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= -0.337 X(o=-0.67,f=-1.1!) USER MOD Set 1.2: A 87 LYS NZ :NH3+ 167:sc= -0.514 (180deg=-0.721) USER MOD Set 1.3: A 101 SER OG : rot -140:sc= 0.181 USER MOD Set 2.1: A 75 HIS : no HD1:sc= 0 X(o=0.0024,f=0.0024) USER MOD Set 2.2: A 89 SER OG : rot 180:sc= 0.0024 USER MOD Set 3.1: A 71 ASN : amide:sc= -6.8! C(o=-8.5!,f=-8.6!) USER MOD Set 3.2: A 73 MET CE :methyl -158:sc= -1.74 (180deg=-2.7!) USER MOD Single : A 1 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.9!) USER MOD Single : A 1 GLN N :NH3+ -156:sc= -0.102 (180deg=-2.49!) USER MOD Single : A 3 ASN : amide:sc= -1.27 X(o=-1.3,f=-1.2) USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.887 USER MOD Single : A 15 GLN :FLIP amide:sc= -5.6! C(o=-9.3!,f=-5.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -140:sc= -1.12 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0481 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00732 K(o=-0.0073,f=-1.3!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 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 65 ASN : amide:sc= -3.32 K(o=-3.3,f=-5.4!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.676 F(o=-1.9,f=-0.68) USER MOD Single : A 84 SER OG : rot -155:sc= -0.918 USER MOD Single : A 88 TYR OH : rot 180:sc= -2.3! USER MOD Single : A 91 THR OG1 : rot -140:sc= -0.0981 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 55:sc= -4.78! USER MOD Single : A 99 SER OG : rot 31:sc= 0.824 USER MOD Single : A 100 SER OG : rot 180:sc= -1.04 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -61:sc= 0.382 USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.78! USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 23.084 -6.923 -16.199 1.00 0.00 N ATOM 2 CA GLN A 1 22.344 -7.802 -17.122 1.00 0.00 C ATOM 3 C GLN A 1 20.816 -7.639 -16.985 1.00 0.00 C ATOM 4 O GLN A 1 20.148 -7.296 -17.943 1.00 0.00 O ATOM 5 CB GLN A 1 22.740 -9.235 -16.801 1.00 0.00 C ATOM 6 CG GLN A 1 24.239 -9.442 -16.856 1.00 0.00 C ATOM 7 CD GLN A 1 24.809 -9.838 -15.530 1.00 0.00 C ATOM 8 OE1 GLN A 1 24.951 -11.014 -15.228 1.00 0.00 O ATOM 9 NE2 GLN A 1 25.090 -8.849 -14.703 1.00 0.00 N ATOM 0 H1 GLN A 1 24.038 -6.750 -16.574 1.00 0.00 H new ATOM 0 H2 GLN A 1 22.581 -6.018 -16.103 1.00 0.00 H new ATOM 0 H3 GLN A 1 23.156 -7.380 -15.267 1.00 0.00 H new ATOM 0 HA GLN A 1 22.597 -7.536 -18.148 1.00 0.00 H new ATOM 0 HB2 GLN A 1 22.375 -9.497 -15.808 1.00 0.00 H new ATOM 0 HB3 GLN A 1 22.256 -9.910 -17.506 1.00 0.00 H new ATOM 0 HG2 GLN A 1 24.470 -10.212 -17.592 1.00 0.00 H new ATOM 0 HG3 GLN A 1 24.718 -8.523 -17.195 1.00 0.00 H new ATOM 0 HE21 GLN A 1 24.955 -7.882 -15.000 1.00 0.00 H new ATOM 0 HE22 GLN A 1 25.442 -9.051 -13.767 1.00 0.00 H new ATOM 18 N CYS A 2 20.290 -7.859 -15.767 1.00 0.00 N ATOM 19 CA CYS A 2 18.832 -7.786 -15.485 1.00 0.00 C ATOM 20 C CYS A 2 18.190 -6.426 -15.763 1.00 0.00 C ATOM 21 O CYS A 2 16.983 -6.326 -15.801 1.00 0.00 O ATOM 22 CB CYS A 2 18.463 -8.324 -14.090 1.00 0.00 C ATOM 23 SG CYS A 2 17.936 -10.071 -14.155 1.00 0.00 S ATOM 0 H CYS A 2 20.854 -8.092 -14.950 1.00 0.00 H new ATOM 0 HA CYS A 2 18.391 -8.460 -16.219 1.00 0.00 H new ATOM 0 HB2 CYS A 2 19.321 -8.228 -13.425 1.00 0.00 H new ATOM 0 HB3 CYS A 2 17.662 -7.718 -13.667 1.00 0.00 H new ATOM 28 N ASN A 3 19.010 -5.399 -15.900 1.00 0.00 N ATOM 29 CA ASN A 3 18.556 -3.998 -16.158 1.00 0.00 C ATOM 30 C ASN A 3 17.664 -3.485 -15.031 1.00 0.00 C ATOM 31 O ASN A 3 16.851 -2.580 -15.205 1.00 0.00 O ATOM 32 CB ASN A 3 17.871 -3.877 -17.577 1.00 0.00 C ATOM 33 CG ASN A 3 16.327 -3.936 -17.619 1.00 0.00 C ATOM 34 OD1 ASN A 3 15.637 -2.913 -17.504 1.00 0.00 O ATOM 35 ND2 ASN A 3 15.789 -5.109 -17.828 1.00 0.00 N ATOM 0 H ASN A 3 20.024 -5.490 -15.839 1.00 0.00 H new ATOM 0 HA ASN A 3 19.435 -3.353 -16.174 1.00 0.00 H new ATOM 0 HB2 ASN A 3 18.186 -2.935 -18.026 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.258 -4.676 -18.209 1.00 0.00 H new ATOM 0 HD21 ASN A 3 14.776 -5.200 -17.901 1.00 0.00 H new ATOM 0 HD22 ASN A 3 16.383 -5.934 -17.919 1.00 0.00 H new ATOM 42 N ALA A 4 17.977 -3.981 -13.814 1.00 0.00 N ATOM 43 CA ALA A 4 17.292 -3.637 -12.585 1.00 0.00 C ATOM 44 C ALA A 4 15.848 -4.078 -12.602 1.00 0.00 C ATOM 45 O ALA A 4 15.107 -3.782 -13.527 1.00 0.00 O ATOM 46 CB ALA A 4 17.412 -2.173 -12.281 1.00 0.00 C ATOM 0 H ALA A 4 18.736 -4.648 -13.674 1.00 0.00 H new ATOM 0 HA ALA A 4 17.786 -4.183 -11.781 1.00 0.00 H new ATOM 0 HB1 ALA A 4 16.887 -1.950 -11.352 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.464 -1.908 -12.175 1.00 0.00 H new ATOM 0 HB3 ALA A 4 16.973 -1.595 -13.094 1.00 0.00 H new ATOM 52 N PRO A 5 15.434 -4.805 -11.575 1.00 0.00 N ATOM 53 CA PRO A 5 14.082 -5.378 -11.534 1.00 0.00 C ATOM 54 C PRO A 5 12.976 -4.350 -11.696 1.00 0.00 C ATOM 55 O PRO A 5 12.074 -4.535 -12.509 1.00 0.00 O ATOM 56 CB PRO A 5 14.039 -5.992 -10.123 1.00 0.00 C ATOM 57 CG PRO A 5 15.146 -5.309 -9.370 1.00 0.00 C ATOM 58 CD PRO A 5 16.218 -5.095 -10.369 1.00 0.00 C ATOM 0 HA PRO A 5 13.910 -6.077 -12.352 1.00 0.00 H new ATOM 0 HB2 PRO A 5 13.073 -5.821 -9.647 1.00 0.00 H new ATOM 0 HB3 PRO A 5 14.191 -7.071 -10.157 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.809 -4.364 -8.945 1.00 0.00 H new ATOM 0 HG3 PRO A 5 15.497 -5.924 -8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.874 -4.268 -10.097 1.00 0.00 H new ATOM 0 HD3 PRO A 5 16.848 -5.976 -10.491 1.00 0.00 H new ATOM 66 N GLU A 6 13.118 -3.262 -10.949 1.00 0.00 N ATOM 67 CA GLU A 6 12.268 -2.058 -11.035 1.00 0.00 C ATOM 68 C GLU A 6 12.289 -1.362 -9.701 1.00 0.00 C ATOM 69 O GLU A 6 12.814 -1.906 -8.730 1.00 0.00 O ATOM 70 CB GLU A 6 10.796 -2.328 -11.469 1.00 0.00 C ATOM 71 CG GLU A 6 9.926 -3.127 -10.494 1.00 0.00 C ATOM 72 CD GLU A 6 8.511 -3.310 -11.031 1.00 0.00 C ATOM 73 OE1 GLU A 6 8.179 -2.689 -12.071 1.00 0.00 O ATOM 74 OE2 GLU A 6 7.740 -4.087 -10.442 1.00 0.00 O ATOM 0 H GLU A 6 13.848 -3.180 -10.241 1.00 0.00 H new ATOM 0 HA GLU A 6 12.688 -1.435 -11.824 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.312 -1.368 -11.648 1.00 0.00 H new ATOM 0 HB3 GLU A 6 10.814 -2.858 -12.421 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.378 -4.103 -10.317 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.888 -2.614 -9.533 1.00 0.00 H new ATOM 81 N TRP A 7 11.736 -0.178 -9.641 1.00 0.00 N ATOM 82 CA TRP A 7 11.609 0.503 -8.385 1.00 0.00 C ATOM 83 C TRP A 7 10.386 -0.015 -7.669 1.00 0.00 C ATOM 84 O TRP A 7 9.262 0.115 -8.151 1.00 0.00 O ATOM 85 CB TRP A 7 11.550 2.014 -8.582 1.00 0.00 C ATOM 86 CG TRP A 7 11.366 2.755 -7.304 1.00 0.00 C ATOM 87 CD1 TRP A 7 12.328 3.120 -6.420 1.00 0.00 C ATOM 88 CD2 TRP A 7 10.133 3.270 -6.794 1.00 0.00 C ATOM 89 NE1 TRP A 7 11.762 3.768 -5.355 1.00 0.00 N ATOM 90 CE2 TRP A 7 10.413 3.893 -5.572 1.00 0.00 C ATOM 91 CE3 TRP A 7 8.814 3.250 -7.252 1.00 0.00 C ATOM 92 CZ2 TRP A 7 9.422 4.494 -4.800 1.00 0.00 C ATOM 93 CZ3 TRP A 7 7.833 3.852 -6.490 1.00 0.00 C ATOM 94 CH2 TRP A 7 8.142 4.466 -5.274 1.00 0.00 C ATOM 0 H TRP A 7 11.369 0.330 -10.445 1.00 0.00 H new ATOM 0 HA TRP A 7 12.488 0.303 -7.772 1.00 0.00 H new ATOM 0 HB2 TRP A 7 12.469 2.349 -9.062 1.00 0.00 H new ATOM 0 HB3 TRP A 7 10.730 2.256 -9.258 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.384 2.928 -6.539 1.00 0.00 H new ATOM 0 HE1 TRP A 7 12.263 4.104 -4.532 1.00 0.00 H new ATOM 0 HE3 TRP A 7 8.565 2.771 -8.188 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.658 4.966 -3.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 6.811 3.848 -6.839 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.353 4.927 -4.698 1.00 0.00 H new ATOM 105 N LEU A 8 10.613 -0.587 -6.509 1.00 0.00 N ATOM 106 CA LEU A 8 9.569 -1.174 -5.735 1.00 0.00 C ATOM 107 C LEU A 8 9.499 -0.483 -4.390 1.00 0.00 C ATOM 108 O LEU A 8 10.405 -0.616 -3.578 1.00 0.00 O ATOM 109 CB LEU A 8 9.833 -2.677 -5.560 1.00 0.00 C ATOM 110 CG LEU A 8 8.626 -3.524 -5.139 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.473 -3.351 -6.120 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.998 -4.989 -5.024 1.00 0.00 C ATOM 0 H LEU A 8 11.537 -0.653 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 8 8.614 -1.051 -6.247 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.218 -3.071 -6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.619 -2.804 -4.816 1.00 0.00 H new ATOM 0 HG LEU A 8 8.305 -3.174 -4.158 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.629 -3.962 -5.800 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.173 -2.303 -6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.791 -3.664 -7.114 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.122 -5.564 -4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.357 -5.350 -5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.783 -5.108 -4.277 1.00 0.00 H new ATOM 124 N PRO A 9 8.436 0.299 -4.146 1.00 0.00 N ATOM 125 CA PRO A 9 8.251 1.028 -2.871 1.00 0.00 C ATOM 126 C PRO A 9 8.077 0.071 -1.689 1.00 0.00 C ATOM 127 O PRO A 9 8.299 0.435 -0.547 1.00 0.00 O ATOM 128 CB PRO A 9 6.949 1.823 -3.106 1.00 0.00 C ATOM 129 CG PRO A 9 6.248 1.074 -4.193 1.00 0.00 C ATOM 130 CD PRO A 9 7.331 0.564 -5.092 1.00 0.00 C ATOM 0 HA PRO A 9 9.110 1.650 -2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.343 1.870 -2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.159 2.851 -3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.657 0.253 -3.786 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.561 1.723 -4.736 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.026 -0.338 -5.623 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.611 1.299 -5.847 1.00 0.00 H new ATOM 138 N PHE A 10 7.654 -1.141 -1.997 1.00 0.00 N ATOM 139 CA PHE A 10 7.406 -2.180 -1.001 1.00 0.00 C ATOM 140 C PHE A 10 8.694 -2.537 -0.290 1.00 0.00 C ATOM 141 O PHE A 10 8.753 -2.731 0.931 1.00 0.00 O ATOM 142 CB PHE A 10 7.010 -3.471 -1.668 1.00 0.00 C ATOM 143 CG PHE A 10 5.761 -3.469 -2.442 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.825 -2.458 -2.341 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.549 -4.501 -3.313 1.00 0.00 C ATOM 146 CE1 PHE A 10 3.684 -2.492 -3.108 1.00 0.00 C ATOM 147 CE2 PHE A 10 4.429 -4.555 -4.083 1.00 0.00 C ATOM 148 CZ PHE A 10 3.479 -3.545 -3.988 1.00 0.00 C ATOM 0 H PHE A 10 7.469 -1.440 -2.955 1.00 0.00 H new ATOM 0 HA PHE A 10 6.636 -1.792 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.820 -3.770 -2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.930 -4.239 -0.898 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.990 -1.638 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.284 -5.288 -3.391 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.951 -1.703 -3.026 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.279 -5.379 -4.765 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.587 -3.580 -4.595 1.00 0.00 H new ATOM 158 N ALA A 11 9.725 -2.631 -1.106 1.00 0.00 N ATOM 159 CA ALA A 11 10.939 -3.282 -0.747 1.00 0.00 C ATOM 160 C ALA A 11 12.147 -2.365 -0.698 1.00 0.00 C ATOM 161 O ALA A 11 12.251 -1.382 -1.432 1.00 0.00 O ATOM 162 CB ALA A 11 11.160 -4.390 -1.758 1.00 0.00 C ATOM 0 H ALA A 11 9.728 -2.246 -2.050 1.00 0.00 H new ATOM 0 HA ALA A 11 10.837 -3.661 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 11 12.083 -4.919 -1.522 1.00 0.00 H new ATOM 0 HB2 ALA A 11 10.323 -5.087 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.233 -3.961 -2.758 1.00 0.00 H new ATOM 168 N ARG A 12 13.043 -2.707 0.195 1.00 0.00 N ATOM 169 CA ARG A 12 14.289 -2.016 0.360 1.00 0.00 C ATOM 170 C ARG A 12 15.418 -3.031 0.426 1.00 0.00 C ATOM 171 O ARG A 12 15.859 -3.385 1.508 1.00 0.00 O ATOM 172 CB ARG A 12 14.277 -1.171 1.645 1.00 0.00 C ATOM 173 CG ARG A 12 13.986 0.315 1.421 1.00 0.00 C ATOM 174 CD ARG A 12 15.273 1.143 1.445 1.00 0.00 C ATOM 175 NE ARG A 12 16.227 0.739 0.404 1.00 0.00 N ATOM 176 CZ ARG A 12 17.557 0.786 0.546 1.00 0.00 C ATOM 177 NH1 ARG A 12 18.104 1.305 1.646 1.00 0.00 N ATOM 178 NH2 ARG A 12 18.339 0.325 -0.429 1.00 0.00 N ATOM 0 H ARG A 12 12.920 -3.489 0.838 1.00 0.00 H new ATOM 0 HA ARG A 12 14.437 -1.349 -0.489 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.528 -1.577 2.325 1.00 0.00 H new ATOM 0 HB3 ARG A 12 15.244 -1.269 2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 12 13.483 0.449 0.464 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.305 0.675 2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 12 15.025 2.196 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.745 1.045 2.423 1.00 0.00 H new ATOM 0 HE ARG A 12 15.853 0.401 -0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.508 1.671 2.388 1.00 0.00 H new ATOM 0 HH12 ARG A 12 19.119 1.336 1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 12 17.923 -0.061 -1.277 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.353 0.358 -0.328 1.00 0.00 H new ATOM 192 N PRO A 13 15.875 -3.564 -0.735 1.00 0.00 N ATOM 193 CA PRO A 13 16.971 -4.527 -0.763 1.00 0.00 C ATOM 194 C PRO A 13 18.292 -3.908 -0.388 1.00 0.00 C ATOM 195 O PRO A 13 18.527 -2.713 -0.579 1.00 0.00 O ATOM 196 CB PRO A 13 16.944 -5.069 -2.182 1.00 0.00 C ATOM 197 CG PRO A 13 16.450 -3.933 -2.984 1.00 0.00 C ATOM 198 CD PRO A 13 15.401 -3.250 -2.115 1.00 0.00 C ATOM 0 HA PRO A 13 16.851 -5.319 -0.024 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.934 -5.388 -2.507 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.287 -5.934 -2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 13 17.260 -3.247 -3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 13 16.019 -4.274 -3.925 1.00 0.00 H new ATOM 0 HD2 PRO A 13 15.360 -2.176 -2.296 1.00 0.00 H new ATOM 0 HD3 PRO A 13 14.401 -3.643 -2.300 1.00 0.00 H new ATOM 206 N THR A 14 19.159 -4.740 0.098 1.00 0.00 N ATOM 207 CA THR A 14 20.372 -4.318 0.726 1.00 0.00 C ATOM 208 C THR A 14 21.557 -4.350 -0.244 1.00 0.00 C ATOM 209 O THR A 14 22.676 -4.005 0.116 1.00 0.00 O ATOM 210 CB THR A 14 20.682 -5.309 1.850 1.00 0.00 C ATOM 211 OG1 THR A 14 21.057 -6.560 1.275 1.00 0.00 O ATOM 212 CG2 THR A 14 19.454 -5.577 2.684 1.00 0.00 C ATOM 0 H THR A 14 19.041 -5.753 0.069 1.00 0.00 H new ATOM 0 HA THR A 14 20.237 -3.297 1.084 1.00 0.00 H new ATOM 0 HB THR A 14 21.474 -4.882 2.464 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.259 -7.201 1.989 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.699 -6.284 3.476 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.104 -4.644 3.126 1.00 0.00 H new ATOM 0 HG23 THR A 14 18.670 -5.997 2.053 1.00 0.00 H new ATOM 220 N GLN A 15 21.304 -4.775 -1.466 1.00 0.00 N ATOM 221 CA GLN A 15 22.383 -5.050 -2.401 1.00 0.00 C ATOM 222 C GLN A 15 22.288 -4.144 -3.614 1.00 0.00 C ATOM 223 O GLN A 15 23.253 -3.601 -4.088 1.00 0.00 O ATOM 224 CB GLN A 15 22.184 -6.466 -2.864 1.00 0.00 C ATOM 225 CG GLN A 15 21.864 -7.430 -1.745 1.00 0.00 C ATOM 226 CD GLN A 15 20.986 -8.539 -2.242 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.983 -8.156 -3.047 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 21.152 -9.702 -1.897 1.00 0.00 N flip ATOM 0 H GLN A 15 20.367 -4.937 -1.836 1.00 0.00 H new ATOM 0 HA GLN A 15 23.349 -4.889 -1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 15 21.376 -6.490 -3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 15 23.086 -6.802 -3.375 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.787 -7.843 -1.338 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.366 -6.901 -0.932 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.929 -9.946 -1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.513 -10.427 -2.223 1.00 0.00 H new ATOM 237 N LEU A 16 21.068 -3.897 -3.978 1.00 0.00 N ATOM 238 CA LEU A 16 20.659 -3.237 -5.207 1.00 0.00 C ATOM 239 C LEU A 16 21.125 -1.810 -5.394 1.00 0.00 C ATOM 240 O LEU A 16 21.431 -1.424 -6.504 1.00 0.00 O ATOM 241 CB LEU A 16 19.160 -3.410 -5.354 1.00 0.00 C ATOM 242 CG LEU A 16 18.479 -2.640 -6.440 1.00 0.00 C ATOM 243 CD1 LEU A 16 17.399 -3.492 -7.079 1.00 0.00 C ATOM 244 CD2 LEU A 16 17.844 -1.416 -5.805 1.00 0.00 C ATOM 0 H LEU A 16 20.272 -4.162 -3.398 1.00 0.00 H new ATOM 0 HA LEU A 16 21.183 -3.729 -6.027 1.00 0.00 H new ATOM 0 HB2 LEU A 16 18.958 -4.469 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.695 -3.137 -4.406 1.00 0.00 H new ATOM 0 HG LEU A 16 19.196 -2.353 -7.209 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.908 -2.924 -7.869 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.848 -4.390 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.665 -3.775 -6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 16 17.337 -0.830 -6.572 1.00 0.00 H new ATOM 0 HD22 LEU A 16 17.122 -1.730 -5.052 1.00 0.00 H new ATOM 0 HD23 LEU A 16 18.617 -0.808 -5.335 1.00 0.00 H new ATOM 256 N THR A 17 21.094 -1.034 -4.361 1.00 0.00 N ATOM 257 CA THR A 17 21.460 0.382 -4.442 1.00 0.00 C ATOM 258 C THR A 17 22.675 0.669 -5.404 1.00 0.00 C ATOM 259 O THR A 17 22.622 1.608 -6.185 1.00 0.00 O ATOM 260 CB THR A 17 21.753 0.946 -3.025 1.00 0.00 C ATOM 261 OG1 THR A 17 21.839 2.368 -3.064 1.00 0.00 O ATOM 262 CG2 THR A 17 23.030 0.354 -2.440 1.00 0.00 C ATOM 0 H THR A 17 20.818 -1.342 -3.429 1.00 0.00 H new ATOM 0 HA THR A 17 20.600 0.893 -4.875 1.00 0.00 H new ATOM 0 HB THR A 17 20.925 0.659 -2.376 1.00 0.00 H new ATOM 0 HG1 THR A 17 22.022 2.709 -2.164 1.00 0.00 H new ATOM 0 HG21 THR A 17 23.203 0.771 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 17 22.928 -0.729 -2.365 1.00 0.00 H new ATOM 0 HG23 THR A 17 23.873 0.595 -3.088 1.00 0.00 H new ATOM 270 N ASP A 18 23.747 -0.121 -5.313 1.00 0.00 N ATOM 271 CA ASP A 18 24.918 0.063 -6.183 1.00 0.00 C ATOM 272 C ASP A 18 24.815 -0.903 -7.371 1.00 0.00 C ATOM 273 O ASP A 18 25.323 -0.651 -8.454 1.00 0.00 O ATOM 274 CB ASP A 18 26.237 -0.128 -5.378 1.00 0.00 C ATOM 275 CG ASP A 18 27.527 0.254 -6.136 1.00 0.00 C ATOM 276 OD1 ASP A 18 27.560 0.217 -7.378 1.00 0.00 O ATOM 277 OD2 ASP A 18 28.516 0.626 -5.456 1.00 0.00 O ATOM 0 H ASP A 18 23.832 -0.892 -4.650 1.00 0.00 H new ATOM 0 HA ASP A 18 24.937 1.081 -6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 18 26.179 0.469 -4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 18 26.310 -1.171 -5.071 1.00 0.00 H new ATOM 282 N GLU A 19 24.078 -1.995 -7.141 1.00 0.00 N ATOM 283 CA GLU A 19 23.998 -3.102 -8.042 1.00 0.00 C ATOM 284 C GLU A 19 22.587 -3.598 -8.207 1.00 0.00 C ATOM 285 O GLU A 19 22.106 -4.498 -7.535 1.00 0.00 O ATOM 286 CB GLU A 19 24.952 -4.192 -7.614 1.00 0.00 C ATOM 287 CG GLU A 19 24.861 -4.548 -6.170 1.00 0.00 C ATOM 288 CD GLU A 19 25.923 -5.547 -5.739 1.00 0.00 C ATOM 289 OE1 GLU A 19 25.906 -6.695 -6.214 1.00 0.00 O ATOM 290 OE2 GLU A 19 26.811 -5.162 -4.935 1.00 0.00 O ATOM 0 H GLU A 19 23.516 -2.116 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 19 24.306 -2.761 -9.031 1.00 0.00 H new ATOM 0 HB2 GLU A 19 24.758 -5.084 -8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.971 -3.876 -7.836 1.00 0.00 H new ATOM 0 HG2 GLU A 19 24.957 -3.642 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.874 -4.963 -5.965 1.00 0.00 H new ATOM 297 N PHE A 20 21.954 -2.930 -9.067 1.00 0.00 N ATOM 298 CA PHE A 20 20.640 -3.195 -9.552 1.00 0.00 C ATOM 299 C PHE A 20 20.588 -4.506 -10.314 1.00 0.00 C ATOM 300 O PHE A 20 19.595 -5.234 -10.254 1.00 0.00 O ATOM 301 CB PHE A 20 20.232 -2.041 -10.433 1.00 0.00 C ATOM 302 CG PHE A 20 20.017 -0.778 -9.676 1.00 0.00 C ATOM 303 CD1 PHE A 20 21.060 0.095 -9.463 1.00 0.00 C ATOM 304 CD2 PHE A 20 18.761 -0.450 -9.189 1.00 0.00 C ATOM 305 CE1 PHE A 20 20.870 1.268 -8.773 1.00 0.00 C ATOM 306 CE2 PHE A 20 18.557 0.725 -8.496 1.00 0.00 C ATOM 307 CZ PHE A 20 19.613 1.587 -8.285 1.00 0.00 C ATOM 0 H PHE A 20 22.363 -2.103 -9.502 1.00 0.00 H new ATOM 0 HA PHE A 20 19.948 -3.293 -8.715 1.00 0.00 H new ATOM 0 HB2 PHE A 20 21.001 -1.879 -11.189 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.315 -2.301 -10.962 1.00 0.00 H new ATOM 0 HD1 PHE A 20 22.042 -0.146 -9.844 1.00 0.00 H new ATOM 0 HD2 PHE A 20 17.932 -1.123 -9.354 1.00 0.00 H new ATOM 0 HE1 PHE A 20 21.699 1.941 -8.611 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.574 0.969 -8.120 1.00 0.00 H new ATOM 0 HZ PHE A 20 19.461 2.508 -7.741 1.00 0.00 H new ATOM 317 N GLU A 21 21.649 -4.796 -11.056 1.00 0.00 N ATOM 318 CA GLU A 21 21.617 -5.900 -11.998 1.00 0.00 C ATOM 319 C GLU A 21 22.567 -7.031 -11.542 1.00 0.00 C ATOM 320 O GLU A 21 23.666 -6.765 -11.042 1.00 0.00 O ATOM 321 CB GLU A 21 22.065 -5.381 -13.341 1.00 0.00 C ATOM 322 CG GLU A 21 21.106 -4.331 -13.887 1.00 0.00 C ATOM 323 CD GLU A 21 21.500 -3.727 -15.206 1.00 0.00 C ATOM 324 OE1 GLU A 21 22.406 -4.224 -15.824 1.00 0.00 O ATOM 325 OE2 GLU A 21 20.932 -2.694 -15.572 1.00 0.00 O ATOM 0 H GLU A 21 22.532 -4.287 -11.023 1.00 0.00 H new ATOM 0 HA GLU A 21 20.606 -6.304 -12.056 1.00 0.00 H new ATOM 0 HB2 GLU A 21 23.063 -4.951 -13.251 1.00 0.00 H new ATOM 0 HB3 GLU A 21 22.137 -6.209 -14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 21 20.120 -4.783 -13.993 1.00 0.00 H new ATOM 0 HG3 GLU A 21 21.013 -3.531 -13.153 1.00 0.00 H new ATOM 332 N PHE A 22 22.134 -8.288 -11.731 1.00 0.00 N ATOM 333 CA PHE A 22 22.898 -9.464 -11.286 1.00 0.00 C ATOM 334 C PHE A 22 22.877 -10.569 -12.360 1.00 0.00 C ATOM 335 O PHE A 22 22.074 -10.516 -13.292 1.00 0.00 O ATOM 336 CB PHE A 22 22.296 -10.040 -9.981 1.00 0.00 C ATOM 337 CG PHE A 22 22.603 -9.273 -8.720 1.00 0.00 C ATOM 338 CD1 PHE A 22 21.906 -8.126 -8.399 1.00 0.00 C ATOM 339 CD2 PHE A 22 23.577 -9.726 -7.848 1.00 0.00 C ATOM 340 CE1 PHE A 22 22.175 -7.446 -7.231 1.00 0.00 C ATOM 341 CE2 PHE A 22 23.850 -9.048 -6.681 1.00 0.00 C ATOM 342 CZ PHE A 22 23.151 -7.910 -6.370 1.00 0.00 C ATOM 0 H PHE A 22 21.253 -8.516 -12.192 1.00 0.00 H new ATOM 0 HA PHE A 22 23.924 -9.141 -11.112 1.00 0.00 H new ATOM 0 HB2 PHE A 22 21.213 -10.094 -10.096 1.00 0.00 H new ATOM 0 HB3 PHE A 22 22.655 -11.062 -9.858 1.00 0.00 H new ATOM 0 HD1 PHE A 22 21.143 -7.758 -9.069 1.00 0.00 H new ATOM 0 HD2 PHE A 22 24.130 -10.623 -8.086 1.00 0.00 H new ATOM 0 HE1 PHE A 22 21.623 -6.550 -6.989 1.00 0.00 H new ATOM 0 HE2 PHE A 22 24.614 -9.412 -6.011 1.00 0.00 H new ATOM 0 HZ PHE A 22 23.363 -7.378 -5.454 1.00 0.00 H new ATOM 352 N PRO A 23 23.804 -11.544 -12.261 1.00 0.00 N ATOM 353 CA PRO A 23 23.831 -12.759 -13.100 1.00 0.00 C ATOM 354 C PRO A 23 22.718 -13.782 -12.732 1.00 0.00 C ATOM 355 O PRO A 23 22.127 -13.726 -11.638 1.00 0.00 O ATOM 356 CB PRO A 23 25.216 -13.349 -12.850 1.00 0.00 C ATOM 357 CG PRO A 23 25.517 -12.935 -11.462 1.00 0.00 C ATOM 358 CD PRO A 23 24.963 -11.532 -11.335 1.00 0.00 C ATOM 0 HA PRO A 23 23.643 -12.520 -14.147 1.00 0.00 H new ATOM 0 HB2 PRO A 23 25.216 -14.434 -12.955 1.00 0.00 H new ATOM 0 HB3 PRO A 23 25.952 -12.961 -13.554 1.00 0.00 H new ATOM 0 HG2 PRO A 23 25.053 -13.608 -10.741 1.00 0.00 H new ATOM 0 HG3 PRO A 23 26.590 -12.953 -11.270 1.00 0.00 H new ATOM 0 HD2 PRO A 23 24.660 -11.309 -10.312 1.00 0.00 H new ATOM 0 HD3 PRO A 23 25.699 -10.780 -11.620 1.00 0.00 H new ATOM 366 N ILE A 24 22.427 -14.699 -13.670 1.00 0.00 N ATOM 367 CA ILE A 24 21.430 -15.757 -13.471 1.00 0.00 C ATOM 368 C ILE A 24 21.913 -16.730 -12.444 1.00 0.00 C ATOM 369 O ILE A 24 23.068 -17.149 -12.452 1.00 0.00 O ATOM 370 CB ILE A 24 21.135 -16.548 -14.784 1.00 0.00 C ATOM 371 CG1 ILE A 24 20.500 -15.650 -15.807 1.00 0.00 C ATOM 372 CG2 ILE A 24 20.248 -17.780 -14.520 1.00 0.00 C ATOM 373 CD1 ILE A 24 20.429 -16.263 -17.178 1.00 0.00 C ATOM 0 H ILE A 24 22.877 -14.725 -14.585 1.00 0.00 H new ATOM 0 HA ILE A 24 20.514 -15.265 -13.145 1.00 0.00 H new ATOM 0 HB ILE A 24 22.087 -16.907 -15.174 1.00 0.00 H new ATOM 0 HG12 ILE A 24 19.493 -15.394 -15.479 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.064 -14.719 -15.862 1.00 0.00 H new ATOM 0 HG21 ILE A 24 20.065 -18.304 -15.458 1.00 0.00 H new ATOM 0 HG22 ILE A 24 20.753 -18.449 -13.823 1.00 0.00 H new ATOM 0 HG23 ILE A 24 19.298 -17.459 -14.092 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.959 -15.561 -17.867 1.00 0.00 H new ATOM 0 HD12 ILE A 24 21.436 -16.494 -17.526 1.00 0.00 H new ATOM 0 HD13 ILE A 24 19.840 -17.179 -17.137 1.00 0.00 H new ATOM 385 N GLY A 25 21.020 -17.074 -11.553 1.00 0.00 N ATOM 386 CA GLY A 25 21.372 -17.958 -10.474 1.00 0.00 C ATOM 387 C GLY A 25 21.903 -17.240 -9.242 1.00 0.00 C ATOM 388 O GLY A 25 22.584 -17.830 -8.411 1.00 0.00 O ATOM 0 H GLY A 25 20.050 -16.758 -11.553 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.495 -18.541 -10.194 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.125 -18.663 -10.825 1.00 0.00 H new ATOM 392 N THR A 26 21.598 -15.955 -9.135 1.00 0.00 N ATOM 393 CA THR A 26 21.972 -15.177 -7.976 1.00 0.00 C ATOM 394 C THR A 26 20.698 -14.650 -7.314 1.00 0.00 C ATOM 395 O THR A 26 19.841 -14.066 -7.974 1.00 0.00 O ATOM 396 CB THR A 26 22.908 -14.008 -8.365 1.00 0.00 C ATOM 397 OG1 THR A 26 24.092 -14.536 -8.981 1.00 0.00 O ATOM 398 CG2 THR A 26 23.319 -13.207 -7.141 1.00 0.00 C ATOM 0 H THR A 26 21.088 -15.431 -9.846 1.00 0.00 H new ATOM 0 HA THR A 26 22.520 -15.809 -7.277 1.00 0.00 H new ATOM 0 HB THR A 26 22.371 -13.355 -9.053 1.00 0.00 H new ATOM 0 HG1 THR A 26 24.874 -14.031 -8.673 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.976 -12.392 -7.443 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.431 -12.797 -6.659 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.845 -13.856 -6.441 1.00 0.00 H new ATOM 406 N TYR A 27 20.586 -14.872 -6.021 1.00 0.00 N ATOM 407 CA TYR A 27 19.372 -14.560 -5.293 1.00 0.00 C ATOM 408 C TYR A 27 19.554 -13.262 -4.474 1.00 0.00 C ATOM 409 O TYR A 27 20.484 -13.129 -3.688 1.00 0.00 O ATOM 410 CB TYR A 27 19.113 -15.769 -4.343 1.00 0.00 C ATOM 411 CG TYR A 27 18.652 -17.064 -5.041 1.00 0.00 C ATOM 412 CD1 TYR A 27 19.484 -17.742 -5.925 1.00 0.00 C ATOM 413 CD2 TYR A 27 17.411 -17.642 -4.750 1.00 0.00 C ATOM 414 CE1 TYR A 27 19.088 -18.930 -6.514 1.00 0.00 C ATOM 415 CE2 TYR A 27 17.018 -18.829 -5.341 1.00 0.00 C ATOM 416 CZ TYR A 27 17.855 -19.464 -6.221 1.00 0.00 C ATOM 417 OH TYR A 27 17.464 -20.641 -6.812 1.00 0.00 O ATOM 0 H TYR A 27 21.329 -15.271 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 27 18.533 -14.400 -5.970 1.00 0.00 H new ATOM 0 HB2 TYR A 27 20.029 -15.979 -3.790 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.358 -15.481 -3.611 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.457 -17.334 -6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.749 -17.152 -4.052 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.747 -19.437 -7.203 1.00 0.00 H new ATOM 0 HE2 TYR A 27 16.053 -19.255 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 27 16.568 -20.883 -6.498 1.00 0.00 H new ATOM 427 N LEU A 28 18.617 -12.331 -4.676 1.00 0.00 N ATOM 428 CA LEU A 28 18.594 -11.007 -3.999 1.00 0.00 C ATOM 429 C LEU A 28 17.842 -10.967 -2.684 1.00 0.00 C ATOM 430 O LEU A 28 16.825 -11.629 -2.512 1.00 0.00 O ATOM 431 CB LEU A 28 18.119 -9.876 -4.903 1.00 0.00 C ATOM 432 CG LEU A 28 19.185 -9.260 -5.796 1.00 0.00 C ATOM 433 CD1 LEU A 28 19.732 -10.268 -6.776 1.00 0.00 C ATOM 434 CD2 LEU A 28 18.652 -8.034 -6.494 1.00 0.00 C ATOM 0 H LEU A 28 17.838 -12.466 -5.320 1.00 0.00 H new ATOM 0 HA LEU A 28 19.645 -10.846 -3.759 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.314 -10.252 -5.534 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.694 -9.090 -4.279 1.00 0.00 H new ATOM 0 HG LEU A 28 20.017 -8.947 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.491 -9.795 -7.399 1.00 0.00 H new ATOM 0 HD12 LEU A 28 20.177 -11.101 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU A 28 18.924 -10.637 -7.407 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.430 -7.609 -7.128 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.794 -8.309 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.346 -7.297 -5.752 1.00 0.00 H new ATOM 446 N ASN A 29 18.361 -10.179 -1.755 1.00 0.00 N ATOM 447 CA ASN A 29 17.752 -10.017 -0.467 1.00 0.00 C ATOM 448 C ASN A 29 16.731 -8.868 -0.525 1.00 0.00 C ATOM 449 O ASN A 29 17.089 -7.690 -0.613 1.00 0.00 O ATOM 450 CB ASN A 29 18.815 -9.660 0.567 1.00 0.00 C ATOM 451 CG ASN A 29 18.260 -9.694 1.986 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.747 -8.702 2.498 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.363 -10.860 2.624 1.00 0.00 N ATOM 0 H ASN A 29 19.217 -9.639 -1.884 1.00 0.00 H new ATOM 0 HA ASN A 29 17.260 -10.949 -0.190 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.649 -10.357 0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 29 19.209 -8.666 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.008 -10.954 3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.797 -11.658 2.160 1.00 0.00 H new ATOM 460 N TYR A 30 15.490 -9.248 -0.502 1.00 0.00 N ATOM 461 CA TYR A 30 14.326 -8.351 -0.466 1.00 0.00 C ATOM 462 C TYR A 30 13.520 -8.492 0.799 1.00 0.00 C ATOM 463 O TYR A 30 13.319 -9.589 1.306 1.00 0.00 O ATOM 464 CB TYR A 30 13.414 -8.545 -1.686 1.00 0.00 C ATOM 465 CG TYR A 30 13.768 -7.748 -2.914 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.998 -7.830 -3.549 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.809 -6.902 -3.444 1.00 0.00 C ATOM 468 CE1 TYR A 30 15.253 -7.070 -4.679 1.00 0.00 C ATOM 469 CE2 TYR A 30 13.044 -6.152 -4.555 1.00 0.00 C ATOM 470 CZ TYR A 30 14.264 -6.229 -5.175 1.00 0.00 C ATOM 471 OH TYR A 30 14.510 -5.477 -6.290 1.00 0.00 O ATOM 0 H TYR A 30 15.226 -10.233 -0.508 1.00 0.00 H new ATOM 0 HA TYR A 30 14.736 -7.341 -0.491 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.417 -9.602 -1.951 1.00 0.00 H new ATOM 0 HB3 TYR A 30 12.394 -8.292 -1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.760 -8.489 -3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.845 -6.835 -2.961 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.213 -7.131 -5.171 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.275 -5.501 -4.945 1.00 0.00 H new ATOM 0 HH TYR A 30 13.717 -4.944 -6.507 1.00 0.00 H new ATOM 481 N GLU A 31 13.085 -7.358 1.294 1.00 0.00 N ATOM 482 CA GLU A 31 12.248 -7.274 2.471 1.00 0.00 C ATOM 483 C GLU A 31 11.037 -6.414 2.173 1.00 0.00 C ATOM 484 O GLU A 31 11.139 -5.426 1.437 1.00 0.00 O ATOM 485 CB GLU A 31 13.029 -6.646 3.632 1.00 0.00 C ATOM 486 CG GLU A 31 12.245 -6.532 4.930 1.00 0.00 C ATOM 487 CD GLU A 31 13.056 -5.928 6.047 1.00 0.00 C ATOM 488 OE1 GLU A 31 14.144 -5.381 5.774 1.00 0.00 O ATOM 489 OE2 GLU A 31 12.591 -5.960 7.200 1.00 0.00 O ATOM 0 H GLU A 31 13.306 -6.450 0.884 1.00 0.00 H new ATOM 0 HA GLU A 31 11.932 -8.280 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 31 13.925 -7.240 3.814 1.00 0.00 H new ATOM 0 HB3 GLU A 31 13.361 -5.651 3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 31 11.357 -5.923 4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.901 -7.522 5.230 1.00 0.00 H new ATOM 496 N CYS A 32 9.906 -6.775 2.735 1.00 0.00 N ATOM 497 CA CYS A 32 8.705 -5.982 2.557 1.00 0.00 C ATOM 498 C CYS A 32 8.591 -5.011 3.726 1.00 0.00 C ATOM 499 O CYS A 32 8.941 -5.362 4.860 1.00 0.00 O ATOM 500 CB CYS A 32 7.419 -6.864 2.508 1.00 0.00 C ATOM 501 SG CYS A 32 7.305 -8.009 1.086 1.00 0.00 S ATOM 0 H CYS A 32 9.789 -7.606 3.315 1.00 0.00 H new ATOM 0 HA CYS A 32 8.784 -5.456 1.606 1.00 0.00 H new ATOM 0 HB2 CYS A 32 7.364 -7.447 3.427 1.00 0.00 H new ATOM 0 HB3 CYS A 32 6.549 -6.207 2.494 1.00 0.00 H new ATOM 506 N ARG A 33 8.160 -3.792 3.448 1.00 0.00 N ATOM 507 CA ARG A 33 7.903 -2.826 4.509 1.00 0.00 C ATOM 508 C ARG A 33 6.799 -3.397 5.403 1.00 0.00 C ATOM 509 O ARG A 33 6.101 -4.330 4.997 1.00 0.00 O ATOM 510 CB ARG A 33 7.445 -1.496 3.902 1.00 0.00 C ATOM 511 CG ARG A 33 8.362 -0.306 4.195 1.00 0.00 C ATOM 512 CD ARG A 33 9.738 -0.436 3.545 1.00 0.00 C ATOM 513 NE ARG A 33 10.695 -1.176 4.384 1.00 0.00 N ATOM 514 CZ ARG A 33 11.353 -2.275 4.017 1.00 0.00 C ATOM 515 NH1 ARG A 33 11.069 -2.861 2.863 1.00 0.00 N ATOM 516 NH2 ARG A 33 12.279 -2.800 4.822 1.00 0.00 N ATOM 0 H ARG A 33 7.981 -3.447 2.505 1.00 0.00 H new ATOM 0 HA ARG A 33 8.808 -2.646 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.362 -1.615 2.822 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.447 -1.267 4.275 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.885 0.608 3.842 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.484 -0.206 5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.635 -0.942 2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.134 0.559 3.340 1.00 0.00 H new ATOM 0 HE ARG A 33 10.869 -0.818 5.323 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.347 -2.471 2.257 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.572 -3.702 2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.484 -2.360 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.782 -3.641 4.540 1.00 0.00 H new ATOM 530 N PRO A 34 6.617 -2.880 6.616 1.00 0.00 N ATOM 531 CA PRO A 34 5.557 -3.359 7.494 1.00 0.00 C ATOM 532 C PRO A 34 4.186 -3.137 6.891 1.00 0.00 C ATOM 533 O PRO A 34 3.944 -2.138 6.207 1.00 0.00 O ATOM 534 CB PRO A 34 5.722 -2.539 8.766 1.00 0.00 C ATOM 535 CG PRO A 34 7.093 -1.967 8.692 1.00 0.00 C ATOM 536 CD PRO A 34 7.405 -1.810 7.234 1.00 0.00 C ATOM 0 HA PRO A 34 5.631 -4.432 7.669 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.971 -1.752 8.826 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.603 -3.161 9.653 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.142 -1.007 9.206 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.815 -2.625 9.176 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.115 -0.827 6.862 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.470 -1.925 7.034 1.00 0.00 H new ATOM 544 N GLY A 35 3.288 -4.053 7.165 1.00 0.00 N ATOM 545 CA GLY A 35 1.979 -3.977 6.603 1.00 0.00 C ATOM 546 C GLY A 35 1.839 -4.769 5.337 1.00 0.00 C ATOM 547 O GLY A 35 0.775 -4.746 4.711 1.00 0.00 O ATOM 0 H GLY A 35 3.448 -4.855 7.774 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.254 -4.338 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.736 -2.934 6.401 1.00 0.00 H new ATOM 551 N TYR A 36 2.890 -5.481 4.930 1.00 0.00 N ATOM 552 CA TYR A 36 2.754 -6.274 3.730 1.00 0.00 C ATOM 553 C TYR A 36 2.683 -7.771 4.031 1.00 0.00 C ATOM 554 O TYR A 36 3.507 -8.335 4.744 1.00 0.00 O ATOM 555 CB TYR A 36 3.846 -5.963 2.713 1.00 0.00 C ATOM 556 CG TYR A 36 3.770 -4.558 2.148 1.00 0.00 C ATOM 557 CD1 TYR A 36 2.773 -4.210 1.252 1.00 0.00 C ATOM 558 CD2 TYR A 36 4.664 -3.575 2.531 1.00 0.00 C ATOM 559 CE1 TYR A 36 2.673 -2.935 0.750 1.00 0.00 C ATOM 560 CE2 TYR A 36 4.570 -2.291 2.033 1.00 0.00 C ATOM 561 CZ TYR A 36 3.576 -1.975 1.146 1.00 0.00 C ATOM 562 OH TYR A 36 3.481 -0.696 0.657 1.00 0.00 O ATOM 0 H TYR A 36 3.798 -5.521 5.393 1.00 0.00 H new ATOM 0 HA TYR A 36 1.802 -5.992 3.281 1.00 0.00 H new ATOM 0 HB2 TYR A 36 4.819 -6.104 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.782 -6.679 1.893 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.058 -4.957 0.941 1.00 0.00 H new ATOM 0 HD2 TYR A 36 5.449 -3.816 3.232 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.890 -2.688 0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.279 -1.537 2.342 1.00 0.00 H new ATOM 0 HH TYR A 36 4.196 -0.146 1.040 1.00 0.00 H new ATOM 572 N SER A 37 1.664 -8.361 3.466 1.00 0.00 N ATOM 573 CA SER A 37 1.324 -9.770 3.619 1.00 0.00 C ATOM 574 C SER A 37 2.361 -10.733 3.076 1.00 0.00 C ATOM 575 O SER A 37 2.649 -11.752 3.695 1.00 0.00 O ATOM 576 CB SER A 37 -0.033 -10.056 2.996 1.00 0.00 C ATOM 577 OG SER A 37 -0.556 -11.296 3.453 1.00 0.00 O ATOM 0 H SER A 37 1.014 -7.861 2.859 1.00 0.00 H new ATOM 0 HA SER A 37 1.293 -9.946 4.694 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.727 -9.252 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.059 -10.075 1.910 1.00 0.00 H new ATOM 0 HG SER A 37 -1.430 -11.455 3.039 1.00 0.00 H new ATOM 583 N GLY A 38 2.898 -10.410 1.908 1.00 0.00 N ATOM 584 CA GLY A 38 3.666 -11.368 1.166 1.00 0.00 C ATOM 585 C GLY A 38 4.895 -11.869 1.860 1.00 0.00 C ATOM 586 O GLY A 38 5.568 -11.137 2.587 1.00 0.00 O ATOM 0 H GLY A 38 2.810 -9.495 1.466 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.027 -12.219 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.960 -10.919 0.217 1.00 0.00 H new ATOM 590 N ARG A 39 5.179 -13.139 1.609 1.00 0.00 N ATOM 591 CA ARG A 39 6.318 -13.817 2.160 1.00 0.00 C ATOM 592 C ARG A 39 7.498 -13.479 1.298 1.00 0.00 C ATOM 593 O ARG A 39 7.547 -13.890 0.129 1.00 0.00 O ATOM 594 CB ARG A 39 6.087 -15.330 2.129 1.00 0.00 C ATOM 595 CG ARG A 39 6.989 -16.142 3.049 1.00 0.00 C ATOM 596 CD ARG A 39 6.458 -16.163 4.471 1.00 0.00 C ATOM 597 NE ARG A 39 5.052 -16.619 4.522 1.00 0.00 N ATOM 598 CZ ARG A 39 4.616 -17.847 4.182 1.00 0.00 C ATOM 599 NH1 ARG A 39 5.478 -18.792 3.821 1.00 0.00 N ATOM 600 NH2 ARG A 39 3.317 -18.127 4.230 1.00 0.00 N ATOM 0 H ARG A 39 4.607 -13.728 1.004 1.00 0.00 H new ATOM 0 HA ARG A 39 6.484 -13.510 3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.049 -15.529 2.396 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.226 -15.682 1.107 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.069 -17.162 2.674 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.994 -15.720 3.041 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.077 -16.821 5.081 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.533 -15.165 4.902 1.00 0.00 H new ATOM 0 HE ARG A 39 4.354 -15.947 4.841 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.477 -18.590 3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.140 -19.720 3.565 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.652 -17.412 4.524 1.00 0.00 H new ATOM 0 HH22 ARG A 39 2.986 -19.057 3.973 1.00 0.00 H new ATOM 614 N PRO A 40 8.446 -12.701 1.812 1.00 0.00 N ATOM 615 CA PRO A 40 9.564 -12.276 1.009 1.00 0.00 C ATOM 616 C PRO A 40 10.408 -13.457 0.558 1.00 0.00 C ATOM 617 O PRO A 40 10.640 -14.404 1.318 1.00 0.00 O ATOM 618 CB PRO A 40 10.350 -11.343 1.950 1.00 0.00 C ATOM 619 CG PRO A 40 9.963 -11.782 3.327 1.00 0.00 C ATOM 620 CD PRO A 40 8.546 -12.269 3.215 1.00 0.00 C ATOM 0 HA PRO A 40 9.258 -11.782 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.425 -11.435 1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 40 10.091 -10.298 1.780 1.00 0.00 H new ATOM 0 HG2 PRO A 40 10.622 -12.573 3.685 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.039 -10.958 4.037 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.347 -13.090 3.904 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.830 -11.480 3.445 1.00 0.00 H new ATOM 628 N PHE A 41 10.873 -13.381 -0.661 1.00 0.00 N ATOM 629 CA PHE A 41 11.761 -14.368 -1.232 1.00 0.00 C ATOM 630 C PHE A 41 12.733 -13.665 -2.155 1.00 0.00 C ATOM 631 O PHE A 41 12.454 -12.558 -2.628 1.00 0.00 O ATOM 632 CB PHE A 41 11.031 -15.513 -1.973 1.00 0.00 C ATOM 633 CG PHE A 41 10.133 -16.366 -1.114 1.00 0.00 C ATOM 634 CD1 PHE A 41 10.661 -17.243 -0.173 1.00 0.00 C ATOM 635 CD2 PHE A 41 8.765 -16.291 -1.252 1.00 0.00 C ATOM 636 CE1 PHE A 41 9.829 -18.024 0.608 1.00 0.00 C ATOM 637 CE2 PHE A 41 7.932 -17.067 -0.483 1.00 0.00 C ATOM 638 CZ PHE A 41 8.461 -17.935 0.449 1.00 0.00 C ATOM 0 H PHE A 41 10.643 -12.619 -1.299 1.00 0.00 H new ATOM 0 HA PHE A 41 12.288 -14.851 -0.409 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.435 -15.081 -2.777 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.777 -16.156 -2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.732 -17.315 -0.051 1.00 0.00 H new ATOM 0 HD2 PHE A 41 8.340 -15.612 -1.976 1.00 0.00 H new ATOM 0 HE1 PHE A 41 10.248 -18.700 1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.862 -16.997 -0.608 1.00 0.00 H new ATOM 0 HZ PHE A 41 7.806 -18.544 1.054 1.00 0.00 H new ATOM 648 N SER A 42 13.847 -14.283 -2.402 1.00 0.00 N ATOM 649 CA SER A 42 14.873 -13.715 -3.259 1.00 0.00 C ATOM 650 C SER A 42 14.446 -13.695 -4.751 1.00 0.00 C ATOM 651 O SER A 42 13.681 -14.552 -5.200 1.00 0.00 O ATOM 652 CB SER A 42 16.141 -14.527 -3.106 1.00 0.00 C ATOM 653 OG SER A 42 16.449 -14.731 -1.729 1.00 0.00 O ATOM 0 H SER A 42 14.083 -15.199 -2.020 1.00 0.00 H new ATOM 0 HA SER A 42 15.035 -12.681 -2.954 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.024 -15.490 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.968 -14.014 -3.596 1.00 0.00 H new ATOM 0 HG SER A 42 17.271 -15.259 -1.652 1.00 0.00 H new ATOM 659 N ILE A 43 14.928 -12.689 -5.495 1.00 0.00 N ATOM 660 CA ILE A 43 14.685 -12.600 -6.930 1.00 0.00 C ATOM 661 C ILE A 43 15.946 -13.010 -7.697 1.00 0.00 C ATOM 662 O ILE A 43 17.052 -12.577 -7.378 1.00 0.00 O ATOM 663 CB ILE A 43 14.196 -11.197 -7.407 1.00 0.00 C ATOM 664 CG1 ILE A 43 15.201 -10.099 -7.082 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.836 -10.876 -6.830 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.852 -8.754 -7.710 1.00 0.00 C ATOM 0 H ILE A 43 15.490 -11.926 -5.118 1.00 0.00 H new ATOM 0 HA ILE A 43 13.868 -13.289 -7.145 1.00 0.00 H new ATOM 0 HB ILE A 43 14.108 -11.238 -8.493 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.262 -9.982 -6.000 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.188 -10.407 -7.426 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.516 -9.893 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.116 -11.627 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.893 -10.876 -5.742 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.609 -8.018 -7.438 1.00 0.00 H new ATOM 0 HD12 ILE A 43 14.819 -8.857 -8.795 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.879 -8.424 -7.347 1.00 0.00 H new ATOM 678 N ILE A 44 15.757 -13.919 -8.638 1.00 0.00 N ATOM 679 CA ILE A 44 16.836 -14.508 -9.430 1.00 0.00 C ATOM 680 C ILE A 44 16.609 -14.223 -10.948 1.00 0.00 C ATOM 681 O ILE A 44 15.513 -14.399 -11.431 1.00 0.00 O ATOM 682 CB ILE A 44 16.910 -16.049 -9.204 1.00 0.00 C ATOM 683 CG1 ILE A 44 16.684 -16.393 -7.731 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.286 -16.548 -9.598 1.00 0.00 C ATOM 685 CD1 ILE A 44 15.224 -16.633 -7.375 1.00 0.00 C ATOM 0 H ILE A 44 14.834 -14.279 -8.882 1.00 0.00 H new ATOM 0 HA ILE A 44 17.774 -14.056 -9.109 1.00 0.00 H new ATOM 0 HB ILE A 44 16.136 -16.520 -9.810 1.00 0.00 H new ATOM 0 HG12 ILE A 44 17.260 -17.284 -7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 44 17.070 -15.582 -7.114 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.341 -17.625 -9.441 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.467 -16.325 -10.649 1.00 0.00 H new ATOM 0 HG23 ILE A 44 19.041 -16.053 -8.987 1.00 0.00 H new ATOM 0 HD11 ILE A 44 15.143 -16.872 -6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.645 -15.735 -7.590 1.00 0.00 H new ATOM 0 HD13 ILE A 44 14.838 -17.464 -7.965 1.00 0.00 H new ATOM 697 N CYS A 45 17.621 -13.704 -11.657 1.00 0.00 N ATOM 698 CA CYS A 45 17.538 -13.432 -13.150 1.00 0.00 C ATOM 699 C CYS A 45 17.200 -14.696 -14.029 1.00 0.00 C ATOM 700 O CYS A 45 17.776 -14.898 -15.081 1.00 0.00 O ATOM 701 CB CYS A 45 18.872 -12.816 -13.611 1.00 0.00 C ATOM 702 SG CYS A 45 19.195 -11.131 -12.994 1.00 0.00 S ATOM 0 H CYS A 45 18.520 -13.454 -11.245 1.00 0.00 H new ATOM 0 HA CYS A 45 16.704 -12.746 -13.298 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.686 -13.467 -13.290 1.00 0.00 H new ATOM 0 HB3 CYS A 45 18.889 -12.797 -14.701 1.00 0.00 H new ATOM 707 N LEU A 46 16.229 -15.486 -13.590 1.00 0.00 N ATOM 708 CA LEU A 46 15.878 -16.791 -14.186 1.00 0.00 C ATOM 709 C LEU A 46 15.377 -16.704 -15.625 1.00 0.00 C ATOM 710 O LEU A 46 15.740 -17.516 -16.471 1.00 0.00 O ATOM 711 CB LEU A 46 14.825 -17.503 -13.345 1.00 0.00 C ATOM 712 CG LEU A 46 15.283 -17.921 -11.958 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.145 -18.552 -11.162 1.00 0.00 C ATOM 714 CD2 LEU A 46 16.491 -18.825 -12.010 1.00 0.00 C ATOM 0 H LEU A 46 15.643 -15.242 -12.791 1.00 0.00 H new ATOM 0 HA LEU A 46 16.810 -17.356 -14.201 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.960 -16.848 -13.243 1.00 0.00 H new ATOM 0 HB3 LEU A 46 14.491 -18.390 -13.883 1.00 0.00 H new ATOM 0 HG LEU A 46 15.587 -17.014 -11.435 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.507 -18.839 -10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.333 -17.833 -11.055 1.00 0.00 H new ATOM 0 HD13 LEU A 46 13.781 -19.435 -11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 46 16.784 -19.099 -10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.247 -19.726 -12.574 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.315 -18.304 -12.497 1.00 0.00 H new ATOM 726 N LYS A 47 14.529 -15.728 -15.895 1.00 0.00 N ATOM 727 CA LYS A 47 13.958 -15.616 -17.216 1.00 0.00 C ATOM 728 C LYS A 47 14.527 -14.558 -18.036 1.00 0.00 C ATOM 729 O LYS A 47 14.353 -13.398 -17.760 1.00 0.00 O ATOM 730 CB LYS A 47 12.457 -15.516 -17.168 1.00 0.00 C ATOM 731 CG LYS A 47 11.878 -15.234 -18.526 1.00 0.00 C ATOM 732 CD LYS A 47 10.444 -15.511 -18.545 1.00 0.00 C ATOM 733 CE LYS A 47 10.382 -17.019 -18.608 1.00 0.00 C ATOM 734 NZ LYS A 47 9.030 -17.550 -18.872 1.00 0.00 N ATOM 0 H LYS A 47 14.228 -15.017 -15.229 1.00 0.00 H new ATOM 0 HA LYS A 47 14.231 -16.546 -17.714 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.042 -16.447 -16.781 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.166 -14.725 -16.476 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.055 -14.192 -18.793 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.381 -15.845 -19.275 1.00 0.00 H new ATOM 0 HD2 LYS A 47 9.948 -15.125 -17.655 1.00 0.00 H new ATOM 0 HD3 LYS A 47 9.957 -15.052 -19.405 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.058 -17.369 -19.388 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.745 -17.428 -17.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.065 -18.589 -18.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.384 -17.246 -18.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 8.688 -17.189 -19.785 1.00 0.00 H new ATOM 748 N ASN A 48 15.204 -14.991 -19.092 1.00 0.00 N ATOM 749 CA ASN A 48 15.760 -14.098 -20.095 1.00 0.00 C ATOM 750 C ASN A 48 16.642 -13.054 -19.434 1.00 0.00 C ATOM 751 O ASN A 48 16.760 -11.933 -19.934 1.00 0.00 O ATOM 752 CB ASN A 48 14.630 -13.431 -20.887 1.00 0.00 C ATOM 753 CG ASN A 48 13.912 -14.394 -21.813 1.00 0.00 C ATOM 754 OD1 ASN A 48 14.445 -15.434 -22.161 1.00 0.00 O ATOM 755 ND2 ASN A 48 12.697 -14.058 -22.203 1.00 0.00 N ATOM 0 H ASN A 48 15.383 -15.978 -19.276 1.00 0.00 H new ATOM 0 HA ASN A 48 16.373 -14.676 -20.787 1.00 0.00 H new ATOM 0 HB2 ASN A 48 13.911 -12.999 -20.191 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.040 -12.608 -21.473 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.169 -14.678 -22.818 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.286 -13.179 -21.890 1.00 0.00 H new ATOM 762 N SER A 49 17.326 -13.446 -18.348 1.00 0.00 N ATOM 763 CA SER A 49 18.085 -12.494 -17.540 1.00 0.00 C ATOM 764 C SER A 49 17.224 -11.264 -17.159 1.00 0.00 C ATOM 765 O SER A 49 17.748 -10.174 -16.988 1.00 0.00 O ATOM 766 CB SER A 49 19.347 -12.050 -18.296 1.00 0.00 C ATOM 767 OG SER A 49 19.940 -13.144 -18.980 1.00 0.00 O ATOM 0 H SER A 49 17.366 -14.409 -18.015 1.00 0.00 H new ATOM 0 HA SER A 49 18.379 -12.993 -16.616 1.00 0.00 H new ATOM 0 HB2 SER A 49 19.092 -11.266 -19.009 1.00 0.00 H new ATOM 0 HB3 SER A 49 20.064 -11.623 -17.595 1.00 0.00 H new ATOM 0 HG SER A 49 20.740 -12.838 -19.455 1.00 0.00 H new ATOM 773 N VAL A 50 15.881 -11.453 -17.080 1.00 0.00 N ATOM 774 CA VAL A 50 14.967 -10.349 -16.757 1.00 0.00 C ATOM 775 C VAL A 50 14.712 -10.256 -15.255 1.00 0.00 C ATOM 776 O VAL A 50 14.880 -9.230 -14.717 1.00 0.00 O ATOM 777 CB VAL A 50 13.612 -10.502 -17.505 1.00 0.00 C ATOM 778 CG1 VAL A 50 12.605 -9.449 -17.079 1.00 0.00 C ATOM 779 CG2 VAL A 50 13.827 -10.437 -19.002 1.00 0.00 C ATOM 0 H VAL A 50 15.421 -12.350 -17.235 1.00 0.00 H new ATOM 0 HA VAL A 50 15.452 -9.430 -17.087 1.00 0.00 H new ATOM 0 HB VAL A 50 13.203 -11.477 -17.240 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.674 -9.594 -17.626 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.415 -9.539 -16.009 1.00 0.00 H new ATOM 0 HG13 VAL A 50 13.002 -8.457 -17.295 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.870 -10.546 -19.512 1.00 0.00 H new ATOM 0 HG22 VAL A 50 14.271 -9.477 -19.264 1.00 0.00 H new ATOM 0 HG23 VAL A 50 14.495 -11.242 -19.309 1.00 0.00 H new ATOM 789 N TRP A 51 14.255 -11.400 -14.664 1.00 0.00 N ATOM 790 CA TRP A 51 14.030 -11.697 -13.195 1.00 0.00 C ATOM 791 C TRP A 51 12.953 -12.770 -13.033 1.00 0.00 C ATOM 792 O TRP A 51 12.277 -13.133 -13.999 1.00 0.00 O ATOM 793 CB TRP A 51 13.680 -10.526 -12.261 1.00 0.00 C ATOM 794 CG TRP A 51 14.814 -9.599 -11.923 1.00 0.00 C ATOM 795 CD1 TRP A 51 14.955 -8.330 -12.327 1.00 0.00 C ATOM 796 CD2 TRP A 51 15.976 -9.899 -11.153 1.00 0.00 C ATOM 797 NE1 TRP A 51 16.128 -7.801 -11.864 1.00 0.00 N ATOM 798 CE2 TRP A 51 16.774 -8.747 -11.132 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.417 -11.022 -10.478 1.00 0.00 C ATOM 800 CZ2 TRP A 51 17.994 -8.692 -10.468 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.626 -10.971 -9.819 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.400 -9.816 -9.816 1.00 0.00 C ATOM 0 H TRP A 51 14.012 -12.208 -15.237 1.00 0.00 H new ATOM 0 HA TRP A 51 15.020 -12.020 -12.871 1.00 0.00 H new ATOM 0 HB2 TRP A 51 12.884 -9.942 -12.723 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.279 -10.933 -11.333 1.00 0.00 H new ATOM 0 HD1 TRP A 51 14.240 -7.797 -12.936 1.00 0.00 H new ATOM 0 HE1 TRP A 51 16.463 -6.854 -12.039 1.00 0.00 H new ATOM 0 HE3 TRP A 51 15.824 -11.924 -10.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 18.595 -7.795 -10.469 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 17.980 -11.846 -9.294 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.341 -9.810 -9.286 1.00 0.00 H new ATOM 813 N THR A 52 12.835 -13.299 -11.816 1.00 0.00 N ATOM 814 CA THR A 52 11.815 -14.308 -11.485 1.00 0.00 C ATOM 815 C THR A 52 10.402 -13.739 -11.527 1.00 0.00 C ATOM 816 O THR A 52 9.460 -14.418 -11.905 1.00 0.00 O ATOM 817 CB THR A 52 12.046 -14.866 -10.074 1.00 0.00 C ATOM 818 OG1 THR A 52 12.025 -13.787 -9.123 1.00 0.00 O ATOM 819 CG2 THR A 52 13.364 -15.498 -10.005 1.00 0.00 C ATOM 0 H THR A 52 13.437 -13.046 -11.032 1.00 0.00 H new ATOM 0 HA THR A 52 11.910 -15.092 -12.237 1.00 0.00 H new ATOM 0 HB THR A 52 11.264 -15.591 -9.850 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.171 -14.143 -8.222 1.00 0.00 H new ATOM 0 HG21 THR A 52 13.526 -15.893 -9.002 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.416 -16.312 -10.729 1.00 0.00 H new ATOM 0 HG23 THR A 52 14.134 -14.760 -10.233 1.00 0.00 H new ATOM 827 N GLY A 53 10.278 -12.490 -11.140 1.00 0.00 N ATOM 828 CA GLY A 53 8.968 -11.881 -11.036 1.00 0.00 C ATOM 829 C GLY A 53 8.812 -11.140 -9.731 1.00 0.00 C ATOM 830 O GLY A 53 8.019 -11.520 -8.866 1.00 0.00 O ATOM 0 H GLY A 53 11.058 -11.880 -10.894 1.00 0.00 H new ATOM 0 HA2 GLY A 53 8.817 -11.193 -11.868 1.00 0.00 H new ATOM 0 HA3 GLY A 53 8.199 -12.650 -11.115 1.00 0.00 H new ATOM 834 N ALA A 54 9.595 -10.082 -9.584 1.00 0.00 N ATOM 835 CA ALA A 54 9.623 -9.253 -8.374 1.00 0.00 C ATOM 836 C ALA A 54 8.382 -8.354 -8.225 1.00 0.00 C ATOM 837 O ALA A 54 8.435 -7.331 -7.543 1.00 0.00 O ATOM 838 CB ALA A 54 10.883 -8.404 -8.377 1.00 0.00 C ATOM 0 H ALA A 54 10.240 -9.765 -10.308 1.00 0.00 H new ATOM 0 HA ALA A 54 9.618 -9.929 -7.519 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.908 -7.786 -7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.759 -9.053 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.888 -7.763 -9.259 1.00 0.00 H new ATOM 844 N LYS A 55 7.264 -8.756 -8.807 1.00 0.00 N ATOM 845 CA LYS A 55 6.062 -7.929 -8.765 1.00 0.00 C ATOM 846 C LYS A 55 4.987 -8.601 -7.893 1.00 0.00 C ATOM 847 O LYS A 55 5.012 -9.823 -7.693 1.00 0.00 O ATOM 848 CB LYS A 55 5.455 -7.776 -10.135 1.00 0.00 C ATOM 849 CG LYS A 55 4.762 -9.027 -10.576 1.00 0.00 C ATOM 850 CD LYS A 55 4.133 -8.897 -11.911 1.00 0.00 C ATOM 851 CE LYS A 55 3.469 -10.190 -12.229 1.00 0.00 C ATOM 852 NZ LYS A 55 2.778 -10.174 -13.541 1.00 0.00 N ATOM 0 H LYS A 55 7.160 -9.638 -9.309 1.00 0.00 H new ATOM 0 HA LYS A 55 6.361 -6.960 -8.366 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.744 -6.949 -10.128 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.235 -7.520 -10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.480 -9.846 -10.597 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.998 -9.291 -9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.407 -8.084 -11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.883 -8.657 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.214 -10.986 -12.225 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.748 -10.425 -11.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.334 -11.099 -13.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.047 -9.434 -13.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.468 -9.978 -14.294 1.00 0.00 H new ATOM 866 N ASP A 56 4.067 -7.776 -7.360 1.00 0.00 N ATOM 867 CA ASP A 56 2.911 -8.224 -6.520 1.00 0.00 C ATOM 868 C ASP A 56 3.430 -9.047 -5.340 1.00 0.00 C ATOM 869 O ASP A 56 2.699 -9.781 -4.673 1.00 0.00 O ATOM 870 CB ASP A 56 1.948 -9.076 -7.394 1.00 0.00 C ATOM 871 CG ASP A 56 0.496 -8.951 -6.998 1.00 0.00 C ATOM 872 OD1 ASP A 56 0.211 -8.925 -5.800 1.00 0.00 O ATOM 873 OD2 ASP A 56 -0.373 -8.891 -7.903 1.00 0.00 O ATOM 0 H ASP A 56 4.095 -6.765 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 56 2.371 -7.360 -6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.058 -8.777 -8.436 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.244 -10.123 -7.330 1.00 0.00 H new ATOM 878 N ARG A 57 4.706 -8.874 -5.093 1.00 0.00 N ATOM 879 CA ARG A 57 5.414 -9.606 -4.089 1.00 0.00 C ATOM 880 C ARG A 57 4.938 -9.290 -2.675 1.00 0.00 C ATOM 881 O ARG A 57 4.815 -10.182 -1.832 1.00 0.00 O ATOM 882 CB ARG A 57 6.898 -9.349 -4.208 1.00 0.00 C ATOM 883 CG ARG A 57 7.495 -9.877 -5.497 1.00 0.00 C ATOM 884 CD ARG A 57 7.324 -11.370 -5.638 1.00 0.00 C ATOM 885 NE ARG A 57 7.945 -12.116 -4.568 1.00 0.00 N ATOM 886 CZ ARG A 57 9.202 -12.498 -4.536 1.00 0.00 C ATOM 887 NH1 ARG A 57 10.012 -12.300 -5.578 1.00 0.00 N ATOM 888 NH2 ARG A 57 9.649 -13.110 -3.470 1.00 0.00 N ATOM 0 H ARG A 57 5.287 -8.205 -5.599 1.00 0.00 H new ATOM 0 HA ARG A 57 5.206 -10.662 -4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.081 -8.276 -4.144 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.409 -9.811 -3.363 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.024 -9.378 -6.344 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.556 -9.630 -5.531 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.260 -11.606 -5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 57 7.748 -11.690 -6.590 1.00 0.00 H new ATOM 0 HE ARG A 57 7.359 -12.367 -3.771 1.00 0.00 H new ATOM 0 HH11 ARG A 57 9.658 -11.845 -6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 57 10.985 -12.604 -5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.025 -13.283 -2.682 1.00 0.00 H new ATOM 0 HH22 ARG A 57 10.622 -13.414 -3.427 1.00 0.00 H new ATOM 902 N CYS A 58 4.650 -8.027 -2.417 1.00 0.00 N ATOM 903 CA CYS A 58 4.249 -7.619 -1.085 1.00 0.00 C ATOM 904 C CYS A 58 2.853 -7.112 -1.238 1.00 0.00 C ATOM 905 O CYS A 58 2.549 -6.434 -2.216 1.00 0.00 O ATOM 906 CB CYS A 58 5.126 -6.458 -0.620 1.00 0.00 C ATOM 907 SG CYS A 58 6.939 -6.803 -0.500 1.00 0.00 S ATOM 0 H CYS A 58 4.686 -7.274 -3.104 1.00 0.00 H new ATOM 0 HA CYS A 58 4.333 -8.436 -0.369 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.981 -5.623 -1.305 1.00 0.00 H new ATOM 0 HB3 CYS A 58 4.773 -6.133 0.359 1.00 0.00 H new ATOM 912 N ARG A 59 2.001 -7.406 -0.302 1.00 0.00 N ATOM 913 CA ARG A 59 0.630 -7.050 -0.472 1.00 0.00 C ATOM 914 C ARG A 59 0.062 -6.325 0.729 1.00 0.00 C ATOM 915 O ARG A 59 0.302 -6.696 1.867 1.00 0.00 O ATOM 916 CB ARG A 59 -0.130 -8.333 -0.760 1.00 0.00 C ATOM 917 CG ARG A 59 0.278 -8.976 -2.085 1.00 0.00 C ATOM 918 CD ARG A 59 -0.396 -10.313 -2.290 1.00 0.00 C ATOM 919 NE ARG A 59 -1.865 -10.220 -2.391 1.00 0.00 N ATOM 920 CZ ARG A 59 -2.562 -10.004 -3.523 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.941 -9.768 -4.667 1.00 0.00 N ATOM 922 NH2 ARG A 59 -3.898 -10.001 -3.490 1.00 0.00 N ATOM 0 H ARG A 59 2.227 -7.883 0.571 1.00 0.00 H new ATOM 0 HA ARG A 59 0.532 -6.346 -1.299 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.041 -9.041 0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.199 -8.121 -0.778 1.00 0.00 H new ATOM 0 HG2 ARG A 59 0.020 -8.309 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.360 -9.107 -2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.005 -10.773 -3.198 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.137 -10.973 -1.462 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.399 -10.329 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.922 -9.748 -4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -2.481 -9.606 -5.517 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -4.387 -10.162 -2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -4.429 -9.838 -4.345 1.00 0.00 H new ATOM 936 N ARG A 60 -0.699 -5.303 0.429 1.00 0.00 N ATOM 937 CA ARG A 60 -1.468 -4.511 1.365 1.00 0.00 C ATOM 938 C ARG A 60 -2.759 -5.209 1.692 1.00 0.00 C ATOM 939 O ARG A 60 -3.150 -6.171 1.030 1.00 0.00 O ATOM 940 CB ARG A 60 -1.817 -3.212 0.697 1.00 0.00 C ATOM 941 CG ARG A 60 -2.621 -3.503 -0.548 1.00 0.00 C ATOM 942 CD ARG A 60 -3.054 -2.314 -1.279 1.00 0.00 C ATOM 943 NE ARG A 60 -3.787 -2.698 -2.487 1.00 0.00 N ATOM 944 CZ ARG A 60 -5.092 -2.942 -2.560 1.00 0.00 C ATOM 945 NH1 ARG A 60 -5.834 -2.965 -1.456 1.00 0.00 N ATOM 946 NH2 ARG A 60 -5.656 -3.201 -3.739 1.00 0.00 N ATOM 0 H ARG A 60 -0.807 -4.979 -0.532 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.886 -4.359 2.274 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.389 -2.581 1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -0.910 -2.664 0.441 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.024 -4.126 -1.214 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.500 -4.084 -0.270 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.688 -1.698 -0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.188 -1.709 -1.548 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.249 -2.786 -3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.402 -2.795 -0.548 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.835 -3.153 -1.518 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.087 -3.212 -4.585 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.657 -3.388 -3.795 1.00 0.00 H new ATOM 960 N LYS A 61 -3.396 -4.745 2.709 1.00 0.00 N ATOM 961 CA LYS A 61 -4.686 -5.231 3.061 1.00 0.00 C ATOM 962 C LYS A 61 -5.748 -4.366 2.396 1.00 0.00 C ATOM 963 O LYS A 61 -5.574 -3.154 2.262 1.00 0.00 O ATOM 964 CB LYS A 61 -4.886 -5.245 4.542 1.00 0.00 C ATOM 965 CG LYS A 61 -6.249 -5.754 4.927 1.00 0.00 C ATOM 966 CD LYS A 61 -6.397 -7.220 4.588 1.00 0.00 C ATOM 967 CE LYS A 61 -7.723 -7.728 5.064 1.00 0.00 C ATOM 968 NZ LYS A 61 -7.924 -9.173 4.737 1.00 0.00 N ATOM 0 H LYS A 61 -3.037 -4.015 3.324 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.772 -6.260 2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.123 -5.871 5.004 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.752 -4.237 4.934 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.407 -5.607 5.995 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.016 -5.178 4.409 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.310 -7.363 3.511 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.593 -7.791 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.798 -7.587 6.142 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.520 -7.140 4.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.854 -9.482 5.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.878 -9.305 3.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.179 -9.739 5.192 1.00 0.00 H new ATOM 982 N SER A 62 -6.788 -4.978 1.909 1.00 0.00 N ATOM 983 CA SER A 62 -7.868 -4.225 1.329 1.00 0.00 C ATOM 984 C SER A 62 -8.634 -3.466 2.420 1.00 0.00 C ATOM 985 O SER A 62 -8.870 -3.997 3.507 1.00 0.00 O ATOM 986 CB SER A 62 -8.825 -5.157 0.582 1.00 0.00 C ATOM 987 OG SER A 62 -9.870 -4.434 -0.054 1.00 0.00 O ATOM 0 H SER A 62 -6.914 -5.990 1.900 1.00 0.00 H new ATOM 0 HA SER A 62 -7.447 -3.508 0.624 1.00 0.00 H new ATOM 0 HB2 SER A 62 -8.271 -5.727 -0.163 1.00 0.00 H new ATOM 0 HB3 SER A 62 -9.252 -5.876 1.281 1.00 0.00 H new ATOM 0 HG SER A 62 -10.462 -5.059 -0.523 1.00 0.00 H new ATOM 993 N CYS A 63 -9.026 -2.247 2.111 1.00 0.00 N ATOM 994 CA CYS A 63 -9.853 -1.424 3.006 1.00 0.00 C ATOM 995 C CYS A 63 -11.328 -1.680 2.730 1.00 0.00 C ATOM 996 O CYS A 63 -11.688 -2.105 1.636 1.00 0.00 O ATOM 997 CB CYS A 63 -9.481 0.075 2.861 1.00 0.00 C ATOM 998 SG CYS A 63 -7.917 0.514 3.699 1.00 0.00 S ATOM 0 H CYS A 63 -8.786 -1.787 1.233 1.00 0.00 H new ATOM 0 HA CYS A 63 -9.658 -1.703 4.041 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.400 0.322 1.802 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.288 0.684 3.269 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.178 -1.486 3.733 1.00 0.00 N ATOM 1004 CA ARG A 64 -13.603 -1.734 3.556 1.00 0.00 C ATOM 1005 C ARG A 64 -14.354 -0.549 4.104 1.00 0.00 C ATOM 1006 O ARG A 64 -13.866 0.125 5.025 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.021 -3.053 4.257 1.00 0.00 C ATOM 1008 CG ARG A 64 -14.076 -3.028 5.783 1.00 0.00 C ATOM 1009 CD ARG A 64 -12.714 -2.853 6.423 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.813 -2.896 7.888 1.00 0.00 N ATOM 1011 CZ ARG A 64 -12.974 -1.823 8.683 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -13.275 -0.623 8.153 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -12.888 -1.955 10.011 1.00 0.00 N ATOM 0 H ARG A 64 -11.910 -1.163 4.663 1.00 0.00 H new ATOM 0 HA ARG A 64 -13.840 -1.854 2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.005 -3.340 3.885 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.325 -3.835 3.954 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.729 -2.216 6.104 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.522 -3.956 6.140 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.042 -3.638 6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.281 -1.902 6.112 1.00 0.00 H new ATOM 0 HE ARG A 64 -12.755 -3.810 8.337 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -13.382 -0.524 7.144 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -13.396 0.187 8.761 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.700 -2.870 10.421 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.010 -1.141 10.613 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.521 -0.266 3.556 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.194 0.962 3.926 1.00 0.00 C ATOM 1029 C ASN A 65 -17.649 0.796 4.427 1.00 0.00 C ATOM 1030 O ASN A 65 -18.578 1.287 3.802 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.125 1.956 2.759 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.552 3.364 3.130 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -17.231 4.034 2.367 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -16.105 3.835 4.278 1.00 0.00 N ATOM 0 H ASN A 65 -16.009 -0.849 2.875 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.655 1.347 4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.104 1.984 2.377 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.758 1.596 1.949 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.324 4.792 4.557 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -15.541 3.243 4.887 1.00 0.00 H new ATOM 1041 N PRO A 66 -17.870 0.038 5.550 1.00 0.00 N ATOM 1042 CA PRO A 66 -19.127 0.078 6.268 1.00 0.00 C ATOM 1043 C PRO A 66 -19.126 1.062 7.545 1.00 0.00 C ATOM 1044 O PRO A 66 -20.039 0.979 8.354 1.00 0.00 O ATOM 1045 CB PRO A 66 -19.327 -1.391 6.709 1.00 0.00 C ATOM 1046 CG PRO A 66 -18.011 -2.080 6.464 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.013 -1.006 6.091 1.00 0.00 C ATOM 0 HA PRO A 66 -19.925 0.474 5.640 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -19.608 -1.448 7.761 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.127 -1.864 6.140 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -17.685 -2.617 7.355 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.103 -2.815 5.665 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -16.446 -0.660 6.955 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -16.290 -1.360 5.356 1.00 0.00 H new ATOM 1055 N PRO A 67 -18.079 1.997 7.744 1.00 0.00 N ATOM 1056 CA PRO A 67 -18.067 2.977 8.852 1.00 0.00 C ATOM 1057 C PRO A 67 -18.819 4.255 8.488 1.00 0.00 C ATOM 1058 O PRO A 67 -18.680 5.283 9.155 1.00 0.00 O ATOM 1059 CB PRO A 67 -16.591 3.274 9.051 1.00 0.00 C ATOM 1060 CG PRO A 67 -15.978 3.101 7.699 1.00 0.00 C ATOM 1061 CD PRO A 67 -16.840 2.143 6.944 1.00 0.00 C ATOM 0 HA PRO A 67 -18.558 2.591 9.745 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -16.439 4.286 9.427 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -16.145 2.594 9.777 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.917 4.057 7.179 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.961 2.719 7.784 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -17.062 2.520 5.945 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.340 1.183 6.819 1.00 0.00 H new ATOM 1069 N ASP A 68 -19.507 4.180 7.351 1.00 0.00 N ATOM 1070 CA ASP A 68 -20.271 5.276 6.736 1.00 0.00 C ATOM 1071 C ASP A 68 -20.969 6.202 7.766 1.00 0.00 C ATOM 1072 O ASP A 68 -21.325 5.785 8.871 1.00 0.00 O ATOM 1073 CB ASP A 68 -21.317 4.683 5.758 1.00 0.00 C ATOM 1074 CG ASP A 68 -22.393 3.860 6.456 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -22.082 2.749 6.940 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.560 4.322 6.520 1.00 0.00 O ATOM 0 H ASP A 68 -19.553 3.319 6.806 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.556 5.903 6.203 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -21.791 5.495 5.207 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -20.807 4.056 5.027 1.00 0.00 H new ATOM 1081 N PRO A 69 -21.179 7.476 7.377 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.804 8.478 8.211 1.00 0.00 C ATOM 1083 C PRO A 69 -23.272 8.233 8.360 1.00 0.00 C ATOM 1084 O PRO A 69 -23.809 7.285 7.802 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.565 9.794 7.482 1.00 0.00 C ATOM 1086 CG PRO A 69 -21.421 9.406 6.066 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.832 8.019 6.072 1.00 0.00 C ATOM 0 HA PRO A 69 -21.390 8.471 9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -22.397 10.483 7.623 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.670 10.296 7.850 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -22.386 9.418 5.558 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.773 10.103 5.535 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.244 7.410 5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -19.752 8.047 5.929 1.00 0.00 H new ATOM 1095 N VAL A 70 -23.924 9.101 9.098 1.00 0.00 N ATOM 1096 CA VAL A 70 -25.325 8.931 9.400 1.00 0.00 C ATOM 1097 C VAL A 70 -26.172 8.931 8.118 1.00 0.00 C ATOM 1098 O VAL A 70 -27.039 8.075 7.977 1.00 0.00 O ATOM 1099 CB VAL A 70 -25.839 10.030 10.373 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -27.343 9.918 10.595 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -25.090 9.976 11.696 1.00 0.00 C ATOM 0 H VAL A 70 -23.503 9.937 9.502 1.00 0.00 H new ATOM 0 HA VAL A 70 -25.429 7.963 9.891 1.00 0.00 H new ATOM 0 HB VAL A 70 -25.645 10.998 9.911 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -27.669 10.701 11.280 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -27.861 10.030 9.642 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -27.576 8.942 11.022 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -25.467 10.754 12.360 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -25.239 9.001 12.159 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -24.026 10.135 11.519 1.00 0.00 H new ATOM 1111 N ASN A 71 -25.949 9.868 7.165 1.00 0.00 N ATOM 1112 CA ASN A 71 -26.798 9.808 5.966 1.00 0.00 C ATOM 1113 C ASN A 71 -26.111 8.947 4.861 1.00 0.00 C ATOM 1114 O ASN A 71 -26.704 8.682 3.822 1.00 0.00 O ATOM 1115 CB ASN A 71 -27.074 11.201 5.398 1.00 0.00 C ATOM 1116 CG ASN A 71 -26.053 11.632 4.393 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -24.930 11.999 4.723 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -26.462 11.558 3.126 1.00 0.00 N ATOM 0 H ASN A 71 -25.251 10.611 7.196 1.00 0.00 H new ATOM 0 HA ASN A 71 -27.744 9.356 6.264 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -28.060 11.210 4.934 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -27.100 11.922 6.215 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -25.828 11.814 2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -27.409 11.245 2.913 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.885 8.469 5.135 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.187 7.577 4.184 1.00 0.00 C ATOM 1127 C GLY A 72 -23.557 8.239 2.916 1.00 0.00 C ATOM 1128 O GLY A 72 -23.406 7.570 1.897 1.00 0.00 O ATOM 0 H GLY A 72 -24.364 8.677 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.394 7.060 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -24.894 6.817 3.852 1.00 0.00 H new ATOM 1132 N MET A 73 -23.191 9.532 2.969 1.00 0.00 N ATOM 1133 CA MET A 73 -22.626 10.230 1.753 1.00 0.00 C ATOM 1134 C MET A 73 -21.292 9.701 1.257 1.00 0.00 C ATOM 1135 O MET A 73 -21.090 9.652 0.047 1.00 0.00 O ATOM 1136 CB MET A 73 -22.534 11.762 1.872 1.00 0.00 C ATOM 1137 CG MET A 73 -23.856 12.452 1.864 1.00 0.00 C ATOM 1138 SD MET A 73 -23.728 14.240 1.964 1.00 0.00 S ATOM 1139 CE MET A 73 -25.445 14.665 2.220 1.00 0.00 C ATOM 0 H MET A 73 -23.264 10.117 3.802 1.00 0.00 H new ATOM 0 HA MET A 73 -23.383 9.982 1.009 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.010 12.014 2.794 1.00 0.00 H new ATOM 0 HB3 MET A 73 -21.931 12.144 1.048 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.392 12.184 0.953 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.451 12.090 2.702 1.00 0.00 H new ATOM 0 HE1 MET A 73 -25.612 15.700 1.921 1.00 0.00 H new ATOM 0 HE2 MET A 73 -26.076 14.008 1.621 1.00 0.00 H new ATOM 0 HE3 MET A 73 -25.696 14.547 3.274 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.400 9.340 2.197 1.00 0.00 N ATOM 1150 CA VAL A 74 -18.954 9.014 1.926 1.00 0.00 C ATOM 1151 C VAL A 74 -18.534 9.177 0.463 1.00 0.00 C ATOM 1152 O VAL A 74 -18.851 8.355 -0.406 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.573 7.566 2.361 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -17.144 7.200 1.933 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -18.716 7.397 3.839 1.00 0.00 C ATOM 0 H VAL A 74 -20.648 9.260 3.183 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.419 9.749 2.528 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.264 6.890 1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -16.917 6.184 2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -17.061 7.264 0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -16.438 7.892 2.392 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -18.444 6.379 4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -18.059 8.100 4.351 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -19.749 7.589 4.129 1.00 0.00 H new ATOM 1165 N HIS A 75 -17.783 10.225 0.217 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.235 10.452 -1.096 1.00 0.00 C ATOM 1167 C HIS A 75 -15.930 9.714 -1.121 1.00 0.00 C ATOM 1168 O HIS A 75 -15.016 10.043 -0.356 1.00 0.00 O ATOM 1169 CB HIS A 75 -16.949 11.953 -1.304 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.161 12.845 -1.319 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -18.779 13.280 -2.473 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -18.889 13.343 -0.302 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -19.830 14.007 -2.159 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -19.920 14.062 -0.846 1.00 0.00 N ATOM 0 H HIS A 75 -17.539 10.933 0.910 1.00 0.00 H new ATOM 0 HA HIS A 75 -17.925 10.121 -1.872 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.280 12.291 -0.513 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.416 12.077 -2.247 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -18.695 13.201 0.751 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.504 14.478 -2.859 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -20.640 14.559 -0.321 1.00 0.00 H new ATOM 1182 N VAL A 76 -15.808 8.758 -1.991 1.00 0.00 N ATOM 1183 CA VAL A 76 -14.607 7.961 -2.011 1.00 0.00 C ATOM 1184 C VAL A 76 -13.709 8.356 -3.194 1.00 0.00 C ATOM 1185 O VAL A 76 -13.978 8.035 -4.347 1.00 0.00 O ATOM 1186 CB VAL A 76 -14.993 6.442 -2.073 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -16.059 6.170 -3.139 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -13.791 5.594 -2.328 1.00 0.00 C ATOM 0 H VAL A 76 -16.509 8.509 -2.688 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.039 8.143 -1.099 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.411 6.180 -1.101 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.299 5.107 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -16.958 6.742 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -15.680 6.467 -4.117 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -14.087 4.546 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.340 5.879 -3.279 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.067 5.738 -1.526 1.00 0.00 H new ATOM 1198 N ILE A 77 -12.643 9.103 -2.864 1.00 0.00 N ATOM 1199 CA ILE A 77 -11.712 9.627 -3.871 1.00 0.00 C ATOM 1200 C ILE A 77 -10.945 8.533 -4.657 1.00 0.00 C ATOM 1201 O ILE A 77 -10.889 8.548 -5.878 1.00 0.00 O ATOM 1202 CB ILE A 77 -10.622 10.498 -3.172 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.244 11.643 -2.358 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -9.647 11.057 -4.198 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.231 12.382 -1.487 1.00 0.00 C ATOM 0 H ILE A 77 -12.406 9.357 -1.905 1.00 0.00 H new ATOM 0 HA ILE A 77 -12.334 10.188 -4.568 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.082 9.851 -2.481 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -11.712 12.352 -3.040 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.034 11.241 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.894 11.662 -3.693 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.160 10.235 -4.723 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.188 11.675 -4.915 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.735 13.178 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -9.780 11.684 -0.781 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.454 12.812 -2.118 1.00 0.00 H new ATOM 1217 N LYS A 78 -10.387 7.572 -3.905 1.00 0.00 N ATOM 1218 CA LYS A 78 -9.488 6.545 -4.479 1.00 0.00 C ATOM 1219 C LYS A 78 -10.128 5.176 -4.760 1.00 0.00 C ATOM 1220 O LYS A 78 -9.508 4.327 -5.388 1.00 0.00 O ATOM 1221 CB LYS A 78 -8.250 6.404 -3.611 1.00 0.00 C ATOM 1222 CG LYS A 78 -7.446 7.694 -3.514 1.00 0.00 C ATOM 1223 CD LYS A 78 -6.867 8.105 -4.861 1.00 0.00 C ATOM 1224 CE LYS A 78 -6.088 9.399 -4.744 1.00 0.00 C ATOM 1225 NZ LYS A 78 -5.487 9.813 -6.041 1.00 0.00 N ATOM 0 H LYS A 78 -10.539 7.480 -2.901 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.222 6.915 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.547 6.091 -2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.616 5.616 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.084 8.492 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.637 7.564 -2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -6.215 7.316 -5.237 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.672 8.225 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.749 10.187 -4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -5.299 9.280 -4.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.964 10.703 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.836 9.073 -6.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.241 9.953 -6.744 1.00 0.00 H new ATOM 1239 N GLY A 79 -11.346 4.975 -4.319 1.00 0.00 N ATOM 1240 CA GLY A 79 -12.009 3.676 -4.521 1.00 0.00 C ATOM 1241 C GLY A 79 -11.946 2.709 -3.329 1.00 0.00 C ATOM 1242 O GLY A 79 -12.365 1.572 -3.460 1.00 0.00 O ATOM 0 H GLY A 79 -11.904 5.671 -3.824 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.056 3.856 -4.765 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.559 3.189 -5.386 1.00 0.00 H new ATOM 1246 N ILE A 80 -11.372 3.149 -2.195 1.00 0.00 N ATOM 1247 CA ILE A 80 -11.355 2.341 -0.929 1.00 0.00 C ATOM 1248 C ILE A 80 -10.143 1.432 -0.818 1.00 0.00 C ATOM 1249 O ILE A 80 -10.199 0.253 -1.147 1.00 0.00 O ATOM 1250 CB ILE A 80 -12.677 1.543 -0.647 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -13.888 2.481 -0.537 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -12.555 0.718 0.635 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -13.785 3.488 0.608 1.00 0.00 C ATOM 0 H ILE A 80 -10.911 4.055 -2.114 1.00 0.00 H new ATOM 0 HA ILE A 80 -11.281 3.096 -0.146 1.00 0.00 H new ATOM 0 HB ILE A 80 -12.831 0.872 -1.492 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -14.003 3.023 -1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -14.789 1.882 -0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -13.484 0.175 0.808 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.733 0.009 0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.361 1.382 1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -14.676 4.115 0.622 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -13.702 2.955 1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -12.904 4.113 0.465 1.00 0.00 H new ATOM 1265 N GLN A 81 -9.042 1.990 -0.420 1.00 0.00 N ATOM 1266 CA GLN A 81 -7.798 1.238 -0.281 1.00 0.00 C ATOM 1267 C GLN A 81 -6.891 1.821 0.834 1.00 0.00 C ATOM 1268 O GLN A 81 -7.138 2.911 1.346 1.00 0.00 O ATOM 1269 CB GLN A 81 -6.984 1.274 -1.569 1.00 0.00 C ATOM 1270 CG GLN A 81 -5.731 0.460 -1.441 1.00 0.00 C ATOM 1271 CD GLN A 81 -4.811 0.483 -2.588 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -3.550 0.353 -2.240 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -5.186 0.677 -3.733 1.00 0.00 N flip ATOM 0 H GLN A 81 -8.963 2.978 -0.178 1.00 0.00 H new ATOM 0 HA GLN A 81 -8.096 0.219 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -7.586 0.893 -2.394 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -6.728 2.305 -1.812 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.188 0.806 -0.562 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.015 -0.575 -1.253 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -6.182 0.769 -3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -4.504 0.747 -4.488 1.00 0.00 H new ATOM 1282 N PHE A 82 -5.839 1.071 1.184 1.00 0.00 N ATOM 1283 CA PHE A 82 -4.782 1.587 1.994 1.00 0.00 C ATOM 1284 C PHE A 82 -4.160 2.775 1.291 1.00 0.00 C ATOM 1285 O PHE A 82 -3.771 2.700 0.131 1.00 0.00 O ATOM 1286 CB PHE A 82 -3.726 0.473 2.144 1.00 0.00 C ATOM 1287 CG PHE A 82 -2.408 0.956 2.693 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -2.335 1.734 3.834 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -1.225 0.645 2.011 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.119 2.209 4.284 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.010 1.110 2.472 1.00 0.00 C ATOM 1292 CZ PHE A 82 0.041 1.894 3.599 1.00 0.00 C ATOM 0 H PHE A 82 -5.717 0.098 0.905 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.153 1.899 2.970 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.120 -0.303 2.800 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.557 0.012 1.171 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.237 1.972 4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -1.264 0.038 1.119 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.074 2.826 5.170 1.00 0.00 H new ATOM 0 HE2 PHE A 82 0.900 0.858 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.991 2.266 3.952 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.090 3.876 2.019 1.00 0.00 N ATOM 1303 CA GLY A 83 -3.572 5.108 1.490 1.00 0.00 C ATOM 1304 C GLY A 83 -4.667 5.982 0.883 1.00 0.00 C ATOM 1305 O GLY A 83 -4.437 7.146 0.561 1.00 0.00 O ATOM 0 H GLY A 83 -4.392 3.932 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.069 5.659 2.284 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -2.822 4.888 0.730 1.00 0.00 H new ATOM 1309 N SER A 84 -5.860 5.408 0.715 1.00 0.00 N ATOM 1310 CA SER A 84 -6.996 6.151 0.181 1.00 0.00 C ATOM 1311 C SER A 84 -7.578 7.110 1.215 1.00 0.00 C ATOM 1312 O SER A 84 -7.523 6.851 2.421 1.00 0.00 O ATOM 1313 CB SER A 84 -8.072 5.207 -0.304 1.00 0.00 C ATOM 1314 OG SER A 84 -7.591 4.400 -1.347 1.00 0.00 O ATOM 0 H SER A 84 -6.061 4.434 0.941 1.00 0.00 H new ATOM 0 HA SER A 84 -6.630 6.739 -0.660 1.00 0.00 H new ATOM 0 HB2 SER A 84 -8.411 4.580 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.935 5.777 -0.647 1.00 0.00 H new ATOM 0 HG SER A 84 -8.341 4.100 -1.901 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.127 8.203 0.743 1.00 0.00 N ATOM 1321 CA GLN A 85 -8.791 9.150 1.604 1.00 0.00 C ATOM 1322 C GLN A 85 -10.218 9.374 1.120 1.00 0.00 C ATOM 1323 O GLN A 85 -10.472 9.496 -0.080 1.00 0.00 O ATOM 1324 CB GLN A 85 -8.032 10.453 1.666 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.660 11.473 2.592 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.783 12.699 2.735 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.594 12.648 2.445 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -8.329 13.788 3.238 1.00 0.00 N ATOM 0 H GLN A 85 -8.126 8.460 -0.244 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.822 8.741 2.614 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.012 10.255 1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -7.968 10.875 0.663 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.637 11.765 2.206 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.825 11.025 3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.322 13.800 3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.758 14.619 3.396 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.132 9.389 2.053 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.562 9.512 1.774 1.00 0.00 C ATOM 1339 C ILE A 86 -13.172 10.620 2.581 1.00 0.00 C ATOM 1340 O ILE A 86 -12.587 11.063 3.549 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.264 8.197 2.102 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.075 7.873 3.582 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -12.722 7.090 1.231 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.839 6.673 4.045 1.00 0.00 C ATOM 0 H ILE A 86 -10.914 9.316 3.047 1.00 0.00 H new ATOM 0 HA ILE A 86 -12.687 9.744 0.716 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.331 8.292 1.901 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.014 7.713 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.380 8.736 4.174 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.229 6.156 1.472 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.893 7.335 0.183 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -11.652 6.978 1.408 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.652 6.510 5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.905 6.836 3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.518 5.797 3.481 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.334 11.088 2.173 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.980 12.178 2.885 1.00 0.00 C ATOM 1358 C LYS A 87 -16.197 11.676 3.622 1.00 0.00 C ATOM 1359 O LYS A 87 -16.941 10.844 3.124 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.394 13.275 1.902 1.00 0.00 C ATOM 1361 CG LYS A 87 -14.321 14.322 1.578 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.959 13.686 1.326 1.00 0.00 C ATOM 1363 CE LYS A 87 -12.007 14.652 0.646 1.00 0.00 C ATOM 1364 NZ LYS A 87 -10.597 14.499 1.110 1.00 0.00 N ATOM 0 H LYS A 87 -14.847 10.738 1.364 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.272 12.587 3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.707 12.803 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.266 13.789 2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.624 14.891 0.699 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -14.244 15.029 2.404 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.530 13.357 2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.081 12.798 0.706 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.048 14.497 -0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.338 15.673 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.962 15.017 0.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.505 14.882 2.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.340 13.491 1.113 1.00 0.00 H new ATOM 1378 N TYR A 88 -16.391 12.218 4.775 1.00 0.00 N ATOM 1379 CA TYR A 88 -17.481 11.894 5.660 1.00 0.00 C ATOM 1380 C TYR A 88 -18.514 12.966 5.729 1.00 0.00 C ATOM 1381 O TYR A 88 -19.026 13.270 6.804 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.948 11.534 7.049 1.00 0.00 C ATOM 1383 CG TYR A 88 -16.576 10.094 7.151 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -17.572 9.143 7.292 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -15.260 9.668 7.090 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -17.280 7.813 7.377 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.951 8.323 7.173 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.970 7.402 7.318 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.675 6.069 7.416 1.00 0.00 O ATOM 0 H TYR A 88 -15.771 12.934 5.153 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.987 11.023 5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -16.077 12.150 7.273 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.704 11.767 7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -18.603 9.461 7.336 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.468 10.393 6.977 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -18.073 7.088 7.490 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.923 7.996 7.125 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.705 5.943 7.355 1.00 0.00 H new ATOM 1399 N SER A 89 -18.854 13.532 4.583 1.00 0.00 N ATOM 1400 CA SER A 89 -19.806 14.589 4.592 1.00 0.00 C ATOM 1401 C SER A 89 -21.187 14.072 5.049 1.00 0.00 C ATOM 1402 O SER A 89 -21.716 13.082 4.544 1.00 0.00 O ATOM 1403 CB SER A 89 -19.910 15.166 3.168 1.00 0.00 C ATOM 1404 OG SER A 89 -18.615 15.381 2.600 1.00 0.00 O ATOM 0 H SER A 89 -18.488 13.275 3.667 1.00 0.00 H new ATOM 0 HA SER A 89 -19.484 15.362 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 89 -20.478 14.483 2.537 1.00 0.00 H new ATOM 0 HB3 SER A 89 -20.459 16.107 3.194 1.00 0.00 H new ATOM 0 HG SER A 89 -18.711 15.746 1.696 1.00 0.00 H new ATOM 1410 N CYS A 90 -21.727 14.787 6.003 1.00 0.00 N ATOM 1411 CA CYS A 90 -23.077 14.604 6.539 1.00 0.00 C ATOM 1412 C CYS A 90 -24.079 15.295 5.630 1.00 0.00 C ATOM 1413 O CYS A 90 -25.230 14.894 5.486 1.00 0.00 O ATOM 1414 CB CYS A 90 -23.076 15.267 7.926 1.00 0.00 C ATOM 1415 SG CYS A 90 -21.749 14.683 9.025 1.00 0.00 S ATOM 0 H CYS A 90 -21.225 15.551 6.456 1.00 0.00 H new ATOM 0 HA CYS A 90 -23.351 13.551 6.604 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -22.982 16.346 7.802 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -24.038 15.084 8.405 1.00 0.00 H new ATOM 1420 N THR A 91 -23.617 16.384 5.105 1.00 0.00 N ATOM 1421 CA THR A 91 -24.358 17.271 4.265 1.00 0.00 C ATOM 1422 C THR A 91 -23.419 17.927 3.236 1.00 0.00 C ATOM 1423 O THR A 91 -22.229 18.004 3.469 1.00 0.00 O ATOM 1424 CB THR A 91 -25.052 18.302 5.174 1.00 0.00 C ATOM 1425 OG1 THR A 91 -26.127 17.668 5.859 1.00 0.00 O ATOM 1426 CG2 THR A 91 -25.532 19.542 4.451 1.00 0.00 C ATOM 0 H THR A 91 -22.658 16.696 5.259 1.00 0.00 H new ATOM 0 HA THR A 91 -25.118 16.739 3.693 1.00 0.00 H new ATOM 0 HB THR A 91 -24.303 18.658 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 91 -26.894 18.277 5.899 1.00 0.00 H new ATOM 0 HG21 THR A 91 -26.009 20.216 5.162 1.00 0.00 H new ATOM 0 HG22 THR A 91 -24.683 20.045 3.988 1.00 0.00 H new ATOM 0 HG23 THR A 91 -26.250 19.259 3.682 1.00 0.00 H new ATOM 1434 N LYS A 92 -23.937 18.349 2.097 1.00 0.00 N ATOM 1435 CA LYS A 92 -23.125 19.046 1.133 1.00 0.00 C ATOM 1436 C LYS A 92 -22.584 20.365 1.688 1.00 0.00 C ATOM 1437 O LYS A 92 -21.395 20.669 1.549 1.00 0.00 O ATOM 1438 CB LYS A 92 -23.911 19.276 -0.154 1.00 0.00 C ATOM 1439 CG LYS A 92 -23.099 19.972 -1.208 1.00 0.00 C ATOM 1440 CD LYS A 92 -21.943 19.125 -1.657 1.00 0.00 C ATOM 1441 CE LYS A 92 -21.217 19.782 -2.789 1.00 0.00 C ATOM 1442 NZ LYS A 92 -20.048 18.986 -3.258 1.00 0.00 N ATOM 0 H LYS A 92 -24.911 18.219 1.823 1.00 0.00 H new ATOM 0 HA LYS A 92 -22.263 18.417 0.909 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -24.257 18.317 -0.541 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -24.798 19.869 0.067 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -23.734 20.207 -2.063 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -22.728 20.919 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -21.259 18.963 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -22.303 18.145 -1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -21.907 19.932 -3.620 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -20.877 20.769 -2.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -19.581 19.485 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -19.375 18.864 -2.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -20.372 18.053 -3.585 1.00 0.00 H new ATOM 1456 N GLY A 93 -23.449 21.132 2.333 1.00 0.00 N ATOM 1457 CA GLY A 93 -23.026 22.400 2.883 1.00 0.00 C ATOM 1458 C GLY A 93 -23.000 22.416 4.414 1.00 0.00 C ATOM 1459 O GLY A 93 -23.838 23.040 5.047 1.00 0.00 O ATOM 0 H GLY A 93 -24.431 20.900 2.484 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -22.031 22.638 2.507 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -23.696 23.184 2.529 1.00 0.00 H new ATOM 1463 N TYR A 94 -22.035 21.728 4.985 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.885 21.625 6.447 1.00 0.00 C ATOM 1465 C TYR A 94 -20.401 21.427 6.684 1.00 0.00 C ATOM 1466 O TYR A 94 -19.647 21.259 5.716 1.00 0.00 O ATOM 1467 CB TYR A 94 -22.615 20.395 7.049 1.00 0.00 C ATOM 1468 CG TYR A 94 -21.768 19.161 7.066 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -21.170 18.688 5.923 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -21.462 18.551 8.273 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -20.316 17.629 5.960 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -20.586 17.494 8.325 1.00 0.00 C ATOM 1473 CZ TYR A 94 -20.017 17.034 7.156 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.138 16.000 7.179 1.00 0.00 O ATOM 0 H TYR A 94 -21.324 21.218 4.461 1.00 0.00 H new ATOM 0 HA TYR A 94 -22.309 22.514 6.914 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.928 20.628 8.067 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -23.520 20.200 6.474 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -21.382 19.165 4.978 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -21.918 18.911 9.183 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.875 17.258 5.047 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -20.346 17.029 9.270 1.00 0.00 H new ATOM 0 HH TYR A 94 -18.297 16.276 6.759 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.964 21.475 7.900 1.00 0.00 N ATOM 1485 CA ARG A 95 -18.601 21.142 8.157 1.00 0.00 C ATOM 1486 C ARG A 95 -18.546 20.106 9.240 1.00 0.00 C ATOM 1487 O ARG A 95 -19.431 20.022 10.074 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.755 22.361 8.505 1.00 0.00 C ATOM 1489 CG ARG A 95 -18.160 23.114 9.749 1.00 0.00 C ATOM 1490 CD ARG A 95 -17.238 24.316 9.962 1.00 0.00 C ATOM 1491 NE ARG A 95 -15.856 23.907 10.260 1.00 0.00 N ATOM 1492 CZ ARG A 95 -15.413 23.600 11.474 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -16.191 23.786 12.521 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -14.171 23.152 11.647 1.00 0.00 N ATOM 0 H ARG A 95 -20.517 21.736 8.716 1.00 0.00 H new ATOM 0 HA ARG A 95 -18.169 20.735 7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -16.720 22.039 8.620 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -17.783 23.051 7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -19.193 23.450 9.659 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -18.114 22.453 10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -17.246 24.941 9.069 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -17.620 24.925 10.781 1.00 0.00 H new ATOM 0 HE ARG A 95 -15.196 23.856 9.484 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -17.130 24.165 12.398 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.854 23.551 13.455 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -13.552 23.042 10.844 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -13.839 22.919 12.583 1.00 0.00 H new ATOM 1508 N LEU A 96 -17.558 19.276 9.179 1.00 0.00 N ATOM 1509 CA LEU A 96 -17.413 18.226 10.149 1.00 0.00 C ATOM 1510 C LEU A 96 -16.248 18.566 11.070 1.00 0.00 C ATOM 1511 O LEU A 96 -15.153 18.872 10.623 1.00 0.00 O ATOM 1512 CB LEU A 96 -17.209 16.888 9.425 1.00 0.00 C ATOM 1513 CG LEU A 96 -17.299 15.643 10.282 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -17.693 14.453 9.441 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -16.022 15.390 10.993 1.00 0.00 C ATOM 0 H LEU A 96 -16.831 19.300 8.464 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.311 18.133 10.760 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.952 16.812 8.631 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.230 16.904 8.946 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.070 15.803 11.035 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.753 13.566 10.071 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -18.664 14.638 8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -16.947 14.295 8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.116 14.490 11.601 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.221 15.255 10.266 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -15.789 16.239 11.636 1.00 0.00 H new ATOM 1527 N ILE A 97 -16.534 18.581 12.353 1.00 0.00 N ATOM 1528 CA ILE A 97 -15.581 19.022 13.364 1.00 0.00 C ATOM 1529 C ILE A 97 -14.329 18.135 13.471 1.00 0.00 C ATOM 1530 O ILE A 97 -13.208 18.636 13.540 1.00 0.00 O ATOM 1531 CB ILE A 97 -16.254 19.069 14.740 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -17.529 19.924 14.671 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -15.299 19.599 15.802 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -17.301 21.350 14.234 1.00 0.00 C ATOM 0 H ILE A 97 -17.435 18.288 12.732 1.00 0.00 H new ATOM 0 HA ILE A 97 -15.256 20.012 13.044 1.00 0.00 H new ATOM 0 HB ILE A 97 -16.529 18.054 15.026 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -18.230 19.454 13.982 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -18.002 19.929 15.653 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -15.804 19.621 16.767 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -14.426 18.949 15.864 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -14.982 20.607 15.536 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -18.253 21.881 14.213 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -16.627 21.842 14.935 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -16.859 21.359 13.238 1.00 0.00 H new ATOM 1546 N GLY A 98 -14.532 16.822 13.484 1.00 0.00 N ATOM 1547 CA GLY A 98 -13.416 15.903 13.606 1.00 0.00 C ATOM 1548 C GLY A 98 -12.922 15.401 12.288 1.00 0.00 C ATOM 1549 O GLY A 98 -12.529 16.184 11.420 1.00 0.00 O ATOM 0 H GLY A 98 -15.448 16.379 13.412 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.599 16.401 14.128 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.717 15.055 14.221 1.00 0.00 H new ATOM 1553 N SER A 99 -12.899 14.086 12.127 1.00 0.00 N ATOM 1554 CA SER A 99 -12.434 13.524 10.884 1.00 0.00 C ATOM 1555 C SER A 99 -13.493 13.675 9.778 1.00 0.00 C ATOM 1556 O SER A 99 -14.367 12.818 9.602 1.00 0.00 O ATOM 1557 CB SER A 99 -12.093 12.050 11.072 1.00 0.00 C ATOM 1558 OG SER A 99 -11.716 11.442 9.865 1.00 0.00 O ATOM 0 H SER A 99 -13.192 13.407 12.830 1.00 0.00 H new ATOM 0 HA SER A 99 -11.539 14.068 10.581 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.283 11.954 11.795 1.00 0.00 H new ATOM 0 HB3 SER A 99 -12.955 11.528 11.488 1.00 0.00 H new ATOM 0 HG SER A 99 -11.278 12.103 9.289 1.00 0.00 H new ATOM 1564 N SER A 100 -13.409 14.802 9.085 1.00 0.00 N ATOM 1565 CA SER A 100 -14.171 15.085 7.897 1.00 0.00 C ATOM 1566 C SER A 100 -13.825 14.074 6.853 1.00 0.00 C ATOM 1567 O SER A 100 -14.661 13.649 6.066 1.00 0.00 O ATOM 1568 CB SER A 100 -13.915 16.498 7.414 1.00 0.00 C ATOM 1569 OG SER A 100 -14.120 17.426 8.468 1.00 0.00 O ATOM 0 H SER A 100 -12.785 15.564 9.351 1.00 0.00 H new ATOM 0 HA SER A 100 -15.236 15.017 8.117 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.895 16.582 7.040 1.00 0.00 H new ATOM 0 HB3 SER A 100 -14.579 16.731 6.582 1.00 0.00 H new ATOM 0 HG SER A 100 -13.950 18.334 8.142 1.00 0.00 H new ATOM 1575 N SER A 101 -12.563 13.722 6.820 1.00 0.00 N ATOM 1576 CA SER A 101 -12.129 12.716 5.927 1.00 0.00 C ATOM 1577 C SER A 101 -11.261 11.737 6.686 1.00 0.00 C ATOM 1578 O SER A 101 -10.490 12.131 7.561 1.00 0.00 O ATOM 1579 CB SER A 101 -11.334 13.392 4.792 1.00 0.00 C ATOM 1580 OG SER A 101 -10.330 14.254 5.305 1.00 0.00 O ATOM 0 H SER A 101 -11.832 14.125 7.406 1.00 0.00 H new ATOM 0 HA SER A 101 -12.972 12.174 5.499 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.874 12.629 4.163 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.014 13.960 4.158 1.00 0.00 H new ATOM 0 HG SER A 101 -10.288 15.068 4.760 1.00 0.00 H new ATOM 1586 N ALA A 102 -11.336 10.482 6.298 1.00 0.00 N ATOM 1587 CA ALA A 102 -10.601 9.422 6.946 1.00 0.00 C ATOM 1588 C ALA A 102 -9.566 8.895 5.997 1.00 0.00 C ATOM 1589 O ALA A 102 -9.774 8.900 4.774 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.537 8.291 7.364 1.00 0.00 C ATOM 0 H ALA A 102 -11.914 10.168 5.518 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.122 9.819 7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.961 7.503 7.850 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.285 8.675 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -12.034 7.886 6.483 1.00 0.00 H new ATOM 1596 N THR A 103 -8.463 8.474 6.531 1.00 0.00 N ATOM 1597 CA THR A 103 -7.371 7.990 5.740 1.00 0.00 C ATOM 1598 C THR A 103 -7.038 6.550 6.152 1.00 0.00 C ATOM 1599 O THR A 103 -6.915 6.265 7.345 1.00 0.00 O ATOM 1600 CB THR A 103 -6.132 8.864 5.987 1.00 0.00 C ATOM 1601 OG1 THR A 103 -6.450 10.242 5.701 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.997 8.442 5.068 1.00 0.00 C ATOM 0 H THR A 103 -8.292 8.456 7.536 1.00 0.00 H new ATOM 0 HA THR A 103 -7.651 8.024 4.687 1.00 0.00 H new ATOM 0 HB THR A 103 -5.829 8.747 7.028 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.660 10.800 5.860 1.00 0.00 H new ATOM 0 HG21 THR A 103 -4.126 9.070 5.254 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.741 7.400 5.260 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.309 8.553 4.030 1.00 0.00 H new ATOM 1610 N CYS A 104 -6.925 5.649 5.181 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.570 4.259 5.488 1.00 0.00 C ATOM 1612 C CYS A 104 -5.084 4.075 5.687 1.00 0.00 C ATOM 1613 O CYS A 104 -4.276 4.420 4.825 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.087 3.301 4.390 1.00 0.00 C ATOM 1615 SG CYS A 104 -8.384 2.108 4.888 1.00 0.00 S ATOM 0 H CYS A 104 -7.070 5.846 4.191 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.058 4.012 6.431 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -7.475 3.903 3.568 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -6.238 2.739 4.001 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.742 3.510 6.855 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.358 3.266 7.257 1.00 0.00 C ATOM 1622 C ILE A 105 -3.155 1.822 7.731 1.00 0.00 C ATOM 1623 O ILE A 105 -4.118 1.130 8.063 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.847 4.244 8.362 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.623 4.085 9.703 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.894 5.674 7.859 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.997 4.705 9.729 1.00 0.00 C ATOM 0 H ILE A 105 -5.427 3.209 7.548 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.768 3.446 6.358 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.811 3.984 8.578 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.718 3.022 9.925 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.028 4.526 10.503 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.535 6.346 8.639 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.261 5.771 6.977 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.920 5.935 7.599 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -5.453 4.539 10.705 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.916 5.776 9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.617 4.249 8.957 1.00 0.00 H new ATOM 1639 N ILE A 106 -1.905 1.394 7.767 1.00 0.00 N ATOM 1640 CA ILE A 106 -1.557 0.043 8.194 1.00 0.00 C ATOM 1641 C ILE A 106 -1.466 -0.073 9.723 1.00 0.00 C ATOM 1642 O ILE A 106 -0.767 0.708 10.380 1.00 0.00 O ATOM 1643 CB ILE A 106 -0.167 -0.362 7.629 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -0.152 -0.372 6.106 1.00 0.00 C ATOM 1645 CG2 ILE A 106 0.265 -1.693 8.180 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -1.120 -1.346 5.507 1.00 0.00 C ATOM 0 H ILE A 106 -1.104 1.967 7.503 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.347 -0.608 7.819 1.00 0.00 H new ATOM 0 HB ILE A 106 0.549 0.394 7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -0.383 0.629 5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 106 0.854 -0.613 5.762 1.00 0.00 H new ATOM 0 HG21 ILE A 106 1.240 -1.957 7.771 1.00 0.00 H new ATOM 0 HG22 ILE A 106 0.331 -1.633 9.266 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.463 -2.455 7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -1.056 -1.300 4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.877 -2.354 5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -2.132 -1.093 5.822 1.00 0.00 H new ATOM 1658 N SER A 107 -2.197 -1.038 10.278 1.00 0.00 N ATOM 1659 CA SER A 107 -2.112 -1.355 11.703 1.00 0.00 C ATOM 1660 C SER A 107 -1.015 -2.397 11.924 1.00 0.00 C ATOM 1661 O SER A 107 -0.560 -2.638 13.048 1.00 0.00 O ATOM 1662 CB SER A 107 -3.447 -1.924 12.168 1.00 0.00 C ATOM 1663 OG SER A 107 -3.707 -3.184 11.557 1.00 0.00 O ATOM 0 H SER A 107 -2.858 -1.617 9.760 1.00 0.00 H new ATOM 0 HA SER A 107 -1.879 -0.453 12.268 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.440 -2.036 13.252 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.248 -1.226 11.925 1.00 0.00 H new ATOM 0 HG SER A 107 -3.758 -3.072 10.585 1.00 0.00 H new ATOM 1669 N GLY A 108 -0.607 -2.991 10.823 1.00 0.00 N ATOM 1670 CA GLY A 108 0.357 -4.056 10.815 1.00 0.00 C ATOM 1671 C GLY A 108 -0.232 -5.266 10.120 1.00 0.00 C ATOM 1672 O GLY A 108 0.135 -5.586 8.985 1.00 0.00 O ATOM 0 H GLY A 108 -0.946 -2.738 9.895 1.00 0.00 H new ATOM 0 HA2 GLY A 108 1.264 -3.735 10.303 1.00 0.00 H new ATOM 0 HA3 GLY A 108 0.640 -4.312 11.836 1.00 0.00 H new ATOM 1676 N ASP A 109 -1.146 -5.941 10.810 1.00 0.00 N ATOM 1677 CA ASP A 109 -1.909 -7.062 10.236 1.00 0.00 C ATOM 1678 C ASP A 109 -2.822 -6.616 9.081 1.00 0.00 C ATOM 1679 O ASP A 109 -2.950 -7.302 8.057 1.00 0.00 O ATOM 1680 CB ASP A 109 -2.753 -7.743 11.334 1.00 0.00 C ATOM 1681 CG ASP A 109 -3.614 -8.893 10.810 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -3.054 -9.948 10.433 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -4.856 -8.744 10.797 1.00 0.00 O ATOM 0 H ASP A 109 -1.384 -5.733 11.780 1.00 0.00 H new ATOM 0 HA ASP A 109 -1.187 -7.770 9.829 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -2.089 -8.121 12.111 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -3.398 -6.999 11.800 1.00 0.00 H new ATOM 1688 N THR A 110 -3.442 -5.459 9.262 1.00 0.00 N ATOM 1689 CA THR A 110 -4.497 -5.000 8.378 1.00 0.00 C ATOM 1690 C THR A 110 -4.450 -3.471 8.142 1.00 0.00 C ATOM 1691 O THR A 110 -3.543 -2.777 8.615 1.00 0.00 O ATOM 1692 CB THR A 110 -5.889 -5.435 8.923 1.00 0.00 C ATOM 1693 OG1 THR A 110 -6.929 -5.142 7.973 1.00 0.00 O ATOM 1694 CG2 THR A 110 -6.201 -4.756 10.256 1.00 0.00 C ATOM 0 H THR A 110 -3.227 -4.816 10.024 1.00 0.00 H new ATOM 0 HA THR A 110 -4.333 -5.471 7.409 1.00 0.00 H new ATOM 0 HB THR A 110 -5.851 -6.512 9.083 1.00 0.00 H new ATOM 0 HG1 THR A 110 -7.794 -5.426 8.337 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.180 -5.081 10.610 1.00 0.00 H new ATOM 0 HG22 THR A 110 -5.442 -5.028 10.989 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.205 -3.674 10.121 1.00 0.00 H new ATOM 1702 N VAL A 111 -5.431 -2.977 7.394 1.00 0.00 N ATOM 1703 CA VAL A 111 -5.563 -1.558 7.063 1.00 0.00 C ATOM 1704 C VAL A 111 -6.852 -0.995 7.711 1.00 0.00 C ATOM 1705 O VAL A 111 -7.916 -1.610 7.648 1.00 0.00 O ATOM 1706 CB VAL A 111 -5.672 -1.334 5.520 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -4.374 -1.638 4.798 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -6.781 -2.172 4.937 1.00 0.00 C ATOM 0 H VAL A 111 -6.168 -3.557 6.994 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.674 -1.051 7.438 1.00 0.00 H new ATOM 0 HB VAL A 111 -5.895 -0.277 5.374 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.503 -1.467 3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.586 -0.988 5.177 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.098 -2.679 4.968 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -6.840 -2.001 3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -6.578 -3.226 5.126 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -7.728 -1.896 5.401 1.00 0.00 H new ATOM 1718 N ILE A 112 -6.729 0.136 8.391 1.00 0.00 N ATOM 1719 CA ILE A 112 -7.875 0.762 9.039 1.00 0.00 C ATOM 1720 C ILE A 112 -7.977 2.221 8.652 1.00 0.00 C ATOM 1721 O ILE A 112 -7.023 2.802 8.153 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.855 0.693 10.599 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -6.683 1.504 11.192 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -7.830 -0.749 11.090 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -5.369 0.771 11.262 1.00 0.00 C ATOM 0 H ILE A 112 -5.849 0.639 8.509 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.732 0.187 8.689 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.779 1.150 10.953 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.547 2.406 10.595 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.956 1.825 12.197 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.816 -0.762 12.180 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.717 -1.271 10.732 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -6.938 -1.247 10.710 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -4.610 1.425 11.692 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -5.480 -0.116 11.886 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.065 0.473 10.259 1.00 0.00 H new ATOM 1737 N TRP A 113 -9.134 2.790 8.870 1.00 0.00 N ATOM 1738 CA TRP A 113 -9.352 4.206 8.640 1.00 0.00 C ATOM 1739 C TRP A 113 -9.089 4.939 9.983 1.00 0.00 C ATOM 1740 O TRP A 113 -9.416 4.410 11.043 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.808 4.424 8.194 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.143 3.798 6.856 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.798 2.610 6.649 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.886 4.337 5.551 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -11.942 2.374 5.312 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.394 3.414 4.614 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.272 5.496 5.084 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.311 3.620 3.248 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.192 5.701 3.721 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -10.706 4.769 2.821 1.00 0.00 C ATOM 0 H TRP A 113 -9.955 2.291 9.212 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.689 4.589 7.864 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.475 4.014 8.953 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -11.005 5.495 8.142 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.150 1.955 7.432 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.387 1.554 4.900 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.866 6.221 5.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -11.709 2.901 2.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.723 6.599 3.346 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -10.624 4.959 1.761 1.00 0.00 H new ATOM 1761 N ASP A 114 -8.520 6.148 9.930 1.00 0.00 N ATOM 1762 CA ASP A 114 -8.048 6.867 11.156 1.00 0.00 C ATOM 1763 C ASP A 114 -9.135 7.732 11.799 1.00 0.00 C ATOM 1764 O ASP A 114 -8.873 8.415 12.794 1.00 0.00 O ATOM 1765 CB ASP A 114 -6.836 7.763 10.848 1.00 0.00 C ATOM 1766 CG ASP A 114 -7.218 9.024 10.103 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.896 8.920 9.058 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -6.857 10.128 10.576 1.00 0.00 O ATOM 0 H ASP A 114 -8.368 6.662 9.062 1.00 0.00 H new ATOM 0 HA ASP A 114 -7.769 6.083 11.860 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -6.342 8.033 11.781 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -6.114 7.200 10.256 1.00 0.00 H new ATOM 1773 N GLN A 115 -10.343 7.691 11.263 1.00 0.00 N ATOM 1774 CA GLN A 115 -11.448 8.518 11.791 1.00 0.00 C ATOM 1775 C GLN A 115 -11.686 8.277 13.297 1.00 0.00 C ATOM 1776 O GLN A 115 -11.855 7.140 13.735 1.00 0.00 O ATOM 1777 CB GLN A 115 -12.741 8.143 11.055 1.00 0.00 C ATOM 1778 CG GLN A 115 -13.953 8.971 11.470 1.00 0.00 C ATOM 1779 CD GLN A 115 -15.239 8.539 10.796 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -15.497 7.350 10.622 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -16.066 9.503 10.435 1.00 0.00 N ATOM 0 H GLN A 115 -10.596 7.103 10.469 1.00 0.00 H new ATOM 0 HA GLN A 115 -11.177 9.563 11.640 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -12.584 8.260 9.983 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -12.956 7.089 11.233 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -14.077 8.902 12.551 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -13.764 10.019 11.237 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -15.814 10.478 10.597 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -16.956 9.273 9.994 1.00 0.00 H new ATOM 1790 N GLU A 116 -11.691 9.383 14.085 1.00 0.00 N ATOM 1791 CA GLU A 116 -11.972 9.295 15.534 1.00 0.00 C ATOM 1792 C GLU A 116 -13.420 8.855 15.777 1.00 0.00 C ATOM 1793 O GLU A 116 -13.697 8.000 16.624 1.00 0.00 O ATOM 1794 CB GLU A 116 -11.767 10.665 16.221 1.00 0.00 C ATOM 1795 CG GLU A 116 -10.324 11.164 16.261 1.00 0.00 C ATOM 1796 CD GLU A 116 -10.195 12.555 16.897 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -11.220 13.118 17.330 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -9.067 13.081 16.960 1.00 0.00 O ATOM 0 H GLU A 116 -11.507 10.327 13.746 1.00 0.00 H new ATOM 0 HA GLU A 116 -11.281 8.564 15.953 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -12.377 11.407 15.705 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -12.140 10.600 17.243 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.714 10.455 16.821 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -9.926 11.195 15.247 1.00 0.00 H new ATOM 1805 N THR A 117 -14.317 9.427 14.995 1.00 0.00 N ATOM 1806 CA THR A 117 -15.749 9.191 15.087 1.00 0.00 C ATOM 1807 C THR A 117 -16.459 10.243 14.222 1.00 0.00 C ATOM 1808 O THR A 117 -15.974 11.388 14.122 1.00 0.00 O ATOM 1809 CB THR A 117 -16.257 9.310 16.565 1.00 0.00 C ATOM 1810 OG1 THR A 117 -17.615 8.846 16.657 1.00 0.00 O ATOM 1811 CG2 THR A 117 -16.186 10.754 17.071 1.00 0.00 C ATOM 0 H THR A 117 -14.065 10.086 14.259 1.00 0.00 H new ATOM 0 HA THR A 117 -15.966 8.181 14.741 1.00 0.00 H new ATOM 0 HB THR A 117 -15.607 8.694 17.186 1.00 0.00 H new ATOM 0 HG1 THR A 117 -17.925 8.922 17.584 1.00 0.00 H new ATOM 0 HG21 THR A 117 -16.546 10.797 18.099 1.00 0.00 H new ATOM 0 HG22 THR A 117 -15.154 11.102 17.033 1.00 0.00 H new ATOM 0 HG23 THR A 117 -16.807 11.391 16.442 1.00 0.00 H new ATOM 1819 N PRO A 118 -17.555 9.883 13.514 1.00 0.00 N ATOM 1820 CA PRO A 118 -18.278 10.876 12.712 1.00 0.00 C ATOM 1821 C PRO A 118 -18.845 12.008 13.590 1.00 0.00 C ATOM 1822 O PRO A 118 -19.397 11.762 14.666 1.00 0.00 O ATOM 1823 CB PRO A 118 -19.437 10.062 12.102 1.00 0.00 C ATOM 1824 CG PRO A 118 -19.018 8.627 12.217 1.00 0.00 C ATOM 1825 CD PRO A 118 -18.117 8.540 13.425 1.00 0.00 C ATOM 0 HA PRO A 118 -17.636 11.357 11.974 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -20.369 10.243 12.637 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -19.607 10.340 11.062 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -19.886 7.977 12.332 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -18.494 8.302 11.318 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -18.673 8.275 14.324 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -17.341 7.786 13.296 1.00 0.00 H new ATOM 1833 N ILE A 119 -18.731 13.232 13.098 1.00 0.00 N ATOM 1834 CA ILE A 119 -19.254 14.421 13.771 1.00 0.00 C ATOM 1835 C ILE A 119 -20.034 15.269 12.770 1.00 0.00 C ATOM 1836 O ILE A 119 -19.534 15.547 11.718 1.00 0.00 O ATOM 1837 CB ILE A 119 -18.092 15.229 14.294 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -17.336 14.399 15.312 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -18.628 16.510 14.949 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -16.009 14.940 15.663 1.00 0.00 C ATOM 0 H ILE A 119 -18.269 13.435 12.212 1.00 0.00 H new ATOM 0 HA ILE A 119 -19.910 14.125 14.590 1.00 0.00 H new ATOM 0 HB ILE A 119 -17.420 15.499 13.479 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -17.936 14.320 16.219 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -17.213 13.389 14.922 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -17.794 17.100 15.330 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -19.178 17.093 14.211 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -19.292 16.247 15.772 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -15.533 14.289 16.396 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -15.389 14.993 14.768 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -16.123 15.939 16.084 1.00 0.00 H new ATOM 1852 N CYS A 120 -21.206 15.686 13.060 1.00 0.00 N ATOM 1853 CA CYS A 120 -21.901 16.492 12.061 1.00 0.00 C ATOM 1854 C CYS A 120 -22.261 17.891 12.605 1.00 0.00 C ATOM 1855 O CYS A 120 -23.261 18.044 13.303 1.00 0.00 O ATOM 1856 CB CYS A 120 -23.134 15.717 11.542 1.00 0.00 C ATOM 1857 SG CYS A 120 -22.678 14.111 10.737 1.00 0.00 S ATOM 0 H CYS A 120 -21.709 15.509 13.930 1.00 0.00 H new ATOM 0 HA CYS A 120 -21.234 16.669 11.217 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -23.813 15.523 12.372 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -23.674 16.337 10.827 1.00 0.00 H new ATOM 1862 N ASP A 121 -21.420 18.929 12.268 1.00 0.00 N ATOM 1863 CA ASP A 121 -21.649 20.304 12.765 1.00 0.00 C ATOM 1864 C ASP A 121 -22.958 20.833 12.232 1.00 0.00 C ATOM 1865 O ASP A 121 -23.752 21.392 12.974 1.00 0.00 O ATOM 1866 CB ASP A 121 -20.495 21.246 12.354 1.00 0.00 C ATOM 1867 CG ASP A 121 -20.637 22.700 12.836 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -21.679 23.060 13.395 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -19.687 23.476 12.641 1.00 0.00 O ATOM 0 H ASP A 121 -20.601 18.828 11.668 1.00 0.00 H new ATOM 0 HA ASP A 121 -21.688 20.269 13.854 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -19.560 20.841 12.741 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -20.416 21.246 11.267 1.00 0.00 H new ATOM 1874 N ARG A 122 -23.199 20.583 10.931 1.00 0.00 N ATOM 1875 CA ARG A 122 -24.438 20.984 10.288 1.00 0.00 C ATOM 1876 C ARG A 122 -24.858 22.425 10.629 1.00 0.00 C ATOM 1877 O ARG A 122 -25.841 22.603 11.406 1.00 0.00 O ATOM 1878 CB ARG A 122 -25.505 19.992 10.690 1.00 0.00 C ATOM 1879 CG ARG A 122 -25.317 18.592 10.158 1.00 0.00 C ATOM 1880 CD ARG A 122 -25.581 18.567 8.682 1.00 0.00 C ATOM 1881 NE ARG A 122 -27.018 18.792 8.444 1.00 0.00 N ATOM 1882 CZ ARG A 122 -27.946 17.826 8.467 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -27.587 16.552 8.397 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -29.240 18.139 8.504 1.00 0.00 N ATOM 0 H ARG A 122 -22.543 20.104 10.314 1.00 0.00 H new ATOM 0 HA ARG A 122 -24.292 20.980 9.208 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -25.545 19.947 11.778 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -26.471 20.365 10.351 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -24.302 18.250 10.361 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -25.993 17.906 10.669 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -24.992 19.336 8.182 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -25.276 17.609 8.262 1.00 0.00 H new ATOM 0 HE ARG A 122 -27.326 19.745 8.249 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -26.600 16.303 8.325 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -28.297 15.820 8.415 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -29.528 19.117 8.515 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -29.943 17.400 8.521 1.00 0.00 H new