00 0.00 N ATOM 1565 CA SER A 100 -13.748 15.136 6.575 1.00 0.00 C ATOM 1566 C SER A 100 -13.218 14.072 5.649 1.00 0.00 C ATOM 1567 O SER A 100 -13.854 13.714 4.666 1.00 0.00 O ATOM 1568 CB SER A 100 -13.836 16.487 5.841 1.00 0.00 C ATOM 1569 OG SER A 100 -14.073 17.559 6.752 1.00 0.00 O ATOM 0 H SER A 100 -12.165 15.985 7.607 1.00 0.00 H new ATOM 0 HA SER A 100 -14.745 14.845 6.906 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.909 16.668 5.297 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.637 16.451 5.103 1.00 0.00 H new ATOM 0 HG SER A 100 -14.122 18.404 6.258 1.00 0.00 H new ATOM 1575 N SER A 101 -12.031 13.601 5.943 1.00 0.00 N ATOM 1576 CA SER A 101 -11.433 12.567 5.163 1.00 0.00 C ATOM 1577 C SER A 101 -10.683 11.623 6.095 1.00 0.00 C ATOM 1578 O SER A 101 -10.083 12.064 7.073 1.00 0.00 O ATOM 1579 CB SER A 101 -10.486 13.176 4.113 1.00 0.00 C ATOM 1580 OG SER A 101 -10.065 12.213 3.175 1.00 0.00 O ATOM 0 H SER A 101 -11.463 13.926 6.725 1.00 0.00 H new ATOM 0 HA SER A 101 -12.202 12.007 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.991 13.992 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.616 13.604 4.611 1.00 0.00 H new ATOM 0 HG SER A 101 -10.776 11.552 3.043 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.713 10.343 5.790 1.00 0.00 N ATOM 1587 CA ALA A 102 -9.985 9.353 6.567 1.00 0.00 C ATOM 1588 C ALA A 102 -8.973 8.684 5.666 1.00 0.00 C ATOM 1589 O ALA A 102 -9.219 8.548 4.465 1.00 0.00 O ATOM 1590 CB ALA A 102 -10.939 8.311 7.138 1.00 0.00 C ATOM 0 H ALA A 102 -11.237 9.958 5.004 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.481 9.844 7.400 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.375 7.579 7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.668 8.800 7.784 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.458 7.807 6.323 1.00 0.00 H new ATOM 1596 N THR A 103 -7.841 8.298 6.212 1.00 0.00 N ATOM 1597 CA THR A 103 -6.817 7.662 5.421 1.00 0.00 C ATOM 1598 C THR A 103 -6.546 6.253 5.975 1.00 0.00 C ATOM 1599 O THR A 103 -6.322 6.083 7.173 1.00 0.00 O ATOM 1600 CB THR A 103 -5.511 8.489 5.455 1.00 0.00 C ATOM 1601 OG1 THR A 103 -5.782 9.822 4.988 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.478 7.870 4.529 1.00 0.00 C ATOM 0 H THR A 103 -7.609 8.414 7.198 1.00 0.00 H new ATOM 0 HA THR A 103 -7.161 7.596 4.389 1.00 0.00 H new ATOM 0 HB THR A 103 -5.133 8.506 6.477 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.957 10.350 5.010 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.562 8.460 4.560 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.265 6.851 4.851 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.865 7.855 3.510 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.601 5.254 5.100 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.382 3.857 5.502 1.00 0.00 C ATOM 1612 C CYS A 104 -4.934 3.433 5.355 1.00 0.00 C ATOM 1613 O CYS A 104 -4.324 3.585 4.290 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.348 2.950 4.740 1.00 0.00 C ATOM 1615 SG CYS A 104 -7.456 1.215 5.305 1.00 0.00 S ATOM 0 H CYS A 104 -6.795 5.379 4.106 1.00 0.00 H new ATOM 0 HA CYS A 104 -6.595 3.762 6.567 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.344 3.389 4.795 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.058 2.949 3.689 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.400 2.885 6.435 1.00 0.00 N ATOM 1621 CA ILE A 105 -2.999 2.491 6.533 1.00 0.00 C ATOM 1622 C ILE A 105 -2.843 1.032 7.019 1.00 0.00 C ATOM 1623 O ILE A 105 -3.780 0.471 7.592 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.192 3.472 7.434 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -2.757 3.512 8.877 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.163 4.874 6.808 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -3.950 4.454 9.064 1.00 0.00 C ATOM 0 H ILE A 105 -4.935 2.697 7.283 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.583 2.544 5.527 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.167 3.106 7.500 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.057 2.504 9.165 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.961 3.814 9.558 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.595 5.547 7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.691 4.825 5.827 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.182 5.246 6.702 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.281 4.420 10.102 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.653 5.472 8.811 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.766 4.142 8.412 1.00 0.00 H new ATOM 1639 N ILE A 106 -1.645 0.421 6.821 1.00 0.00 N ATOM 1640 CA ILE A 106 -1.454 -0.989 7.227 1.00 0.00 C ATOM 1641 C ILE A 106 -0.853 -0.982 8.632 1.00 0.00 C ATOM 1642 O ILE A 106 0.228 -0.436 8.848 1.00 0.00 O ATOM 1643 CB ILE A 106 -0.368 -1.746 6.342 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.663 -1.731 4.816 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -0.188 -3.180 6.833 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -1.946 -2.356 4.420 1.00 0.00 C ATOM 0 H ILE A 106 -0.829 0.865 6.399 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.422 -1.482 7.136 1.00 0.00 H new ATOM 0 HB ILE A 106 0.559 -1.187 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.658 -0.697 4.470 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.148 -2.244 4.299 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.557 -3.684 6.218 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.144 -3.170 7.871 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.137 -3.711 6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.061 -2.296 3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.952 -3.401 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.771 -1.831 4.902 1.00 0.00 H new ATOM 1658 N SER A 107 -1.565 -1.580 9.583 1.00 0.00 N ATOM 1659 CA SER A 107 -1.063 -1.694 10.943 1.00 0.00 C ATOM 1660 C SER A 107 -0.244 -2.960 11.113 1.00 0.00 C ATOM 1661 O SER A 107 0.487 -3.121 12.082 1.00 0.00 O ATOM 1662 CB SER A 107 -2.214 -1.661 11.939 1.00 0.00 C ATOM 1663 OG SER A 107 -2.883 -0.416 11.881 1.00 0.00 O ATOM 0 H SER A 107 -2.487 -1.991 9.435 1.00 0.00 H new ATOM 0 HA SER A 107 -0.412 -0.842 11.139 1.00 0.00 H new ATOM 0 HB2 SER A 107 -2.914 -2.467 11.721 1.00 0.00 H new ATOM 0 HB3 SER A 107 -1.836 -1.831 12.947 1.00 0.00 H new ATOM 0 HG SER A 107 -3.514 -0.348 12.628 1.00 0.00 H new ATOM 1669 N GLY A 108 -0.364 -3.838 10.150 1.00 0.00 N ATOM 1670 CA GLY A 108 0.321 -5.088 10.195 1.00 0.00 C ATOM 1671 C GLY A 108 -0.624 -6.230 9.996 1.00 0.00 C ATOM 1672 O GLY A 108 -0.654 -6.833 8.933 1.00 0.00 O ATOM 0 H GLY A 108 -0.939 -3.700 9.319 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.091 -5.111 9.424 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.827 -5.194 11.155 1.00 0.00 H new ATOM 1676 N ASP A 109 -1.386 -6.537 11.015 1.00 0.00 N ATOM 1677 CA ASP A 109 -2.378 -7.592 10.938 1.00 0.00 C ATOM 1678 C ASP A 109 -3.508 -7.220 9.964 1.00 0.00 C ATOM 1679 O ASP A 109 -4.042 -8.071 9.242 1.00 0.00 O ATOM 1680 CB ASP A 109 -2.984 -7.876 12.327 1.00 0.00 C ATOM 1681 CG ASP A 109 -3.644 -6.655 12.957 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -3.007 -5.582 13.002 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -4.814 -6.770 13.385 1.00 0.00 O ATOM 0 H ASP A 109 -1.341 -6.068 11.920 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.873 -8.486 10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -3.721 -8.674 12.238 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -2.200 -8.240 12.991 1.00 0.00 H new ATOM 1688 N THR A 110 -3.866 -5.940 9.961 1.00 0.00 N ATOM 1689 CA THR A 110 -5.009 -5.452 9.240 1.00 0.00 C ATOM 1690 C THR A 110 -4.793 -3.993 8.819 1.00 0.00 C ATOM 1691 O THR A 110 -3.754 -3.394 9.131 1.00 0.00 O ATOM 1692 CB THR A 110 -6.320 -5.606 10.072 1.00 0.00 C ATOM 1693 OG1 THR A 110 -7.478 -5.312 9.263 1.00 0.00 O ATOM 1694 CG2 THR A 110 -6.304 -4.701 11.295 1.00 0.00 C ATOM 0 H THR A 110 -3.358 -5.215 10.468 1.00 0.00 H new ATOM 0 HA THR A 110 -5.123 -6.058 8.341 1.00 0.00 H new ATOM 0 HB THR A 110 -6.376 -6.642 10.407 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.289 -5.416 9.803 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.230 -4.830 11.855 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.457 -4.962 11.929 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.214 -3.662 10.978 1.00 0.00 H new ATOM 1702 N VAL A 111 -5.762 -3.436 8.123 1.00 0.00 N ATOM 1703 CA VAL A 111 -5.710 -2.056 7.699 1.00 0.00 C ATOM 1704 C VAL A 111 -6.756 -1.263 8.415 1.00 0.00 C ATOM 1705 O VAL A 111 -7.899 -1.697 8.541 1.00 0.00 O ATOM 1706 CB VAL A 111 -5.937 -1.877 6.203 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -4.815 -2.463 5.453 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.231 -2.482 5.774 1.00 0.00 C ATOM 0 H VAL A 111 -6.608 -3.929 7.836 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.705 -1.707 7.937 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.988 -0.809 5.989 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.984 -2.332 4.384 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.888 -1.966 5.738 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.741 -3.526 5.681 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -7.363 -2.337 4.702 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -7.226 -3.549 5.998 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.051 -2.003 6.308 1.00 0.00 H new ATOM 1718 N ILE A 112 -6.369 -0.133 8.941 1.00 0.00 N ATOM 1719 CA ILE A 112 -7.310 0.674 9.682 1.00 0.00 C ATOM 1720 C ILE A 112 -7.358 2.085 9.132 1.00 0.00 C ATOM 1721 O ILE A 112 -6.428 2.527 8.455 1.00 0.00 O ATOM 1722 CB ILE A 112 -6.968 0.745 11.204 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -5.594 1.404 11.433 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -7.006 -0.649 11.823 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -5.278 1.674 12.897 1.00 0.00 C ATOM 0 H ILE A 112 -5.425 0.249 8.875 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.280 0.191 9.568 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.721 1.363 11.693 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.819 0.761 11.017 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -5.557 2.345 10.884 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -6.765 -0.583 12.884 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.003 -1.073 11.703 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.277 -1.288 11.325 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.295 2.138 12.977 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.031 2.343 13.314 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.282 0.734 13.449 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.439 2.774 9.425 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.616 4.160 9.036 1.00 0.00 C ATOM 1739 C TRP A 113 -8.170 5.050 10.173 1.00 0.00 C ATOM 1740 O TRP A 113 -8.369 4.718 11.343 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.086 4.428 8.737 1.00 0.00 C ATOM 1742 CG TRP A 113 -10.580 3.716 7.526 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.287 2.550 7.485 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.433 4.143 6.177 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -11.555 2.224 6.195 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.058 3.187 5.369 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -9.831 5.242 5.575 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.097 3.293 3.995 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -9.876 5.344 4.203 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -10.506 4.373 3.427 1.00 0.00 C ATOM 0 H TRP A 113 -9.227 2.387 9.944 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.024 4.366 8.144 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.685 4.127 9.596 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.233 5.500 8.605 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.588 1.974 8.348 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.052 1.387 5.891 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.340 5.998 6.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.582 2.541 3.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.415 6.192 3.719 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.524 4.483 2.353 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.568 6.174 9.842 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.016 7.056 10.863 1.00 0.00 C ATOM 1763 C ASP A 114 -8.011 8.126 11.374 1.00 0.00 C ATOM 1764 O ASP A 114 -7.655 8.924 12.247 1.00 0.00 O ATOM 1765 CB ASP A 114 -5.738 7.745 10.364 1.00 0.00 C ATOM 1766 CG ASP A 114 -5.990 8.763 9.264 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.122 8.816 8.730 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -5.057 9.530 8.947 1.00 0.00 O ATOM 0 H ASP A 114 -7.446 6.501 8.884 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.786 6.406 11.707 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.251 8.241 11.203 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.046 6.988 9.996 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.243 8.153 10.844 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.231 9.150 11.305 1.00 0.00 C ATOM 1775 C GLN A 115 -10.615 8.917 12.774 1.00 0.00 C ATOM 1776 O GLN A 115 -10.618 7.777 13.264 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.506 9.142 10.472 1.00 0.00 C ATOM 1778 CG GLN A 115 -12.567 8.198 11.008 1.00 0.00 C ATOM 1779 CD GLN A 115 -13.859 8.256 10.230 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -14.237 9.299 9.722 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -14.548 7.135 10.136 1.00 0.00 N ATOM 0 H GLN A 115 -9.576 7.519 10.118 1.00 0.00 H new ATOM 0 HA GLN A 115 -9.744 10.118 11.192 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.914 10.152 10.435 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.261 8.859 9.448 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -12.182 7.178 10.986 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.767 8.441 12.052 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -14.198 6.283 10.575 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.430 7.120 9.625 1.00 0.00 H new ATOM 1790 N GLU A 116 -10.897 10.012 13.470 1.00 0.00 N ATOM 1791 CA GLU A 116 -11.274 9.961 14.883 1.00 0.00 C ATOM 1792 C GLU A 116 -12.648 9.277 15.114 1.00 0.00 C ATOM 1793 O GLU A 116 -12.795 8.459 16.037 1.00 0.00 O ATOM 1794 CB GLU A 116 -11.328 11.384 15.436 1.00 0.00 C ATOM 1795 CG GLU A 116 -9.971 12.050 15.494 1.00 0.00 C ATOM 1796 CD GLU A 116 -10.026 13.488 15.972 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -11.129 13.962 16.324 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -8.970 14.152 15.981 1.00 0.00 O ATOM 0 H GLU A 116 -10.872 10.953 13.078 1.00 0.00 H new ATOM 0 HA GLU A 116 -10.522 9.364 15.399 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -11.994 11.984 14.815 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.759 11.362 16.437 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.322 11.479 16.158 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.518 12.021 14.503 1.00 0.00 H new ATOM 1805 N THR A 117 -13.627 9.594 14.248 1.00 0.00 N ATOM 1806 CA THR A 117 -15.024 9.121 14.394 1.00 0.00 C ATOM 1807 C THR A 117 -15.918 9.986 13.484 1.00 0.00 C ATOM 1808 O THR A 117 -15.481 11.048 13.069 1.00 0.00 O ATOM 1809 CB THR A 117 -15.507 9.295 15.881 1.00 0.00 C ATOM 1810 OG1 THR A 117 -16.732 8.590 16.105 1.00 0.00 O ATOM 1811 CG2 THR A 117 -15.701 10.773 16.236 1.00 0.00 C ATOM 0 H THR A 117 -13.478 10.183 13.429 1.00 0.00 H new ATOM 0 HA THR A 117 -15.083 8.067 14.121 1.00 0.00 H new ATOM 0 HB THR A 117 -14.730 8.879 16.522 1.00 0.00 H new ATOM 0 HG1 THR A 117 -17.482 9.219 16.071 1.00 0.00 H new ATOM 0 HG21 THR A 117 -16.035 10.858 17.270 1.00 0.00 H new ATOM 0 HG22 THR A 117 -14.756 11.303 16.115 1.00 0.00 H new ATOM 0 HG23 THR A 117 -16.450 11.211 15.576 1.00 0.00 H new ATOM 1819 N PRO A 118 -17.125 9.517 13.076 1.00 0.00 N ATOM 1820 CA PRO A 118 -18.051 10.365 12.305 1.00 0.00 C ATOM 1821 C PRO A 118 -18.506 11.590 13.128 1.00 0.00 C ATOM 1822 O PRO A 118 -18.730 11.489 14.339 1.00 0.00 O ATOM 1823 CB PRO A 118 -19.245 9.428 12.021 1.00 0.00 C ATOM 1824 CG PRO A 118 -18.717 8.045 12.268 1.00 0.00 C ATOM 1825 CD PRO A 118 -17.673 8.182 13.328 1.00 0.00 C ATOM 0 HA PRO A 118 -17.595 10.768 11.401 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.088 9.652 12.675 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -19.599 9.539 10.996 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.514 7.376 12.591 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.294 7.621 11.357 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -18.099 8.102 14.328 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -16.909 7.409 13.245 1.00 0.00 H new ATOM 1833 N ILE A 119 -18.647 12.733 12.468 1.00 0.00 N ATOM 1834 CA ILE A 119 -19.144 13.972 13.089 1.00 0.00 C ATOM 1835 C ILE A 119 -20.051 14.699 12.111 1.00 0.00 C ATOM 1836 O ILE A 119 -19.869 14.541 10.933 1.00 0.00 O ATOM 1837 CB ILE A 119 -18.012 14.961 13.527 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -16.820 14.252 14.175 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -18.569 16.012 14.478 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -15.722 13.903 13.207 1.00 0.00 C ATOM 0 H ILE A 119 -18.420 12.835 11.479 1.00 0.00 H new ATOM 0 HA ILE A 119 -19.675 13.664 13.990 1.00 0.00 H new ATOM 0 HB ILE A 119 -17.645 15.440 12.619 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -16.412 14.890 14.959 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -17.170 13.339 14.657 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -17.772 16.693 14.775 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -19.358 16.573 13.978 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -18.976 15.523 15.363 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -14.913 13.404 13.740 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -16.114 13.239 12.437 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -15.343 14.814 12.743 1.00 0.00 H new ATOM 1852 N CYS A 120 -21.083 15.394 12.576 1.00 0.00 N ATOM 1853 CA CYS A 120 -21.811 16.299 11.683 1.00 0.00 C ATOM 1854 C CYS A 120 -22.327 17.511 12.494 1.00 0.00 C ATOM 1855 O CYS A 120 -23.208 17.342 13.320 1.00 0.00 O ATOM 1856 CB CYS A 120 -23.002 15.586 10.921 1.00 0.00 C ATOM 1857 SG CYS A 120 -22.471 14.184 9.818 1.00 0.00 S ATOM 0 H CYS A 120 -21.429 15.355 13.535 1.00 0.00 H new ATOM 0 HA CYS A 120 -21.116 16.635 10.913 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -23.713 15.207 11.655 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -23.529 16.327 10.320 1.00 0.00 H new ATOM 1862 N ASP A 121 -21.767 18.743 12.279 1.00 0.00 N ATOM 1863 CA ASP A 121 -22.237 19.915 13.064 1.00 0.00 C ATOM 1864 C ASP A 121 -23.699 20.215 12.748 1.00 0.00 C ATOM 1865 O ASP A 121 -24.534 20.375 13.638 1.00 0.00 O ATOM 1866 CB ASP A 121 -21.375 21.163 12.772 1.00 0.00 C ATOM 1867 CG ASP A 121 -21.828 22.405 13.554 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -22.640 22.264 14.497 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -21.359 23.521 13.237 1.00 0.00 O ATOM 0 H ASP A 121 -21.028 18.939 11.604 1.00 0.00 H new ATOM 0 HA ASP A 121 -22.141 19.667 14.121 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -20.336 20.945 13.018 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -21.411 21.380 11.704 1.00 0.00 H new ATOM 1874 N ARG A 122 -23.979 20.167 11.445 1.00 0.00 N ATOM 1875 CA ARG A 122 -25.279 20.459 10.826 1.00 0.00 C ATOM 1876 C ARG A 122 -26.161 21.374 11.695 1.00 0.00 C ATOM 1877 O ARG A 122 -25.983 22.618 11.608 1.00 0.00 O ATOM 1878 CB ARG A 122 -26.016 19.160 10.472 1.00 0.00 C ATOM 1879 CG ARG A 122 -26.612 18.370 11.638 1.00 0.00 C ATOM 1880 CD ARG A 122 -27.250 17.086 11.121 1.00 0.00 C ATOM 1881 NE ARG A 122 -27.915 16.305 12.174 1.00 0.00 N ATOM 1882 CZ ARG A 122 -27.452 15.177 12.717 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -26.190 14.797 12.521 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -28.246 14.462 13.507 1.00 0.00 N ATOM 0 H ARG A 122 -23.272 19.911 10.756 1.00 0.00 H new ATOM 0 HA ARG A 122 -25.074 21.008 9.907 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -26.821 19.403 9.779 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -25.322 18.509 9.939 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -25.834 18.133 12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -27.357 18.974 12.155 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -27.977 17.335 10.348 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -26.483 16.471 10.651 1.00 0.00 H new ATOM 0 HE ARG A 122 -28.808 16.656 12.520 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -25.567 15.370 11.951 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -25.846 13.933 12.941 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -29.198 14.777 13.693 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -27.903 13.598 13.928 1.00 0.00 H new