USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=27 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 14 THR OG1 : rot 180:sc= -1.05 USER MOD Set 1.2: A 29 ASN : amide:sc= -0.557 X(o=-1.6,f=-1.7) USER MOD Single : A 1 GLN : amide:sc= -0.155 K(o=-0.15,f=-2.4!) USER MOD Single : A 1 GLN N :NH3+ -146:sc= -0.234 (180deg=-1.76!) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN :FLIP amide:sc= -7.45! C(o=-9.8!,f=-7.4!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 96:sc= 0.532 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.0801 USER MOD Single : A 36 TYR OH : rot -143:sc= -0.957 USER MOD Single : A 37 SER OG : rot 141:sc= -4.23! USER MOD Single : A 42 SER OG : rot 180:sc=0.000695 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0407 K(o=-0.041,f=-1.5!) 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= 0.0595 USER MOD Single : A 65 ASN : amide:sc= -1.06 K(o=-1.1,f=-3!) USER MOD Single : A 71 ASN : amide:sc= -0.785 K(o=-0.79,f=-2.7!) USER MOD Single : A 73 MET CE :methyl 173:sc= 0 (180deg=-0.0858) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 84 SER OG : rot 0:sc= -1.69! USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 87 LYS NZ :NH3+ -159:sc= -0.0864 (180deg=-0.634) USER MOD Single : A 88 TYR OH : rot 60:sc= -1.04 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -10:sc= 0.41 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot -140:sc= -2.47! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot -35:sc= 0.113 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot -32:sc= 0.523 USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 115 GLN : amide:sc= -1.78 K(o=-1.8,f=-3.8!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.0808 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 23.899 -5.648 -16.697 1.00 0.00 N ATOM 2 CA GLN A 1 23.605 -6.990 -17.125 1.00 0.00 C ATOM 3 C GLN A 1 22.098 -7.244 -16.999 1.00 0.00 C ATOM 4 O GLN A 1 21.389 -7.362 -17.995 1.00 0.00 O ATOM 5 CB GLN A 1 24.388 -7.821 -16.129 1.00 0.00 C ATOM 6 CG GLN A 1 25.894 -7.614 -16.280 1.00 0.00 C ATOM 7 CD GLN A 1 26.654 -8.167 -15.127 1.00 0.00 C ATOM 8 OE1 GLN A 1 27.046 -9.330 -15.069 1.00 0.00 O ATOM 9 NE2 GLN A 1 26.859 -7.256 -14.158 1.00 0.00 N ATOM 0 H1 GLN A 1 24.685 -5.268 -17.262 1.00 0.00 H new ATOM 0 H2 GLN A 1 23.058 -5.050 -16.827 1.00 0.00 H new ATOM 0 H3 GLN A 1 24.167 -5.655 -15.692 1.00 0.00 H new ATOM 0 HA GLN A 1 23.866 -7.208 -18.160 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.084 -7.557 -15.116 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.150 -8.876 -16.268 1.00 0.00 H new ATOM 0 HG2 GLN A 1 26.234 -8.090 -17.200 1.00 0.00 H new ATOM 0 HG3 GLN A 1 26.105 -6.549 -16.375 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.507 -6.305 -14.269 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.367 -7.516 -13.313 1.00 0.00 H new ATOM 18 N CYS A 2 21.626 -7.274 -15.751 1.00 0.00 N ATOM 19 CA CYS A 2 20.215 -7.487 -15.439 1.00 0.00 C ATOM 20 C CYS A 2 19.420 -6.199 -15.678 1.00 0.00 C ATOM 21 O CYS A 2 18.192 -6.226 -15.841 1.00 0.00 O ATOM 22 CB CYS A 2 20.062 -7.990 -14.015 1.00 0.00 C ATOM 23 SG CYS A 2 21.190 -9.386 -13.668 1.00 0.00 S ATOM 0 H CYS A 2 22.215 -7.151 -14.927 1.00 0.00 H new ATOM 0 HA CYS A 2 19.811 -8.251 -16.103 1.00 0.00 H new ATOM 0 HB2 CYS A 2 20.264 -7.177 -13.318 1.00 0.00 H new ATOM 0 HB3 CYS A 2 19.032 -8.304 -13.848 1.00 0.00 H new ATOM 28 N ASN A 3 20.156 -5.048 -15.686 1.00 0.00 N ATOM 29 CA ASN A 3 19.550 -3.704 -15.824 1.00 0.00 C ATOM 30 C ASN A 3 18.607 -3.402 -14.753 1.00 0.00 C ATOM 31 O ASN A 3 17.597 -2.735 -14.985 1.00 0.00 O ATOM 32 CB ASN A 3 18.877 -3.529 -17.156 1.00 0.00 C ATOM 33 CG ASN A 3 19.869 -3.394 -18.231 1.00 0.00 C ATOM 34 OD1 ASN A 3 20.362 -2.305 -18.512 1.00 0.00 O ATOM 35 ND2 ASN A 3 20.228 -4.465 -18.783 1.00 0.00 N ATOM 0 H ASN A 3 21.172 -5.033 -15.598 1.00 0.00 H new ATOM 0 HA ASN A 3 20.378 -2.998 -15.753 1.00 0.00 H new ATOM 0 HB2 ASN A 3 18.231 -4.384 -17.357 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.238 -2.646 -17.132 1.00 0.00 H new ATOM 0 HD21 ASN A 3 20.957 -4.452 -19.496 1.00 0.00 H new ATOM 0 HD22 ASN A 3 19.790 -5.347 -18.518 1.00 0.00 H new ATOM 42 N ALA A 4 18.928 -3.895 -13.551 1.00 0.00 N ATOM 43 CA ALA A 4 18.133 -3.617 -12.384 1.00 0.00 C ATOM 44 C ALA A 4 16.812 -4.362 -12.457 1.00 0.00 C ATOM 45 O ALA A 4 16.200 -4.451 -13.522 1.00 0.00 O ATOM 46 CB ALA A 4 17.945 -2.121 -12.278 1.00 0.00 C ATOM 0 H ALA A 4 19.739 -4.489 -13.377 1.00 0.00 H new ATOM 0 HA ALA A 4 18.638 -3.966 -11.483 1.00 0.00 H new ATOM 0 HB1 ALA A 4 17.344 -1.891 -11.398 1.00 0.00 H new ATOM 0 HB2 ALA A 4 18.918 -1.637 -12.189 1.00 0.00 H new ATOM 0 HB3 ALA A 4 17.437 -1.754 -13.170 1.00 0.00 H new ATOM 52 N PRO A 5 16.378 -4.965 -11.362 1.00 0.00 N ATOM 53 CA PRO A 5 15.174 -5.774 -11.391 1.00 0.00 C ATOM 54 C PRO A 5 13.922 -5.021 -11.822 1.00 0.00 C ATOM 55 O PRO A 5 13.442 -5.188 -12.960 1.00 0.00 O ATOM 56 CB PRO A 5 15.038 -6.288 -9.955 1.00 0.00 C ATOM 57 CG PRO A 5 15.920 -5.404 -9.120 1.00 0.00 C ATOM 58 CD PRO A 5 17.020 -4.943 -10.024 1.00 0.00 C ATOM 0 HA PRO A 5 15.263 -6.565 -12.136 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.003 -6.238 -9.618 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.347 -7.331 -9.882 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.360 -4.557 -8.724 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.321 -5.949 -8.265 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.369 -3.945 -9.759 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.884 -5.605 -9.979 1.00 0.00 H new ATOM 66 N GLU A 6 13.425 -4.191 -10.944 1.00 0.00 N ATOM 67 CA GLU A 6 12.254 -3.381 -11.212 1.00 0.00 C ATOM 68 C GLU A 6 12.013 -2.430 -10.076 1.00 0.00 C ATOM 69 O GLU A 6 12.698 -2.482 -9.052 1.00 0.00 O ATOM 70 CB GLU A 6 10.970 -4.232 -11.450 1.00 0.00 C ATOM 71 CG GLU A 6 10.563 -5.157 -10.294 1.00 0.00 C ATOM 72 CD GLU A 6 11.433 -6.373 -10.172 1.00 0.00 C ATOM 73 OE1 GLU A 6 11.654 -7.057 -11.213 1.00 0.00 O ATOM 74 OE2 GLU A 6 11.922 -6.643 -9.056 1.00 0.00 O ATOM 0 H GLU A 6 13.820 -4.053 -10.014 1.00 0.00 H new ATOM 0 HA GLU A 6 12.459 -2.832 -12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.141 -3.556 -11.659 1.00 0.00 H new ATOM 0 HB3 GLU A 6 11.119 -4.840 -12.343 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.600 -4.597 -9.360 1.00 0.00 H new ATOM 0 HG3 GLU A 6 9.529 -5.471 -10.436 1.00 0.00 H new ATOM 81 N TRP A 7 11.080 -1.539 -10.266 1.00 0.00 N ATOM 82 CA TRP A 7 10.645 -0.709 -9.199 1.00 0.00 C ATOM 83 C TRP A 7 9.543 -1.439 -8.462 1.00 0.00 C ATOM 84 O TRP A 7 8.506 -1.752 -9.039 1.00 0.00 O ATOM 85 CB TRP A 7 10.176 0.657 -9.713 1.00 0.00 C ATOM 86 CG TRP A 7 9.669 1.527 -8.624 1.00 0.00 C ATOM 87 CD1 TRP A 7 10.401 2.308 -7.785 1.00 0.00 C ATOM 88 CD2 TRP A 7 8.289 1.765 -8.301 1.00 0.00 C ATOM 89 NE1 TRP A 7 9.565 2.953 -6.897 1.00 0.00 N ATOM 90 CE2 TRP A 7 8.261 2.651 -7.215 1.00 0.00 C ATOM 91 CE3 TRP A 7 7.077 1.289 -8.823 1.00 0.00 C ATOM 92 CZ2 TRP A 7 7.075 3.073 -6.642 1.00 0.00 C ATOM 93 CZ3 TRP A 7 5.896 1.713 -8.259 1.00 0.00 C ATOM 94 CH2 TRP A 7 5.901 2.599 -7.181 1.00 0.00 C ATOM 0 H TRP A 7 10.610 -1.376 -11.156 1.00 0.00 H new ATOM 0 HA TRP A 7 11.472 -0.509 -8.518 1.00 0.00 H new ATOM 0 HB2 TRP A 7 11.003 1.156 -10.218 1.00 0.00 H new ATOM 0 HB3 TRP A 7 9.390 0.513 -10.455 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.476 2.408 -7.810 1.00 0.00 H new ATOM 0 HE1 TRP A 7 9.865 3.555 -6.130 1.00 0.00 H new ATOM 0 HE3 TRP A 7 7.071 0.600 -9.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 7.071 3.751 -5.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.956 1.357 -8.654 1.00 0.00 H new ATOM 0 HH2 TRP A 7 4.960 2.921 -6.759 1.00 0.00 H new ATOM 105 N LEU A 8 9.770 -1.717 -7.199 1.00 0.00 N ATOM 106 CA LEU A 8 8.829 -2.492 -6.428 1.00 0.00 C ATOM 107 C LEU A 8 8.401 -1.708 -5.191 1.00 0.00 C ATOM 108 O LEU A 8 9.161 -1.577 -4.229 1.00 0.00 O ATOM 109 CB LEU A 8 9.449 -3.841 -6.051 1.00 0.00 C ATOM 110 CG LEU A 8 8.454 -4.964 -5.699 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.426 -5.136 -6.822 1.00 0.00 C ATOM 112 CD2 LEU A 8 9.196 -6.276 -5.494 1.00 0.00 C ATOM 0 H LEU A 8 10.598 -1.418 -6.685 1.00 0.00 H new ATOM 0 HA LEU A 8 7.939 -2.687 -7.026 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.069 -4.179 -6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.112 -3.689 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 8 7.939 -4.690 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.730 -5.933 -6.559 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.877 -4.204 -6.958 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.939 -5.393 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.483 -7.062 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.725 -6.542 -6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.912 -6.166 -4.680 1.00 0.00 H new ATOM 124 N PRO A 9 7.177 -1.179 -5.213 1.00 0.00 N ATOM 125 CA PRO A 9 6.667 -0.288 -4.158 1.00 0.00 C ATOM 126 C PRO A 9 6.563 -0.948 -2.783 1.00 0.00 C ATOM 127 O PRO A 9 6.610 -0.272 -1.773 1.00 0.00 O ATOM 128 CB PRO A 9 5.259 0.106 -4.683 1.00 0.00 C ATOM 129 CG PRO A 9 4.895 -0.971 -5.641 1.00 0.00 C ATOM 130 CD PRO A 9 6.184 -1.396 -6.282 1.00 0.00 C ATOM 0 HA PRO A 9 7.341 0.553 -3.991 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.537 0.171 -3.869 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.277 1.080 -5.172 1.00 0.00 H new ATOM 0 HG2 PRO A 9 4.418 -1.807 -5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 9 4.187 -0.609 -6.387 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.153 -2.439 -6.597 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.409 -0.802 -7.168 1.00 0.00 H new ATOM 138 N PHE A 10 6.442 -2.264 -2.747 1.00 0.00 N ATOM 139 CA PHE A 10 6.279 -2.955 -1.463 1.00 0.00 C ATOM 140 C PHE A 10 7.554 -3.688 -1.017 1.00 0.00 C ATOM 141 O PHE A 10 7.540 -4.410 -0.013 1.00 0.00 O ATOM 142 CB PHE A 10 5.106 -3.948 -1.507 1.00 0.00 C ATOM 143 CG PHE A 10 4.788 -4.491 -2.870 1.00 0.00 C ATOM 144 CD1 PHE A 10 5.456 -5.613 -3.371 1.00 0.00 C ATOM 145 CD2 PHE A 10 3.812 -3.898 -3.647 1.00 0.00 C ATOM 146 CE1 PHE A 10 5.147 -6.112 -4.633 1.00 0.00 C ATOM 147 CE2 PHE A 10 3.503 -4.391 -4.913 1.00 0.00 C ATOM 148 CZ PHE A 10 4.168 -5.493 -5.403 1.00 0.00 C ATOM 0 H PHE A 10 6.452 -2.871 -3.567 1.00 0.00 H new ATOM 0 HA PHE A 10 6.067 -2.176 -0.730 1.00 0.00 H new ATOM 0 HB2 PHE A 10 5.330 -4.783 -0.843 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.217 -3.456 -1.112 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.216 -6.095 -2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 10 3.280 -3.038 -3.267 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.667 -6.979 -5.014 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.743 -3.909 -5.510 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.930 -5.876 -6.384 1.00 0.00 H new ATOM 158 N ALA A 11 8.634 -3.490 -1.726 1.00 0.00 N ATOM 159 CA ALA A 11 9.878 -4.197 -1.415 1.00 0.00 C ATOM 160 C ALA A 11 10.804 -3.370 -0.529 1.00 0.00 C ATOM 161 O ALA A 11 10.854 -2.151 -0.655 1.00 0.00 O ATOM 162 CB ALA A 11 10.597 -4.572 -2.690 1.00 0.00 C ATOM 0 H ALA A 11 8.692 -2.852 -2.520 1.00 0.00 H new ATOM 0 HA ALA A 11 9.607 -5.098 -0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 11 11.520 -5.097 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.959 -5.220 -3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.831 -3.670 -3.255 1.00 0.00 H new ATOM 168 N ARG A 12 11.525 -4.050 0.393 1.00 0.00 N ATOM 169 CA ARG A 12 12.545 -3.394 1.243 1.00 0.00 C ATOM 170 C ARG A 12 13.894 -4.169 1.210 1.00 0.00 C ATOM 171 O ARG A 12 14.450 -4.467 2.266 1.00 0.00 O ATOM 172 CB ARG A 12 12.080 -3.287 2.723 1.00 0.00 C ATOM 173 CG ARG A 12 10.750 -2.608 2.940 1.00 0.00 C ATOM 174 CD ARG A 12 10.621 -1.295 2.183 1.00 0.00 C ATOM 175 NE ARG A 12 11.695 -0.339 2.477 1.00 0.00 N ATOM 176 CZ ARG A 12 12.219 0.514 1.564 1.00 0.00 C ATOM 177 NH1 ARG A 12 11.866 0.418 0.280 1.00 0.00 N ATOM 178 NH2 ARG A 12 13.130 1.419 1.940 1.00 0.00 N ATOM 0 H ARG A 12 11.419 -5.050 0.567 1.00 0.00 H new ATOM 0 HA ARG A 12 12.684 -2.393 0.834 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.028 -4.292 3.142 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.840 -2.746 3.286 1.00 0.00 H new ATOM 0 HG2 ARG A 12 9.950 -3.280 2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 12 10.613 -2.422 4.005 1.00 0.00 H new ATOM 0 HD2 ARG A 12 10.613 -1.502 1.113 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.662 -0.838 2.427 1.00 0.00 H new ATOM 0 HE ARG A 12 12.069 -0.315 3.426 1.00 0.00 H new ATOM 0 HH11 ARG A 12 11.201 -0.298 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.261 1.060 -0.407 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.430 1.467 2.914 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.525 2.061 1.253 1.00 0.00 H new ATOM 192 N PRO A 13 14.450 -4.466 0.004 1.00 0.00 N ATOM 193 CA PRO A 13 15.698 -5.214 -0.139 1.00 0.00 C ATOM 194 C PRO A 13 16.875 -4.450 0.386 1.00 0.00 C ATOM 195 O PRO A 13 16.894 -3.213 0.389 1.00 0.00 O ATOM 196 CB PRO A 13 15.823 -5.489 -1.637 1.00 0.00 C ATOM 197 CG PRO A 13 14.507 -5.107 -2.204 1.00 0.00 C ATOM 198 CD PRO A 13 13.954 -4.055 -1.304 1.00 0.00 C ATOM 0 HA PRO A 13 15.683 -6.135 0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 13 16.629 -4.905 -2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.047 -6.538 -1.829 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.616 -4.731 -3.221 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.840 -5.968 -2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.307 -3.061 -1.578 1.00 0.00 H new ATOM 0 HD3 PRO A 13 12.865 -4.027 -1.334 1.00 0.00 H new ATOM 206 N THR A 14 17.855 -5.177 0.816 1.00 0.00 N ATOM 207 CA THR A 14 18.965 -4.606 1.538 1.00 0.00 C ATOM 208 C THR A 14 20.107 -4.275 0.573 1.00 0.00 C ATOM 209 O THR A 14 21.161 -3.799 0.980 1.00 0.00 O ATOM 210 CB THR A 14 19.480 -5.652 2.530 1.00 0.00 C ATOM 211 OG1 THR A 14 20.154 -6.695 1.818 1.00 0.00 O ATOM 212 CG2 THR A 14 18.321 -6.297 3.247 1.00 0.00 C ATOM 0 H THR A 14 17.916 -6.186 0.680 1.00 0.00 H new ATOM 0 HA THR A 14 18.637 -3.699 2.045 1.00 0.00 H new ATOM 0 HB THR A 14 20.147 -5.155 3.234 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.485 -7.364 2.453 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.696 -7.040 3.951 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.759 -5.536 3.788 1.00 0.00 H new ATOM 0 HG23 THR A 14 17.669 -6.782 2.521 1.00 0.00 H new ATOM 220 N GLN A 15 19.873 -4.554 -0.710 1.00 0.00 N ATOM 221 CA GLN A 15 20.914 -4.473 -1.728 1.00 0.00 C ATOM 222 C GLN A 15 20.486 -3.553 -2.864 1.00 0.00 C ATOM 223 O GLN A 15 21.214 -2.735 -3.295 1.00 0.00 O ATOM 224 CB GLN A 15 21.097 -5.852 -2.286 1.00 0.00 C ATOM 225 CG GLN A 15 21.034 -6.947 -1.251 1.00 0.00 C ATOM 226 CD GLN A 15 20.388 -8.150 -1.835 1.00 0.00 C ATOM 227 OE1 GLN A 15 19.285 -7.910 -2.564 1.00 0.00 O flip ATOM 228 NE2 GLN A 15 20.807 -9.284 -1.616 1.00 0.00 N flip ATOM 0 H GLN A 15 18.962 -4.840 -1.068 1.00 0.00 H new ATOM 0 HA GLN A 15 21.831 -4.083 -1.287 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.329 -6.033 -3.038 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.060 -5.902 -2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.038 -7.193 -0.906 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.472 -6.607 -0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 15 21.649 -9.417 -1.056 1.00 0.00 H new ATOM 0 HE22 GLN A 15 20.312 -10.092 -1.994 1.00 0.00 H new ATOM 237 N LEU A 16 19.224 -3.575 -3.157 1.00 0.00 N ATOM 238 CA LEU A 16 18.630 -2.925 -4.325 1.00 0.00 C ATOM 239 C LEU A 16 18.836 -1.448 -4.320 1.00 0.00 C ATOM 240 O LEU A 16 19.104 -0.839 -5.343 1.00 0.00 O ATOM 241 CB LEU A 16 17.170 -3.160 -4.258 1.00 0.00 C ATOM 242 CG LEU A 16 16.361 -2.472 -5.309 1.00 0.00 C ATOM 243 CD1 LEU A 16 16.611 -3.050 -6.666 1.00 0.00 C ATOM 244 CD2 LEU A 16 14.922 -2.492 -4.923 1.00 0.00 C ATOM 0 H LEU A 16 18.537 -4.060 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 16 19.097 -3.334 -5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 16 16.988 -4.232 -4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 16 16.812 -2.839 -3.280 1.00 0.00 H new ATOM 0 HG LEU A 16 16.673 -1.430 -5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 16 16.005 -2.523 -7.403 1.00 0.00 H new ATOM 0 HD12 LEU A 16 17.666 -2.941 -6.919 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.345 -4.107 -6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 16 14.333 -1.990 -5.690 1.00 0.00 H new ATOM 0 HD22 LEU A 16 14.586 -3.524 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.793 -1.976 -3.971 1.00 0.00 H new ATOM 256 N THR A 17 18.706 -0.901 -3.195 1.00 0.00 N ATOM 257 CA THR A 17 18.709 0.508 -3.007 1.00 0.00 C ATOM 258 C THR A 17 20.029 1.104 -3.502 1.00 0.00 C ATOM 259 O THR A 17 20.062 2.237 -3.994 1.00 0.00 O ATOM 260 CB THR A 17 18.518 0.825 -1.496 1.00 0.00 C ATOM 261 OG1 THR A 17 18.340 2.237 -1.280 1.00 0.00 O ATOM 262 CG2 THR A 17 19.699 0.304 -0.680 1.00 0.00 C ATOM 0 H THR A 17 18.588 -1.428 -2.330 1.00 0.00 H new ATOM 0 HA THR A 17 17.892 0.949 -3.578 1.00 0.00 H new ATOM 0 HB THR A 17 17.615 0.315 -1.161 1.00 0.00 H new ATOM 0 HG1 THR A 17 18.221 2.409 -0.323 1.00 0.00 H new ATOM 0 HG21 THR A 17 19.544 0.537 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 17 19.780 -0.776 -0.805 1.00 0.00 H new ATOM 0 HG23 THR A 17 20.617 0.779 -1.025 1.00 0.00 H new ATOM 270 N ASP A 18 21.106 0.359 -3.340 1.00 0.00 N ATOM 271 CA ASP A 18 22.411 0.842 -3.671 1.00 0.00 C ATOM 272 C ASP A 18 23.052 -0.093 -4.686 1.00 0.00 C ATOM 273 O ASP A 18 24.185 0.137 -5.129 1.00 0.00 O ATOM 274 CB ASP A 18 23.240 0.866 -2.382 1.00 0.00 C ATOM 275 CG ASP A 18 24.598 1.555 -2.515 1.00 0.00 C ATOM 276 OD1 ASP A 18 24.727 2.510 -3.315 1.00 0.00 O ATOM 277 OD2 ASP A 18 25.556 1.119 -1.818 1.00 0.00 O ATOM 0 H ASP A 18 21.090 -0.594 -2.976 1.00 0.00 H new ATOM 0 HA ASP A 18 22.358 1.841 -4.103 1.00 0.00 H new ATOM 0 HB2 ASP A 18 22.666 1.370 -1.605 1.00 0.00 H new ATOM 0 HB3 ASP A 18 23.398 -0.159 -2.047 1.00 0.00 H new ATOM 282 N GLU A 19 22.291 -1.135 -5.112 1.00 0.00 N ATOM 283 CA GLU A 19 22.873 -2.186 -5.917 1.00 0.00 C ATOM 284 C GLU A 19 21.829 -2.650 -6.909 1.00 0.00 C ATOM 285 O GLU A 19 21.048 -3.586 -6.654 1.00 0.00 O ATOM 286 CB GLU A 19 23.190 -3.347 -5.025 1.00 0.00 C ATOM 287 CG GLU A 19 24.138 -2.964 -3.931 1.00 0.00 C ATOM 288 CD GLU A 19 24.501 -4.105 -2.999 1.00 0.00 C ATOM 289 OE1 GLU A 19 24.054 -5.242 -3.256 1.00 0.00 O ATOM 290 OE2 GLU A 19 25.228 -3.867 -1.997 1.00 0.00 O ATOM 0 H GLU A 19 21.299 -1.249 -4.906 1.00 0.00 H new ATOM 0 HA GLU A 19 23.769 -1.825 -6.422 1.00 0.00 H new ATOM 0 HB2 GLU A 19 22.268 -3.733 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 19 23.624 -4.153 -5.617 1.00 0.00 H new ATOM 0 HG2 GLU A 19 25.051 -2.569 -4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.695 -2.158 -3.346 1.00 0.00 H new ATOM 297 N PHE A 20 21.787 -1.985 -7.980 1.00 0.00 N ATOM 298 CA PHE A 20 20.839 -2.282 -9.033 1.00 0.00 C ATOM 299 C PHE A 20 21.471 -3.134 -10.145 1.00 0.00 C ATOM 300 O PHE A 20 20.777 -3.545 -11.093 1.00 0.00 O ATOM 301 CB PHE A 20 20.351 -0.976 -9.650 1.00 0.00 C ATOM 302 CG PHE A 20 19.586 -0.055 -8.724 1.00 0.00 C ATOM 303 CD1 PHE A 20 18.236 -0.258 -8.454 1.00 0.00 C ATOM 304 CD2 PHE A 20 20.229 1.018 -8.142 1.00 0.00 C ATOM 305 CE1 PHE A 20 17.542 0.607 -7.621 1.00 0.00 C ATOM 306 CE2 PHE A 20 19.547 1.888 -7.317 1.00 0.00 C ATOM 307 CZ PHE A 20 18.196 1.679 -7.049 1.00 0.00 C ATOM 0 H PHE A 20 22.406 -1.201 -8.184 1.00 0.00 H new ATOM 0 HA PHE A 20 20.015 -2.842 -8.590 1.00 0.00 H new ATOM 0 HB2 PHE A 20 21.214 -0.435 -10.038 1.00 0.00 H new ATOM 0 HB3 PHE A 20 19.714 -1.214 -10.502 1.00 0.00 H new ATOM 0 HD1 PHE A 20 17.723 -1.098 -8.898 1.00 0.00 H new ATOM 0 HD2 PHE A 20 21.279 1.179 -8.335 1.00 0.00 H new ATOM 0 HE1 PHE A 20 16.494 0.442 -7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 20 20.060 2.731 -6.879 1.00 0.00 H new ATOM 0 HZ PHE A 20 17.662 2.354 -6.396 1.00 0.00 H new ATOM 317 N GLU A 21 22.760 -3.427 -10.041 1.00 0.00 N ATOM 318 CA GLU A 21 23.422 -4.146 -11.141 1.00 0.00 C ATOM 319 C GLU A 21 24.021 -5.440 -10.614 1.00 0.00 C ATOM 320 O GLU A 21 24.779 -5.415 -9.637 1.00 0.00 O ATOM 321 CB GLU A 21 24.578 -3.335 -11.752 1.00 0.00 C ATOM 322 CG GLU A 21 24.181 -1.968 -12.283 1.00 0.00 C ATOM 323 CD GLU A 21 24.175 -0.920 -11.181 1.00 0.00 C ATOM 324 OE1 GLU A 21 24.396 -1.289 -9.981 1.00 0.00 O ATOM 325 OE2 GLU A 21 23.970 0.262 -11.489 1.00 0.00 O ATOM 0 H GLU A 21 23.355 -3.194 -9.246 1.00 0.00 H new ATOM 0 HA GLU A 21 22.663 -4.326 -11.902 1.00 0.00 H new ATOM 0 HB2 GLU A 21 25.353 -3.206 -10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 21 25.019 -3.912 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 21 24.874 -1.667 -13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 21 23.191 -2.026 -12.736 1.00 0.00 H new ATOM 332 N PHE A 22 23.726 -6.568 -11.277 1.00 0.00 N ATOM 333 CA PHE A 22 24.287 -7.868 -10.866 1.00 0.00 C ATOM 334 C PHE A 22 24.418 -8.868 -12.043 1.00 0.00 C ATOM 335 O PHE A 22 23.765 -8.722 -13.058 1.00 0.00 O ATOM 336 CB PHE A 22 23.446 -8.504 -9.751 1.00 0.00 C ATOM 337 CG PHE A 22 23.607 -7.854 -8.419 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.730 -8.084 -7.645 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.640 -7.003 -7.946 1.00 0.00 C ATOM 340 CE1 PHE A 22 24.873 -7.465 -6.418 1.00 0.00 C ATOM 341 CE2 PHE A 22 22.784 -6.388 -6.720 1.00 0.00 C ATOM 342 CZ PHE A 22 23.898 -6.621 -5.963 1.00 0.00 C ATOM 0 H PHE A 22 23.111 -6.610 -12.090 1.00 0.00 H new ATOM 0 HA PHE A 22 25.290 -7.657 -10.496 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.395 -8.466 -10.037 1.00 0.00 H new ATOM 0 HB3 PHE A 22 23.714 -9.557 -9.664 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.500 -8.752 -8.002 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.758 -6.813 -8.539 1.00 0.00 H new ATOM 0 HE1 PHE A 22 25.753 -7.647 -5.819 1.00 0.00 H new ATOM 0 HE2 PHE A 22 22.015 -5.721 -6.358 1.00 0.00 H new ATOM 0 HZ PHE A 22 24.008 -6.138 -5.004 1.00 0.00 H new ATOM 352 N PRO A 23 25.386 -9.805 -11.936 1.00 0.00 N ATOM 353 CA PRO A 23 25.565 -10.978 -12.836 1.00 0.00 C ATOM 354 C PRO A 23 24.511 -12.097 -12.646 1.00 0.00 C ATOM 355 O PRO A 23 23.806 -12.137 -11.629 1.00 0.00 O ATOM 356 CB PRO A 23 26.972 -11.450 -12.538 1.00 0.00 C ATOM 357 CG PRO A 23 27.167 -11.129 -11.110 1.00 0.00 C ATOM 358 CD PRO A 23 26.429 -9.818 -10.883 1.00 0.00 C ATOM 0 HA PRO A 23 25.419 -10.699 -13.880 1.00 0.00 H new ATOM 0 HB2 PRO A 23 27.082 -12.518 -12.725 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.704 -10.940 -13.164 1.00 0.00 H new ATOM 0 HG2 PRO A 23 26.769 -11.919 -10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 23 28.226 -11.030 -10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.990 -9.775 -9.886 1.00 0.00 H new ATOM 0 HD3 PRO A 23 27.098 -8.963 -10.974 1.00 0.00 H new ATOM 366 N ILE A 24 24.409 -12.990 -13.633 1.00 0.00 N ATOM 367 CA ILE A 24 23.466 -14.111 -13.602 1.00 0.00 C ATOM 368 C ILE A 24 23.840 -15.075 -12.475 1.00 0.00 C ATOM 369 O ILE A 24 25.019 -15.380 -12.264 1.00 0.00 O ATOM 370 CB ILE A 24 23.483 -14.919 -14.933 1.00 0.00 C ATOM 371 CG1 ILE A 24 23.025 -14.074 -16.112 1.00 0.00 C ATOM 372 CG2 ILE A 24 22.637 -16.185 -14.831 1.00 0.00 C ATOM 373 CD1 ILE A 24 24.159 -13.385 -16.836 1.00 0.00 C ATOM 0 H ILE A 24 24.979 -12.956 -14.478 1.00 0.00 H new ATOM 0 HA ILE A 24 22.474 -13.687 -13.448 1.00 0.00 H new ATOM 0 HB ILE A 24 24.518 -15.212 -15.108 1.00 0.00 H new ATOM 0 HG12 ILE A 24 22.487 -14.708 -16.816 1.00 0.00 H new ATOM 0 HG13 ILE A 24 22.320 -13.322 -15.758 1.00 0.00 H new ATOM 0 HG21 ILE A 24 22.672 -16.723 -15.778 1.00 0.00 H new ATOM 0 HG22 ILE A 24 23.028 -16.821 -14.037 1.00 0.00 H new ATOM 0 HG23 ILE A 24 21.605 -15.916 -14.605 1.00 0.00 H new ATOM 0 HD11 ILE A 24 23.760 -12.800 -17.665 1.00 0.00 H new ATOM 0 HD12 ILE A 24 24.684 -12.725 -16.146 1.00 0.00 H new ATOM 0 HD13 ILE A 24 24.853 -14.133 -17.221 1.00 0.00 H new ATOM 385 N GLY A 25 22.827 -15.530 -11.732 1.00 0.00 N ATOM 386 CA GLY A 25 23.074 -16.426 -10.602 1.00 0.00 C ATOM 387 C GLY A 25 23.405 -15.694 -9.322 1.00 0.00 C ATOM 388 O GLY A 25 24.012 -16.255 -8.405 1.00 0.00 O ATOM 0 H GLY A 25 21.846 -15.298 -11.889 1.00 0.00 H new ATOM 0 HA2 GLY A 25 22.193 -17.047 -10.440 1.00 0.00 H new ATOM 0 HA3 GLY A 25 23.896 -17.097 -10.852 1.00 0.00 H new ATOM 392 N THR A 26 23.008 -14.452 -9.254 1.00 0.00 N ATOM 393 CA THR A 26 23.182 -13.665 -8.077 1.00 0.00 C ATOM 394 C THR A 26 21.845 -13.579 -7.363 1.00 0.00 C ATOM 395 O THR A 26 20.816 -13.273 -7.965 1.00 0.00 O ATOM 396 CB THR A 26 23.670 -12.249 -8.427 1.00 0.00 C ATOM 397 OG1 THR A 26 24.918 -12.336 -9.107 1.00 0.00 O ATOM 398 CG2 THR A 26 23.855 -11.441 -7.167 1.00 0.00 C ATOM 0 H THR A 26 22.552 -13.960 -10.023 1.00 0.00 H new ATOM 0 HA THR A 26 23.933 -14.131 -7.439 1.00 0.00 H new ATOM 0 HB THR A 26 22.929 -11.764 -9.063 1.00 0.00 H new ATOM 0 HG1 THR A 26 24.766 -12.303 -10.075 1.00 0.00 H new ATOM 0 HG21 THR A 26 24.201 -10.440 -7.424 1.00 0.00 H new ATOM 0 HG22 THR A 26 22.905 -11.372 -6.636 1.00 0.00 H new ATOM 0 HG23 THR A 26 24.593 -11.927 -6.528 1.00 0.00 H new ATOM 406 N TYR A 27 21.862 -13.879 -6.088 1.00 0.00 N ATOM 407 CA TYR A 27 20.645 -13.911 -5.306 1.00 0.00 C ATOM 408 C TYR A 27 20.493 -12.632 -4.493 1.00 0.00 C ATOM 409 O TYR A 27 21.386 -12.232 -3.756 1.00 0.00 O ATOM 410 CB TYR A 27 20.708 -15.145 -4.373 1.00 0.00 C ATOM 411 CG TYR A 27 20.483 -16.497 -5.067 1.00 0.00 C ATOM 412 CD1 TYR A 27 21.405 -17.014 -5.985 1.00 0.00 C ATOM 413 CD2 TYR A 27 19.363 -17.282 -4.755 1.00 0.00 C ATOM 414 CE1 TYR A 27 21.213 -18.248 -6.576 1.00 0.00 C ATOM 415 CE2 TYR A 27 19.160 -18.521 -5.345 1.00 0.00 C ATOM 416 CZ TYR A 27 20.092 -18.999 -6.259 1.00 0.00 C ATOM 417 OH TYR A 27 19.912 -20.234 -6.849 1.00 0.00 O ATOM 0 H TYR A 27 22.708 -14.106 -5.565 1.00 0.00 H new ATOM 0 HA TYR A 27 19.780 -13.983 -5.965 1.00 0.00 H new ATOM 0 HB2 TYR A 27 21.682 -15.162 -3.884 1.00 0.00 H new ATOM 0 HB3 TYR A 27 19.960 -15.027 -3.589 1.00 0.00 H new ATOM 0 HD1 TYR A 27 22.283 -16.437 -6.236 1.00 0.00 H new ATOM 0 HD2 TYR A 27 18.643 -16.914 -4.040 1.00 0.00 H new ATOM 0 HE1 TYR A 27 21.935 -18.627 -7.284 1.00 0.00 H new ATOM 0 HE2 TYR A 27 18.288 -19.108 -5.097 1.00 0.00 H new ATOM 0 HH TYR A 27 19.080 -20.635 -6.522 1.00 0.00 H new ATOM 427 N LEU A 28 19.329 -12.020 -4.637 1.00 0.00 N ATOM 428 CA LEU A 28 18.981 -10.764 -3.971 1.00 0.00 C ATOM 429 C LEU A 28 17.926 -10.922 -2.917 1.00 0.00 C ATOM 430 O LEU A 28 16.878 -11.498 -3.137 1.00 0.00 O ATOM 431 CB LEU A 28 18.583 -9.678 -4.953 1.00 0.00 C ATOM 432 CG LEU A 28 19.729 -8.891 -5.630 1.00 0.00 C ATOM 433 CD1 LEU A 28 20.657 -9.791 -6.423 1.00 0.00 C ATOM 434 CD2 LEU A 28 19.140 -7.818 -6.517 1.00 0.00 C ATOM 0 H LEU A 28 18.583 -12.384 -5.229 1.00 0.00 H new ATOM 0 HA LEU A 28 19.897 -10.452 -3.469 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.977 -10.134 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.945 -8.965 -4.430 1.00 0.00 H new ATOM 0 HG LEU A 28 20.334 -8.433 -4.847 1.00 0.00 H new ATOM 0 HD11 LEU A 28 21.444 -9.191 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 28 21.103 -10.530 -5.758 1.00 0.00 H new ATOM 0 HD13 LEU A 28 20.091 -10.300 -7.203 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.944 -7.260 -6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.514 -8.280 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.537 -7.139 -5.915 1.00 0.00 H new ATOM 446 N ASN A 29 18.192 -10.304 -1.814 1.00 0.00 N ATOM 447 CA ASN A 29 17.403 -10.389 -0.637 1.00 0.00 C ATOM 448 C ASN A 29 16.283 -9.336 -0.667 1.00 0.00 C ATOM 449 O ASN A 29 16.530 -8.137 -0.545 1.00 0.00 O ATOM 450 CB ASN A 29 18.325 -10.059 0.539 1.00 0.00 C ATOM 451 CG ASN A 29 17.816 -10.557 1.877 1.00 0.00 C ATOM 452 OD1 ASN A 29 17.247 -11.635 1.973 1.00 0.00 O ATOM 453 ND2 ASN A 29 18.005 -9.764 2.912 1.00 0.00 N ATOM 0 H ASN A 29 19.005 -9.698 -1.707 1.00 0.00 H new ATOM 0 HA ASN A 29 16.959 -11.381 -0.554 1.00 0.00 H new ATOM 0 HB2 ASN A 29 19.307 -10.493 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.458 -8.978 0.591 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.672 -10.042 3.835 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.485 -8.872 2.790 1.00 0.00 H new ATOM 460 N TYR A 30 15.086 -9.823 -0.875 1.00 0.00 N ATOM 461 CA TYR A 30 13.850 -9.045 -0.824 1.00 0.00 C ATOM 462 C TYR A 30 12.985 -9.402 0.374 1.00 0.00 C ATOM 463 O TYR A 30 12.785 -10.569 0.684 1.00 0.00 O ATOM 464 CB TYR A 30 13.023 -9.173 -2.123 1.00 0.00 C ATOM 465 CG TYR A 30 13.465 -8.286 -3.285 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.774 -8.201 -3.712 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.518 -7.506 -3.930 1.00 0.00 C ATOM 468 CE1 TYR A 30 15.125 -7.360 -4.749 1.00 0.00 C ATOM 469 CE2 TYR A 30 12.853 -6.676 -4.966 1.00 0.00 C ATOM 470 CZ TYR A 30 14.155 -6.597 -5.376 1.00 0.00 C ATOM 471 OH TYR A 30 14.501 -5.740 -6.393 1.00 0.00 O ATOM 0 H TYR A 30 14.928 -10.807 -1.093 1.00 0.00 H new ATOM 0 HA TYR A 30 14.166 -8.007 -0.717 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.056 -10.212 -2.451 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.982 -8.945 -1.892 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.533 -8.799 -3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.489 -7.554 -3.607 1.00 0.00 H new ATOM 0 HE1 TYR A 30 16.154 -7.297 -5.070 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.093 -6.087 -5.457 1.00 0.00 H new ATOM 0 HH TYR A 30 13.699 -5.283 -6.722 1.00 0.00 H new ATOM 481 N GLU A 31 12.474 -8.371 1.016 1.00 0.00 N ATOM 482 CA GLU A 31 11.553 -8.496 2.129 1.00 0.00 C ATOM 483 C GLU A 31 10.382 -7.580 1.935 1.00 0.00 C ATOM 484 O GLU A 31 10.483 -6.560 1.245 1.00 0.00 O ATOM 485 CB GLU A 31 12.182 -8.173 3.513 1.00 0.00 C ATOM 486 CG GLU A 31 13.217 -9.149 4.038 1.00 0.00 C ATOM 487 CD GLU A 31 14.623 -8.926 3.499 1.00 0.00 C ATOM 488 OE1 GLU A 31 14.807 -8.060 2.628 1.00 0.00 O ATOM 489 OE2 GLU A 31 15.561 -9.601 4.001 1.00 0.00 O ATOM 0 H GLU A 31 12.691 -7.404 0.775 1.00 0.00 H new ATOM 0 HA GLU A 31 11.253 -9.544 2.136 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.643 -7.187 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.377 -8.105 4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 31 13.243 -9.082 5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.902 -10.162 3.789 1.00 0.00 H new ATOM 496 N CYS A 32 9.266 -7.950 2.519 1.00 0.00 N ATOM 497 CA CYS A 32 8.098 -7.119 2.529 1.00 0.00 C ATOM 498 C CYS A 32 8.164 -6.189 3.747 1.00 0.00 C ATOM 499 O CYS A 32 8.668 -6.583 4.803 1.00 0.00 O ATOM 500 CB CYS A 32 6.814 -7.983 2.599 1.00 0.00 C ATOM 501 SG CYS A 32 6.488 -9.062 1.140 1.00 0.00 S ATOM 0 H CYS A 32 9.148 -8.841 3.001 1.00 0.00 H new ATOM 0 HA CYS A 32 8.066 -6.533 1.611 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.871 -8.613 3.487 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.960 -7.319 2.734 1.00 0.00 H new ATOM 506 N ARG A 33 7.656 -4.974 3.605 1.00 0.00 N ATOM 507 CA ARG A 33 7.675 -4.011 4.705 1.00 0.00 C ATOM 508 C ARG A 33 6.444 -4.285 5.628 1.00 0.00 C ATOM 509 O ARG A 33 5.803 -5.310 5.479 1.00 0.00 O ATOM 510 CB ARG A 33 7.709 -2.542 4.117 1.00 0.00 C ATOM 511 CG ARG A 33 6.360 -1.928 3.636 1.00 0.00 C ATOM 512 CD ARG A 33 5.666 -2.758 2.568 1.00 0.00 C ATOM 513 NE ARG A 33 5.050 -3.930 3.162 1.00 0.00 N ATOM 514 CZ ARG A 33 5.012 -5.136 2.620 1.00 0.00 C ATOM 515 NH1 ARG A 33 5.446 -5.322 1.395 1.00 0.00 N ATOM 516 NH2 ARG A 33 4.585 -6.169 3.343 1.00 0.00 N ATOM 0 H ARG A 33 7.227 -4.629 2.746 1.00 0.00 H new ATOM 0 HA ARG A 33 8.570 -4.119 5.318 1.00 0.00 H new ATOM 0 HB2 ARG A 33 8.125 -1.884 4.880 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.402 -2.532 3.276 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.693 -1.819 4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.544 -0.927 3.246 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.909 -2.156 2.065 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.387 -3.063 1.809 1.00 0.00 H new ATOM 0 HE ARG A 33 4.609 -3.814 4.074 1.00 0.00 H new ATOM 0 HH11 ARG A 33 5.813 -4.536 0.859 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.416 -6.253 0.979 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.290 -6.028 4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.553 -7.102 2.931 1.00 0.00 H new ATOM 530 N PRO A 34 6.123 -3.447 6.605 1.00 0.00 N ATOM 531 CA PRO A 34 4.903 -3.643 7.387 1.00 0.00 C ATOM 532 C PRO A 34 3.625 -3.543 6.508 1.00 0.00 C ATOM 533 O PRO A 34 3.619 -2.808 5.522 1.00 0.00 O ATOM 534 CB PRO A 34 4.919 -2.496 8.405 1.00 0.00 C ATOM 535 CG PRO A 34 6.315 -1.970 8.406 1.00 0.00 C ATOM 536 CD PRO A 34 6.907 -2.301 7.069 1.00 0.00 C ATOM 0 HA PRO A 34 4.879 -4.633 7.843 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.208 -1.717 8.127 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.634 -2.849 9.396 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.322 -0.893 8.575 1.00 0.00 H new ATOM 0 HG3 PRO A 34 6.897 -2.422 9.209 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.830 -1.460 6.380 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.965 -2.549 7.152 1.00 0.00 H new ATOM 544 N GLY A 35 2.593 -4.326 6.834 1.00 0.00 N ATOM 545 CA GLY A 35 1.276 -4.149 6.210 1.00 0.00 C ATOM 546 C GLY A 35 0.931 -5.018 4.980 1.00 0.00 C ATOM 547 O GLY A 35 -0.127 -4.856 4.412 1.00 0.00 O ATOM 0 H GLY A 35 2.641 -5.081 7.518 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.519 -4.334 6.972 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.184 -3.103 5.916 1.00 0.00 H new ATOM 551 N TYR A 36 1.798 -5.873 4.545 1.00 0.00 N ATOM 552 CA TYR A 36 1.444 -6.785 3.443 1.00 0.00 C ATOM 553 C TYR A 36 1.713 -8.231 3.737 1.00 0.00 C ATOM 554 O TYR A 36 2.677 -8.566 4.418 1.00 0.00 O ATOM 555 CB TYR A 36 2.108 -6.460 2.157 1.00 0.00 C ATOM 556 CG TYR A 36 1.781 -5.156 1.483 1.00 0.00 C ATOM 557 CD1 TYR A 36 2.447 -3.992 1.788 1.00 0.00 C ATOM 558 CD2 TYR A 36 0.886 -5.136 0.455 1.00 0.00 C ATOM 559 CE1 TYR A 36 2.228 -2.836 1.092 1.00 0.00 C ATOM 560 CE2 TYR A 36 0.632 -3.987 -0.247 1.00 0.00 C ATOM 561 CZ TYR A 36 1.311 -2.832 0.066 1.00 0.00 C ATOM 562 OH TYR A 36 1.087 -1.696 -0.658 1.00 0.00 O ATOM 0 H TYR A 36 2.745 -5.979 4.910 1.00 0.00 H new ATOM 0 HA TYR A 36 0.369 -6.629 3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.185 -6.483 2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.878 -7.261 1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 36 3.161 -3.991 2.598 1.00 0.00 H new ATOM 0 HD2 TYR A 36 0.366 -6.044 0.188 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.769 -1.936 1.345 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.098 -3.988 -1.043 1.00 0.00 H new ATOM 0 HH TYR A 36 0.135 -1.634 -0.883 1.00 0.00 H new ATOM 572 N SER A 37 0.848 -9.067 3.230 1.00 0.00 N ATOM 573 CA SER A 37 1.043 -10.479 3.189 1.00 0.00 C ATOM 574 C SER A 37 1.955 -10.804 2.023 1.00 0.00 C ATOM 575 O SER A 37 2.260 -9.945 1.234 1.00 0.00 O ATOM 576 CB SER A 37 -0.276 -11.187 3.044 1.00 0.00 C ATOM 577 OG SER A 37 -1.049 -10.660 2.001 1.00 0.00 O ATOM 0 H SER A 37 -0.038 -8.768 2.823 1.00 0.00 H new ATOM 0 HA SER A 37 1.501 -10.818 4.119 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.099 -12.247 2.863 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.831 -11.112 3.979 1.00 0.00 H new ATOM 0 HG SER A 37 -1.504 -11.389 1.530 1.00 0.00 H new ATOM 583 N GLY A 38 2.450 -11.977 1.964 1.00 0.00 N ATOM 584 CA GLY A 38 3.294 -12.323 0.851 1.00 0.00 C ATOM 585 C GLY A 38 4.359 -13.325 1.190 1.00 0.00 C ATOM 586 O GLY A 38 4.347 -13.930 2.267 1.00 0.00 O ATOM 0 H GLY A 38 2.300 -12.716 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 38 2.675 -12.722 0.047 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.767 -11.418 0.470 1.00 0.00 H new ATOM 590 N ARG A 39 5.263 -13.526 0.253 1.00 0.00 N ATOM 591 CA ARG A 39 6.367 -14.443 0.422 1.00 0.00 C ATOM 592 C ARG A 39 7.674 -13.815 -0.030 1.00 0.00 C ATOM 593 O ARG A 39 7.978 -13.780 -1.228 1.00 0.00 O ATOM 594 CB ARG A 39 6.125 -15.733 -0.358 1.00 0.00 C ATOM 595 CG ARG A 39 5.503 -16.850 0.460 1.00 0.00 C ATOM 596 CD ARG A 39 6.482 -17.310 1.512 1.00 0.00 C ATOM 597 NE ARG A 39 5.910 -18.241 2.470 1.00 0.00 N ATOM 598 CZ ARG A 39 5.625 -17.915 3.736 1.00 0.00 C ATOM 599 NH1 ARG A 39 5.654 -16.643 4.121 1.00 0.00 N ATOM 600 NH2 ARG A 39 5.268 -18.854 4.597 1.00 0.00 N ATOM 0 H ARG A 39 5.251 -13.054 -0.651 1.00 0.00 H new ATOM 0 HA ARG A 39 6.438 -14.676 1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.476 -15.515 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.074 -16.082 -0.765 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.584 -16.501 0.931 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.232 -17.683 -0.189 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.334 -17.783 1.022 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.864 -16.440 2.046 1.00 0.00 H new ATOM 0 HE ARG A 39 5.715 -19.193 2.161 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.894 -15.913 3.451 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.436 -16.397 5.087 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.210 -19.827 4.296 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.051 -18.605 5.562 1.00 0.00 H new ATOM 614 N PRO A 40 8.464 -13.298 0.914 1.00 0.00 N ATOM 615 CA PRO A 40 9.728 -12.666 0.599 1.00 0.00 C ATOM 616 C PRO A 40 10.872 -13.675 0.437 1.00 0.00 C ATOM 617 O PRO A 40 11.261 -14.348 1.382 1.00 0.00 O ATOM 618 CB PRO A 40 9.967 -11.736 1.792 1.00 0.00 C ATOM 619 CG PRO A 40 9.045 -12.204 2.901 1.00 0.00 C ATOM 620 CD PRO A 40 8.168 -13.284 2.349 1.00 0.00 C ATOM 0 HA PRO A 40 9.697 -12.143 -0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.008 -11.776 2.112 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.756 -10.701 1.524 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.624 -12.578 3.746 1.00 0.00 H new ATOM 0 HG3 PRO A 40 8.442 -11.375 3.270 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.387 -14.248 2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.115 -13.074 2.535 1.00 0.00 H new ATOM 628 N PHE A 41 11.371 -13.761 -0.793 1.00 0.00 N ATOM 629 CA PHE A 41 12.490 -14.614 -1.186 1.00 0.00 C ATOM 630 C PHE A 41 13.371 -13.966 -2.227 1.00 0.00 C ATOM 631 O PHE A 41 12.971 -12.994 -2.859 1.00 0.00 O ATOM 632 CB PHE A 41 12.120 -16.049 -1.549 1.00 0.00 C ATOM 633 CG PHE A 41 11.711 -16.891 -0.363 1.00 0.00 C ATOM 634 CD1 PHE A 41 12.698 -17.486 0.424 1.00 0.00 C ATOM 635 CD2 PHE A 41 10.392 -17.089 -0.026 1.00 0.00 C ATOM 636 CE1 PHE A 41 12.371 -18.260 1.515 1.00 0.00 C ATOM 637 CE2 PHE A 41 10.067 -17.867 1.075 1.00 0.00 C ATOM 638 CZ PHE A 41 11.065 -18.451 1.838 1.00 0.00 C ATOM 0 H PHE A 41 10.994 -13.220 -1.571 1.00 0.00 H new ATOM 0 HA PHE A 41 13.079 -14.714 -0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.303 -16.032 -2.270 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.970 -16.520 -2.042 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.738 -17.337 0.173 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.610 -16.639 -0.619 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.149 -18.713 2.111 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.031 -18.018 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.804 -19.059 2.691 1.00 0.00 H new ATOM 648 N SER A 42 14.570 -14.489 -2.390 1.00 0.00 N ATOM 649 CA SER A 42 15.565 -13.878 -3.247 1.00 0.00 C ATOM 650 C SER A 42 15.177 -13.877 -4.744 1.00 0.00 C ATOM 651 O SER A 42 14.564 -14.823 -5.255 1.00 0.00 O ATOM 652 CB SER A 42 16.875 -14.651 -3.097 1.00 0.00 C ATOM 653 OG SER A 42 17.174 -14.860 -1.737 1.00 0.00 O ATOM 0 H SER A 42 14.881 -15.347 -1.934 1.00 0.00 H new ATOM 0 HA SER A 42 15.656 -12.838 -2.935 1.00 0.00 H new ATOM 0 HB2 SER A 42 16.798 -15.610 -3.610 1.00 0.00 H new ATOM 0 HB3 SER A 42 17.686 -14.099 -3.573 1.00 0.00 H new ATOM 0 HG SER A 42 18.015 -15.358 -1.660 1.00 0.00 H new ATOM 659 N ILE A 43 15.566 -12.807 -5.429 1.00 0.00 N ATOM 660 CA ILE A 43 15.438 -12.733 -6.864 1.00 0.00 C ATOM 661 C ILE A 43 16.799 -12.895 -7.510 1.00 0.00 C ATOM 662 O ILE A 43 17.781 -12.289 -7.098 1.00 0.00 O ATOM 663 CB ILE A 43 14.748 -11.446 -7.399 1.00 0.00 C ATOM 664 CG1 ILE A 43 15.505 -10.187 -6.998 1.00 0.00 C ATOM 665 CG2 ILE A 43 13.285 -11.362 -6.963 1.00 0.00 C ATOM 666 CD1 ILE A 43 14.958 -8.956 -7.657 1.00 0.00 C ATOM 0 H ILE A 43 15.975 -11.977 -5.001 1.00 0.00 H new ATOM 0 HA ILE A 43 14.773 -13.552 -7.139 1.00 0.00 H new ATOM 0 HB ILE A 43 14.768 -11.512 -8.487 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.458 -10.068 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.557 -10.300 -7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.840 -10.449 -7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.741 -12.226 -7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 43 13.230 -11.352 -5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.533 -8.087 -7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 43 15.029 -9.061 -8.740 1.00 0.00 H new ATOM 0 HD13 ILE A 43 13.914 -8.825 -7.373 1.00 0.00 H new ATOM 678 N ILE A 44 16.843 -13.780 -8.461 1.00 0.00 N ATOM 679 CA ILE A 44 18.055 -14.185 -9.145 1.00 0.00 C ATOM 680 C ILE A 44 17.920 -13.894 -10.640 1.00 0.00 C ATOM 681 O ILE A 44 16.889 -14.205 -11.220 1.00 0.00 O ATOM 682 CB ILE A 44 18.298 -15.700 -8.962 1.00 0.00 C ATOM 683 CG1 ILE A 44 18.093 -16.114 -7.510 1.00 0.00 C ATOM 684 CG2 ILE A 44 19.711 -16.054 -9.383 1.00 0.00 C ATOM 685 CD1 ILE A 44 16.711 -16.695 -7.227 1.00 0.00 C ATOM 0 H ILE A 44 16.011 -14.262 -8.801 1.00 0.00 H new ATOM 0 HA ILE A 44 18.891 -13.628 -8.723 1.00 0.00 H new ATOM 0 HB ILE A 44 17.581 -16.233 -9.586 1.00 0.00 H new ATOM 0 HG12 ILE A 44 18.849 -16.852 -7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 44 18.251 -15.247 -6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 44 19.873 -17.124 -9.250 1.00 0.00 H new ATOM 0 HG22 ILE A 44 19.855 -15.792 -10.431 1.00 0.00 H new ATOM 0 HG23 ILE A 44 20.423 -15.501 -8.770 1.00 0.00 H new ATOM 0 HD11 ILE A 44 16.639 -16.967 -6.174 1.00 0.00 H new ATOM 0 HD12 ILE A 44 15.949 -15.952 -7.463 1.00 0.00 H new ATOM 0 HD13 ILE A 44 16.556 -17.582 -7.842 1.00 0.00 H new ATOM 697 N CYS A 45 18.911 -13.242 -11.249 1.00 0.00 N ATOM 698 CA CYS A 45 18.870 -12.941 -12.717 1.00 0.00 C ATOM 699 C CYS A 45 18.804 -14.231 -13.557 1.00 0.00 C ATOM 700 O CYS A 45 19.808 -14.682 -14.101 1.00 0.00 O ATOM 701 CB CYS A 45 20.115 -12.151 -13.120 1.00 0.00 C ATOM 702 SG CYS A 45 20.273 -10.554 -12.305 1.00 0.00 S ATOM 0 H CYS A 45 19.749 -12.908 -10.774 1.00 0.00 H new ATOM 0 HA CYS A 45 17.971 -12.355 -12.909 1.00 0.00 H new ATOM 0 HB2 CYS A 45 20.999 -12.749 -12.897 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.099 -11.996 -14.199 1.00 0.00 H new ATOM 707 N LEU A 46 17.620 -14.846 -13.611 1.00 0.00 N ATOM 708 CA LEU A 46 17.463 -16.088 -14.344 1.00 0.00 C ATOM 709 C LEU A 46 16.862 -15.877 -15.729 1.00 0.00 C ATOM 710 O LEU A 46 17.475 -16.242 -16.743 1.00 0.00 O ATOM 711 CB LEU A 46 16.592 -17.067 -13.556 1.00 0.00 C ATOM 712 CG LEU A 46 17.082 -17.436 -12.165 1.00 0.00 C ATOM 713 CD1 LEU A 46 16.100 -18.373 -11.497 1.00 0.00 C ATOM 714 CD2 LEU A 46 18.470 -18.043 -12.204 1.00 0.00 C ATOM 0 H LEU A 46 16.771 -14.504 -13.160 1.00 0.00 H new ATOM 0 HA LEU A 46 18.463 -16.502 -14.475 1.00 0.00 H new ATOM 0 HB2 LEU A 46 15.594 -16.639 -13.465 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.494 -17.983 -14.138 1.00 0.00 H new ATOM 0 HG LEU A 46 17.147 -16.521 -11.577 1.00 0.00 H new ATOM 0 HD11 LEU A 46 16.462 -18.630 -10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 46 15.129 -17.884 -11.415 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.000 -19.281 -12.092 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.786 -18.294 -11.191 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.455 -18.946 -12.814 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.169 -17.326 -12.635 1.00 0.00 H new ATOM 726 N LYS A 47 15.660 -15.266 -15.775 1.00 0.00 N ATOM 727 CA LYS A 47 14.960 -15.114 -17.030 1.00 0.00 C ATOM 728 C LYS A 47 15.454 -13.991 -17.871 1.00 0.00 C ATOM 729 O LYS A 47 15.441 -12.850 -17.452 1.00 0.00 O ATOM 730 CB LYS A 47 13.499 -15.043 -16.807 1.00 0.00 C ATOM 731 CG LYS A 47 12.764 -14.554 -18.018 1.00 0.00 C ATOM 732 CD LYS A 47 11.325 -14.667 -17.805 1.00 0.00 C ATOM 733 CE LYS A 47 11.052 -16.144 -17.854 1.00 0.00 C ATOM 734 NZ LYS A 47 9.591 -16.459 -17.868 1.00 0.00 N ATOM 0 H LYS A 47 15.176 -14.882 -14.964 1.00 0.00 H new ATOM 0 HA LYS A 47 15.179 -16.009 -17.612 1.00 0.00 H new ATOM 0 HB2 LYS A 47 13.127 -16.030 -16.532 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.293 -14.380 -15.967 1.00 0.00 H new ATOM 0 HG2 LYS A 47 13.030 -13.517 -18.221 1.00 0.00 H new ATOM 0 HG3 LYS A 47 13.058 -15.135 -18.892 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.031 -14.241 -16.846 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.767 -14.134 -18.575 1.00 0.00 H new ATOM 0 HE2 LYS A 47 11.519 -16.567 -18.743 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.515 -16.624 -16.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 9.458 -17.490 -17.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.146 -16.081 -17.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.150 -16.026 -18.704 1.00 0.00 H new ATOM 748 N ASN A 48 15.893 -14.351 -19.097 1.00 0.00 N ATOM 749 CA ASN A 48 16.412 -13.387 -20.089 1.00 0.00 C ATOM 750 C ASN A 48 17.541 -12.560 -19.491 1.00 0.00 C ATOM 751 O ASN A 48 17.726 -11.385 -19.856 1.00 0.00 O ATOM 752 CB ASN A 48 15.292 -12.481 -20.634 1.00 0.00 C ATOM 753 CG ASN A 48 14.344 -13.223 -21.559 1.00 0.00 C ATOM 754 OD1 ASN A 48 14.686 -14.283 -22.108 1.00 0.00 O ATOM 755 ND2 ASN A 48 13.147 -12.672 -21.742 1.00 0.00 N ATOM 0 H ASN A 48 15.897 -15.317 -19.425 1.00 0.00 H new ATOM 0 HA ASN A 48 16.811 -13.954 -20.930 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.728 -12.063 -19.800 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.736 -11.642 -21.170 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.467 -13.122 -22.354 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.910 -11.800 -21.270 1.00 0.00 H new ATOM 762 N SER A 49 18.331 -13.191 -18.609 1.00 0.00 N ATOM 763 CA SER A 49 19.381 -12.491 -17.862 1.00 0.00 C ATOM 764 C SER A 49 18.807 -11.312 -17.081 1.00 0.00 C ATOM 765 O SER A 49 19.528 -10.393 -16.678 1.00 0.00 O ATOM 766 CB SER A 49 20.515 -12.041 -18.785 1.00 0.00 C ATOM 767 OG SER A 49 21.051 -13.145 -19.492 1.00 0.00 O ATOM 0 H SER A 49 18.260 -14.186 -18.397 1.00 0.00 H new ATOM 0 HA SER A 49 19.800 -13.195 -17.144 1.00 0.00 H new ATOM 0 HB2 SER A 49 20.144 -11.297 -19.490 1.00 0.00 H new ATOM 0 HB3 SER A 49 21.299 -11.562 -18.199 1.00 0.00 H new ATOM 0 HG SER A 49 21.774 -12.838 -20.078 1.00 0.00 H new ATOM 773 N VAL A 50 17.504 -11.349 -16.858 1.00 0.00 N ATOM 774 CA VAL A 50 16.850 -10.324 -16.090 1.00 0.00 C ATOM 775 C VAL A 50 16.694 -10.812 -14.659 1.00 0.00 C ATOM 776 O VAL A 50 17.613 -10.697 -13.888 1.00 0.00 O ATOM 777 CB VAL A 50 15.459 -9.919 -16.689 1.00 0.00 C ATOM 778 CG1 VAL A 50 14.814 -8.788 -15.888 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.595 -9.518 -18.151 1.00 0.00 C ATOM 0 H VAL A 50 16.884 -12.083 -17.202 1.00 0.00 H new ATOM 0 HA VAL A 50 17.469 -9.427 -16.119 1.00 0.00 H new ATOM 0 HB VAL A 50 14.809 -10.792 -16.625 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.851 -8.532 -16.330 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.666 -9.111 -14.858 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.465 -7.914 -15.904 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.617 -9.241 -18.545 1.00 0.00 H new ATOM 0 HG22 VAL A 50 16.273 -8.669 -18.234 1.00 0.00 H new ATOM 0 HG23 VAL A 50 15.992 -10.357 -18.723 1.00 0.00 H new ATOM 789 N TRP A 51 15.527 -11.395 -14.326 1.00 0.00 N ATOM 790 CA TRP A 51 15.239 -11.866 -12.956 1.00 0.00 C ATOM 791 C TRP A 51 14.286 -13.034 -12.966 1.00 0.00 C ATOM 792 O TRP A 51 13.794 -13.422 -14.019 1.00 0.00 O ATOM 793 CB TRP A 51 14.747 -10.737 -12.051 1.00 0.00 C ATOM 794 CG TRP A 51 15.815 -9.695 -11.841 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.891 -8.516 -12.484 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.949 -9.738 -10.946 1.00 0.00 C ATOM 797 NE1 TRP A 51 17.017 -7.824 -12.101 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.674 -8.539 -11.144 1.00 0.00 C ATOM 799 CE3 TRP A 51 17.424 -10.661 -10.017 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.837 -8.240 -10.441 1.00 0.00 C ATOM 801 CZ3 TRP A 51 18.576 -10.364 -9.318 1.00 0.00 C ATOM 802 CH2 TRP A 51 19.273 -9.160 -9.534 1.00 0.00 C ATOM 0 H TRP A 51 14.767 -11.552 -14.987 1.00 0.00 H new ATOM 0 HA TRP A 51 16.180 -12.217 -12.532 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.865 -10.273 -12.493 1.00 0.00 H new ATOM 0 HB3 TRP A 51 14.442 -11.147 -11.088 1.00 0.00 H new ATOM 0 HD1 TRP A 51 15.167 -8.161 -13.203 1.00 0.00 H new ATOM 0 HE1 TRP A 51 17.313 -6.921 -12.473 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.901 -11.591 -9.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.372 -7.317 -10.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.950 -11.069 -8.591 1.00 0.00 H new ATOM 0 HH2 TRP A 51 20.172 -8.961 -8.969 1.00 0.00 H new ATOM 813 N THR A 52 14.059 -13.613 -11.794 1.00 0.00 N ATOM 814 CA THR A 52 13.207 -14.778 -11.647 1.00 0.00 C ATOM 815 C THR A 52 11.745 -14.423 -12.006 1.00 0.00 C ATOM 816 O THR A 52 11.008 -15.245 -12.540 1.00 0.00 O ATOM 817 CB THR A 52 13.275 -15.291 -10.193 1.00 0.00 C ATOM 818 OG1 THR A 52 12.845 -14.251 -9.284 1.00 0.00 O ATOM 819 CG2 THR A 52 14.682 -15.628 -9.847 1.00 0.00 C ATOM 0 H THR A 52 14.464 -13.284 -10.918 1.00 0.00 H new ATOM 0 HA THR A 52 13.556 -15.557 -12.324 1.00 0.00 H new ATOM 0 HB THR A 52 12.633 -16.167 -10.107 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.889 -14.583 -8.363 1.00 0.00 H new ATOM 0 HG21 THR A 52 14.727 -15.990 -8.820 1.00 0.00 H new ATOM 0 HG22 THR A 52 15.047 -16.403 -10.521 1.00 0.00 H new ATOM 0 HG23 THR A 52 15.304 -14.738 -9.946 1.00 0.00 H new ATOM 827 N GLY A 53 11.347 -13.194 -11.717 1.00 0.00 N ATOM 828 CA GLY A 53 10.011 -12.741 -12.094 1.00 0.00 C ATOM 829 C GLY A 53 9.445 -11.667 -11.156 1.00 0.00 C ATOM 830 O GLY A 53 8.661 -10.818 -11.589 1.00 0.00 O ATOM 0 H GLY A 53 11.916 -12.501 -11.231 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.042 -12.346 -13.109 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.335 -13.596 -12.105 1.00 0.00 H new ATOM 834 N ALA A 54 9.860 -11.710 -9.875 1.00 0.00 N ATOM 835 CA ALA A 54 9.483 -10.703 -8.859 1.00 0.00 C ATOM 836 C ALA A 54 7.976 -10.291 -8.903 1.00 0.00 C ATOM 837 O ALA A 54 7.640 -9.142 -8.671 1.00 0.00 O ATOM 838 CB ALA A 54 10.379 -9.479 -8.997 1.00 0.00 C ATOM 0 H ALA A 54 10.468 -12.445 -9.513 1.00 0.00 H new ATOM 0 HA ALA A 54 9.629 -11.170 -7.885 1.00 0.00 H new ATOM 0 HB1 ALA A 54 10.100 -8.738 -8.248 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.419 -9.771 -8.849 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.260 -9.051 -9.992 1.00 0.00 H new ATOM 844 N LYS A 55 7.090 -11.248 -9.161 1.00 0.00 N ATOM 845 CA LYS A 55 5.683 -10.999 -9.194 1.00 0.00 C ATOM 846 C LYS A 55 5.060 -10.769 -7.852 1.00 0.00 C ATOM 847 O LYS A 55 5.320 -11.506 -6.915 1.00 0.00 O ATOM 848 CB LYS A 55 4.958 -12.124 -9.866 1.00 0.00 C ATOM 849 CG LYS A 55 3.499 -11.887 -9.870 1.00 0.00 C ATOM 850 CD LYS A 55 2.727 -12.969 -10.506 1.00 0.00 C ATOM 851 CE LYS A 55 1.304 -12.578 -10.448 1.00 0.00 C ATOM 852 NZ LYS A 55 0.412 -13.598 -11.064 1.00 0.00 N ATOM 0 H LYS A 55 7.346 -12.217 -9.352 1.00 0.00 H new ATOM 0 HA LYS A 55 5.582 -10.072 -9.759 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.315 -12.231 -10.890 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.176 -13.060 -9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.157 -11.763 -8.843 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.293 -10.951 -10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.045 -13.114 -11.538 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.888 -13.914 -9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.014 -12.425 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.170 -11.625 -10.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.576 -13.280 -11.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.670 -13.727 -12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.518 -14.502 -10.560 1.00 0.00 H new ATOM 866 N ASP A 56 4.188 -9.712 -7.838 1.00 0.00 N ATOM 867 CA ASP A 56 3.311 -9.275 -6.696 1.00 0.00 C ATOM 868 C ASP A 56 3.592 -10.097 -5.466 1.00 0.00 C ATOM 869 O ASP A 56 2.824 -10.977 -5.054 1.00 0.00 O ATOM 870 CB ASP A 56 1.831 -9.362 -7.134 1.00 0.00 C ATOM 871 CG ASP A 56 0.828 -8.866 -6.111 1.00 0.00 C ATOM 872 OD1 ASP A 56 1.219 -8.564 -4.981 1.00 0.00 O ATOM 873 OD2 ASP A 56 -0.383 -8.755 -6.469 1.00 0.00 O ATOM 0 H ASP A 56 4.071 -9.114 -8.656 1.00 0.00 H new ATOM 0 HA ASP A 56 3.529 -8.240 -6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.705 -8.787 -8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.599 -10.400 -7.374 1.00 0.00 H new ATOM 878 N ARG A 57 4.772 -9.874 -4.967 1.00 0.00 N ATOM 879 CA ARG A 57 5.289 -10.618 -3.832 1.00 0.00 C ATOM 880 C ARG A 57 4.487 -10.366 -2.547 1.00 0.00 C ATOM 881 O ARG A 57 4.287 -11.281 -1.749 1.00 0.00 O ATOM 882 CB ARG A 57 6.760 -10.311 -3.576 1.00 0.00 C ATOM 883 CG ARG A 57 7.670 -10.681 -4.744 1.00 0.00 C ATOM 884 CD ARG A 57 7.654 -12.167 -5.075 1.00 0.00 C ATOM 885 NE ARG A 57 8.297 -13.022 -4.099 1.00 0.00 N ATOM 886 CZ ARG A 57 8.593 -14.308 -4.327 1.00 0.00 C ATOM 887 NH1 ARG A 57 8.382 -14.851 -5.532 1.00 0.00 N ATOM 888 NH2 ARG A 57 9.093 -15.044 -3.366 1.00 0.00 N ATOM 0 H ARG A 57 5.414 -9.170 -5.330 1.00 0.00 H new ATOM 0 HA ARG A 57 5.185 -11.670 -4.099 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.870 -9.248 -3.363 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.086 -10.850 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.365 -10.117 -5.625 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.691 -10.379 -4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.618 -12.487 -5.188 1.00 0.00 H new ATOM 0 HD3 ARG A 57 8.140 -12.314 -6.039 1.00 0.00 H new ATOM 0 HE ARG A 57 8.537 -12.624 -3.191 1.00 0.00 H new ATOM 0 HH11 ARG A 57 7.993 -14.284 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 57 8.610 -15.831 -5.697 1.00 0.00 H new ATOM 0 HH21 ARG A 57 9.257 -14.638 -2.445 1.00 0.00 H new ATOM 0 HH22 ARG A 57 9.319 -16.024 -3.539 1.00 0.00 H new ATOM 902 N CYS A 58 4.058 -9.114 -2.335 1.00 0.00 N ATOM 903 CA CYS A 58 3.433 -8.720 -1.052 1.00 0.00 C ATOM 904 C CYS A 58 2.001 -8.295 -1.379 1.00 0.00 C ATOM 905 O CYS A 58 1.770 -7.702 -2.410 1.00 0.00 O ATOM 906 CB CYS A 58 4.199 -7.507 -0.521 1.00 0.00 C ATOM 907 SG CYS A 58 6.054 -7.746 -0.363 1.00 0.00 S ATOM 0 H CYS A 58 4.128 -8.362 -3.021 1.00 0.00 H new ATOM 0 HA CYS A 58 3.447 -9.526 -0.318 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.012 -6.661 -1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.797 -7.242 0.457 1.00 0.00 H new ATOM 912 N ARG A 59 1.063 -8.546 -0.485 1.00 0.00 N ATOM 913 CA ARG A 59 -0.312 -8.432 -0.854 1.00 0.00 C ATOM 914 C ARG A 59 -1.070 -7.491 0.151 1.00 0.00 C ATOM 915 O ARG A 59 -0.897 -7.599 1.366 1.00 0.00 O ATOM 916 CB ARG A 59 -0.814 -9.869 -0.755 1.00 0.00 C ATOM 917 CG ARG A 59 -0.053 -10.791 -1.708 1.00 0.00 C ATOM 918 CD ARG A 59 -0.498 -12.213 -1.633 1.00 0.00 C ATOM 919 NE ARG A 59 0.268 -13.080 -2.558 1.00 0.00 N ATOM 920 CZ ARG A 59 1.263 -13.917 -2.200 1.00 0.00 C ATOM 921 NH1 ARG A 59 1.476 -14.205 -0.920 1.00 0.00 N ATOM 922 NH2 ARG A 59 2.014 -14.503 -3.145 1.00 0.00 N ATOM 0 H ARG A 59 1.235 -8.824 0.481 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.467 -7.998 -1.842 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.700 -10.226 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.878 -9.901 -0.987 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.179 -10.431 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.012 -10.738 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -0.380 -12.577 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.560 -12.275 -1.873 1.00 0.00 H new ATOM 0 HE ARG A 59 0.023 -13.041 -3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.884 -13.792 -0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 59 2.231 -14.839 -0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.832 -14.315 -4.131 1.00 0.00 H new ATOM 0 HH22 ARG A 59 2.767 -15.137 -2.878 1.00 0.00 H new ATOM 936 N ARG A 60 -1.917 -6.594 -0.386 1.00 0.00 N ATOM 937 CA ARG A 60 -2.703 -5.626 0.421 1.00 0.00 C ATOM 938 C ARG A 60 -4.084 -6.182 0.835 1.00 0.00 C ATOM 939 O ARG A 60 -4.605 -7.123 0.221 1.00 0.00 O ATOM 940 CB ARG A 60 -2.932 -4.315 -0.372 1.00 0.00 C ATOM 941 CG ARG A 60 -3.767 -4.511 -1.636 1.00 0.00 C ATOM 942 CD ARG A 60 -4.014 -3.198 -2.376 1.00 0.00 C ATOM 943 NE ARG A 60 -4.850 -3.379 -3.577 1.00 0.00 N ATOM 944 CZ ARG A 60 -5.329 -2.377 -4.332 1.00 0.00 C ATOM 945 NH1 ARG A 60 -5.139 -1.101 -3.975 1.00 0.00 N ATOM 946 NH2 ARG A 60 -6.017 -2.645 -5.426 1.00 0.00 N ATOM 0 H ARG A 60 -2.080 -6.515 -1.390 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.117 -5.437 1.321 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.428 -3.590 0.274 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.966 -3.890 -0.645 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.258 -5.210 -2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.723 -4.962 -1.371 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.498 -2.490 -1.703 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.058 -2.761 -2.664 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.081 -4.333 -3.854 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.626 -0.881 -3.121 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.508 -0.348 -4.557 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.185 -3.613 -5.698 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -6.381 -1.884 -5.999 1.00 0.00 H new ATOM 960 N LYS A 61 -4.648 -5.586 1.899 1.00 0.00 N ATOM 961 CA LYS A 61 -5.978 -5.920 2.380 1.00 0.00 C ATOM 962 C LYS A 61 -7.058 -4.971 2.019 1.00 0.00 C ATOM 963 O LYS A 61 -6.840 -3.797 1.705 1.00 0.00 O ATOM 964 CB LYS A 61 -6.106 -6.275 3.836 1.00 0.00 C ATOM 965 CG LYS A 61 -5.872 -7.740 4.105 1.00 0.00 C ATOM 966 CD LYS A 61 -6.501 -8.142 5.412 1.00 0.00 C ATOM 967 CE LYS A 61 -8.050 -8.095 5.302 1.00 0.00 C ATOM 968 NZ LYS A 61 -8.709 -8.582 6.539 1.00 0.00 N ATOM 0 H LYS A 61 -4.184 -4.859 2.444 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.125 -6.838 1.810 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.392 -5.686 4.412 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.101 -6.001 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.291 -8.336 3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.802 -7.945 4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.179 -9.147 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.166 -7.474 6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.368 -7.072 5.100 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.372 -8.702 4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.742 -8.534 6.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.426 -9.566 6.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.422 -7.987 7.342 1.00 0.00 H new ATOM 982 N SER A 62 -8.241 -5.530 2.029 1.00 0.00 N ATOM 983 CA SER A 62 -9.424 -4.838 1.710 1.00 0.00 C ATOM 984 C SER A 62 -9.778 -3.868 2.816 1.00 0.00 C ATOM 985 O SER A 62 -9.600 -4.173 3.983 1.00 0.00 O ATOM 986 CB SER A 62 -10.502 -5.898 1.619 1.00 0.00 C ATOM 987 OG SER A 62 -10.473 -6.736 2.771 1.00 0.00 O ATOM 0 H SER A 62 -8.392 -6.510 2.269 1.00 0.00 H new ATOM 0 HA SER A 62 -9.316 -4.271 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.480 -5.425 1.530 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.356 -6.498 0.721 1.00 0.00 H new ATOM 0 HG SER A 62 -11.176 -7.415 2.699 1.00 0.00 H new ATOM 993 N CYS A 63 -10.402 -2.781 2.435 1.00 0.00 N ATOM 994 CA CYS A 63 -10.810 -1.719 3.356 1.00 0.00 C ATOM 995 C CYS A 63 -12.289 -1.800 3.640 1.00 0.00 C ATOM 996 O CYS A 63 -12.998 -2.629 3.061 1.00 0.00 O ATOM 997 CB CYS A 63 -10.360 -0.328 2.821 1.00 0.00 C ATOM 998 SG CYS A 63 -8.554 0.004 3.049 1.00 0.00 S ATOM 0 H CYS A 63 -10.650 -2.595 1.463 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.307 -1.858 4.313 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.602 -0.260 1.760 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.931 0.449 3.329 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.738 -0.991 4.561 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.091 -1.054 5.054 1.00 0.00 C ATOM 1005 C ARG A 64 -14.644 0.350 5.200 1.00 0.00 C ATOM 1006 O ARG A 64 -13.910 1.268 5.089 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.045 -1.689 6.388 1.00 0.00 C ATOM 1008 CG ARG A 64 -13.286 -0.845 7.421 1.00 0.00 C ATOM 1009 CD ARG A 64 -13.298 -1.535 8.742 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.639 -0.805 9.828 1.00 0.00 N ATOM 1011 CZ ARG A 64 -11.364 -0.933 10.160 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -10.537 -1.649 9.402 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -10.914 -0.340 11.256 1.00 0.00 N ATOM 0 H ARG A 64 -12.172 -0.262 4.995 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.723 -1.618 4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.062 -1.858 6.740 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -13.570 -2.666 6.304 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.259 -0.687 7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -13.747 0.139 7.510 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -14.333 -1.724 9.027 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.815 -2.506 8.632 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.204 -0.150 10.368 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.884 -2.104 8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.556 -1.742 9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.548 0.209 11.836 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -9.933 -0.433 11.520 1.00 0.00 H new ATOM 1027 N ASN A 65 -15.932 0.530 5.375 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.403 1.876 5.584 1.00 0.00 C ATOM 1029 C ASN A 65 -17.440 2.033 6.744 1.00 0.00 C ATOM 1030 O ASN A 65 -18.470 2.651 6.549 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.912 2.454 4.281 1.00 0.00 C ATOM 1032 CG ASN A 65 -16.922 3.967 4.271 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -17.940 4.614 4.529 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -15.773 4.545 3.988 1.00 0.00 N ATOM 0 H ASN A 65 -16.643 -0.201 5.378 1.00 0.00 H new ATOM 0 HA ASN A 65 -15.543 2.454 5.922 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.289 2.095 3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -17.922 2.088 4.097 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -15.703 5.563 3.977 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -14.953 3.975 3.780 1.00 0.00 H new ATOM 1041 N PRO A 66 -17.174 1.440 7.978 1.00 0.00 N ATOM 1042 CA PRO A 66 -17.970 1.721 9.199 1.00 0.00 C ATOM 1043 C PRO A 66 -17.558 3.059 9.981 1.00 0.00 C ATOM 1044 O PRO A 66 -18.210 3.394 10.963 1.00 0.00 O ATOM 1045 CB PRO A 66 -17.709 0.482 10.098 1.00 0.00 C ATOM 1046 CG PRO A 66 -16.835 -0.434 9.289 1.00 0.00 C ATOM 1047 CD PRO A 66 -16.173 0.425 8.252 1.00 0.00 C ATOM 0 HA PRO A 66 -19.014 1.887 8.934 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.219 0.770 11.028 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.644 -0.008 10.369 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.093 -0.922 9.921 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -17.425 -1.223 8.822 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.246 0.863 8.623 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.921 -0.145 7.358 1.00 0.00 H new ATOM 1055 N PRO A 67 -16.443 3.819 9.578 1.00 0.00 N ATOM 1056 CA PRO A 67 -16.099 5.144 10.152 1.00 0.00 C ATOM 1057 C PRO A 67 -17.053 6.207 9.671 1.00 0.00 C ATOM 1058 O PRO A 67 -16.894 7.387 10.005 1.00 0.00 O ATOM 1059 CB PRO A 67 -14.687 5.413 9.653 1.00 0.00 C ATOM 1060 CG PRO A 67 -14.613 4.660 8.397 1.00 0.00 C ATOM 1061 CD PRO A 67 -15.370 3.415 8.644 1.00 0.00 C ATOM 0 HA PRO A 67 -16.166 5.155 11.240 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -14.515 6.477 9.493 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -13.938 5.073 10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.046 5.227 7.573 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.579 4.445 8.128 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.780 3.008 7.719 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.735 2.643 9.078 1.00 0.00 H new ATOM 1069 N ASP A 68 -17.901 5.786 8.727 1.00 0.00 N ATOM 1070 CA ASP A 68 -18.932 6.591 8.101 1.00 0.00 C ATOM 1071 C ASP A 68 -19.435 7.726 8.968 1.00 0.00 C ATOM 1072 O ASP A 68 -19.516 7.627 10.211 1.00 0.00 O ATOM 1073 CB ASP A 68 -20.121 5.714 7.651 1.00 0.00 C ATOM 1074 CG ASP A 68 -20.742 4.869 8.763 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -21.601 5.385 9.509 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -20.395 3.678 8.870 1.00 0.00 O ATOM 0 H ASP A 68 -17.879 4.831 8.369 1.00 0.00 H new ATOM 0 HA ASP A 68 -18.456 7.046 7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.892 6.358 7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.786 5.052 6.853 1.00 0.00 H new ATOM 1081 N PRO A 69 -19.803 8.824 8.315 1.00 0.00 N ATOM 1082 CA PRO A 69 -20.287 10.018 8.978 1.00 0.00 C ATOM 1083 C PRO A 69 -21.604 9.773 9.668 1.00 0.00 C ATOM 1084 O PRO A 69 -22.368 8.913 9.246 1.00 0.00 O ATOM 1085 CB PRO A 69 -20.409 11.015 7.840 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.744 10.162 6.688 1.00 0.00 C ATOM 1087 CD PRO A 69 -19.879 8.961 6.850 1.00 0.00 C ATOM 0 HA PRO A 69 -19.629 10.368 9.773 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.185 11.755 8.033 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -19.480 11.562 7.681 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -21.800 9.893 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.544 10.671 5.745 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -20.316 8.079 6.381 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -18.895 9.105 6.403 1.00 0.00 H new ATOM 1095 N VAL A 70 -21.881 10.528 10.723 1.00 0.00 N ATOM 1096 CA VAL A 70 -23.026 10.262 11.534 1.00 0.00 C ATOM 1097 C VAL A 70 -24.318 10.386 10.711 1.00 0.00 C ATOM 1098 O VAL A 70 -25.188 9.535 10.803 1.00 0.00 O ATOM 1099 CB VAL A 70 -23.055 11.247 12.740 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -24.330 11.105 13.540 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -21.818 11.062 13.616 1.00 0.00 C ATOM 0 H VAL A 70 -21.320 11.325 11.024 1.00 0.00 H new ATOM 0 HA VAL A 70 -22.961 9.240 11.908 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.037 12.263 12.346 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -24.317 11.807 14.374 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -25.187 11.318 12.900 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -24.407 10.088 13.924 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.857 11.759 14.453 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -21.790 10.041 13.996 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -20.922 11.254 13.026 1.00 0.00 H new ATOM 1111 N ASN A 71 -24.450 11.460 9.922 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.609 11.577 9.011 1.00 0.00 C ATOM 1113 C ASN A 71 -25.548 10.471 7.946 1.00 0.00 C ATOM 1114 O ASN A 71 -26.543 9.830 7.633 1.00 0.00 O ATOM 1115 CB ASN A 71 -25.700 13.001 8.420 1.00 0.00 C ATOM 1116 CG ASN A 71 -26.896 13.215 7.464 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -27.262 12.354 6.684 1.00 0.00 O ATOM 1118 ND2 ASN A 71 -27.550 14.364 7.587 1.00 0.00 N ATOM 0 H ASN A 71 -23.794 12.241 9.890 1.00 0.00 H new ATOM 0 HA ASN A 71 -26.534 11.428 9.567 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -25.770 13.718 9.238 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -24.777 13.219 7.883 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -28.380 14.542 7.021 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -27.223 15.069 8.248 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.330 10.215 7.448 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.122 9.134 6.468 1.00 0.00 C ATOM 1127 C GLY A 72 -23.796 9.594 5.038 1.00 0.00 C ATOM 1128 O GLY A 72 -24.230 8.961 4.068 1.00 0.00 O ATOM 0 H GLY A 72 -23.486 10.730 7.700 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.310 8.498 6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.020 8.517 6.437 1.00 0.00 H new ATOM 1132 N MET A 73 -23.056 10.704 4.887 1.00 0.00 N ATOM 1133 CA MET A 73 -22.659 11.143 3.542 1.00 0.00 C ATOM 1134 C MET A 73 -21.119 10.988 3.372 1.00 0.00 C ATOM 1135 O MET A 73 -20.349 11.873 3.725 1.00 0.00 O ATOM 1136 CB MET A 73 -23.026 12.616 3.342 1.00 0.00 C ATOM 1137 CG MET A 73 -24.501 12.911 3.334 1.00 0.00 C ATOM 1138 SD MET A 73 -24.831 14.664 3.110 1.00 0.00 S ATOM 1139 CE MET A 73 -26.574 14.723 3.508 1.00 0.00 C ATOM 0 H MET A 73 -22.730 11.296 5.651 1.00 0.00 H new ATOM 0 HA MET A 73 -23.180 10.530 2.807 1.00 0.00 H new ATOM 0 HB2 MET A 73 -22.559 13.201 4.134 1.00 0.00 H new ATOM 0 HB3 MET A 73 -22.598 12.956 2.399 1.00 0.00 H new ATOM 0 HG2 MET A 73 -24.980 12.346 2.534 1.00 0.00 H new ATOM 0 HG3 MET A 73 -24.944 12.575 4.272 1.00 0.00 H new ATOM 0 HE1 MET A 73 -26.906 15.761 3.538 1.00 0.00 H new ATOM 0 HE2 MET A 73 -27.139 14.183 2.748 1.00 0.00 H new ATOM 0 HE3 MET A 73 -26.741 14.261 4.481 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.691 9.865 2.871 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.268 9.629 2.575 1.00 0.00 C ATOM 1151 C VAL A 74 -19.094 9.110 1.133 1.00 0.00 C ATOM 1152 O VAL A 74 -19.885 8.306 0.643 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.629 8.612 3.560 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -19.485 7.378 3.650 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -17.194 8.242 3.152 1.00 0.00 C ATOM 0 H VAL A 74 -21.299 9.077 2.649 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.759 10.586 2.690 1.00 0.00 H new ATOM 0 HB VAL A 74 -18.574 9.086 4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -19.030 6.670 4.343 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -20.478 7.649 4.008 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -19.568 6.920 2.664 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -16.785 7.529 3.868 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.202 7.795 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -16.576 9.140 3.141 1.00 0.00 H new ATOM 1165 N HIS A 75 -18.082 9.624 0.459 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.773 9.231 -0.907 1.00 0.00 C ATOM 1167 C HIS A 75 -16.448 8.516 -0.926 1.00 0.00 C ATOM 1168 O HIS A 75 -15.571 8.850 -0.152 1.00 0.00 O ATOM 1169 CB HIS A 75 -17.665 10.464 -1.803 1.00 0.00 C ATOM 1170 CG HIS A 75 -18.984 10.985 -2.270 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -19.119 11.869 -3.327 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -20.236 10.779 -1.785 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -20.392 12.176 -3.480 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -21.097 11.525 -2.555 1.00 0.00 N ATOM 0 H HIS A 75 -17.449 10.327 0.842 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.568 8.582 -1.273 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -17.145 11.253 -1.259 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -17.053 10.219 -2.671 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -20.505 10.148 -0.951 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -20.795 12.842 -4.228 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -22.109 11.572 -2.438 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.284 7.518 -1.789 1.00 0.00 N ATOM 1183 CA VAL A 76 -15.004 6.867 -1.845 1.00 0.00 C ATOM 1184 C VAL A 76 -14.451 6.939 -3.256 1.00 0.00 C ATOM 1185 O VAL A 76 -15.077 6.503 -4.218 1.00 0.00 O ATOM 1186 CB VAL A 76 -15.118 5.387 -1.395 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -16.251 4.659 -2.109 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -13.791 4.687 -1.573 1.00 0.00 C ATOM 0 H VAL A 76 -16.994 7.162 -2.429 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.325 7.381 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 76 -15.370 5.371 -0.335 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -16.294 3.626 -1.764 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -17.197 5.155 -1.890 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -16.073 4.675 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -13.882 3.649 -1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -13.500 4.720 -2.623 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -13.032 5.187 -0.970 1.00 0.00 H new ATOM 1198 N ILE A 77 -13.274 7.506 -3.349 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.572 7.706 -4.612 1.00 0.00 C ATOM 1200 C ILE A 77 -12.181 6.384 -5.296 1.00 0.00 C ATOM 1201 O ILE A 77 -12.351 6.203 -6.495 1.00 0.00 O ATOM 1202 CB ILE A 77 -11.301 8.514 -4.331 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.679 9.915 -3.889 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -10.419 8.565 -5.573 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.507 10.674 -3.330 1.00 0.00 C ATOM 0 H ILE A 77 -12.759 7.851 -2.539 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.246 8.231 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.737 8.030 -3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.092 10.462 -4.737 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.464 9.856 -3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.520 9.142 -5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.139 7.552 -5.862 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -10.966 9.037 -6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.829 11.670 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -10.109 10.144 -2.465 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.732 10.759 -4.092 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.656 5.475 -4.484 1.00 0.00 N ATOM 1218 CA LYS A 78 -11.062 4.226 -4.975 1.00 0.00 C ATOM 1219 C LYS A 78 -11.978 3.002 -4.928 1.00 0.00 C ATOM 1220 O LYS A 78 -11.616 1.945 -5.441 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.789 3.940 -4.224 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.730 5.018 -4.364 1.00 0.00 C ATOM 1223 CD LYS A 78 -8.234 5.162 -5.779 1.00 0.00 C ATOM 1224 CE LYS A 78 -7.180 6.254 -5.838 1.00 0.00 C ATOM 1225 NZ LYS A 78 -6.609 6.435 -7.190 1.00 0.00 N ATOM 0 H LYS A 78 -11.627 5.577 -3.469 1.00 0.00 H new ATOM 0 HA LYS A 78 -10.868 4.397 -6.034 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.024 3.812 -3.167 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.377 2.994 -4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.140 5.970 -4.028 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -7.890 4.784 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.814 4.218 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.063 5.406 -6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.621 7.194 -5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.378 6.015 -5.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.897 7.192 -7.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.162 5.548 -7.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.366 6.692 -7.855 1.00 0.00 H new ATOM 1239 N GLY A 79 -13.145 3.135 -4.332 1.00 0.00 N ATOM 1240 CA GLY A 79 -14.033 1.976 -4.182 1.00 0.00 C ATOM 1241 C GLY A 79 -13.773 1.171 -2.908 1.00 0.00 C ATOM 1242 O GLY A 79 -14.245 0.055 -2.785 1.00 0.00 O ATOM 0 H GLY A 79 -13.505 4.009 -3.948 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -15.068 2.318 -4.181 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.914 1.322 -5.046 1.00 0.00 H new ATOM 1246 N ILE A 80 -12.959 1.729 -1.996 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.722 1.154 -0.659 1.00 0.00 C ATOM 1248 C ILE A 80 -11.609 0.095 -0.638 1.00 0.00 C ATOM 1249 O ILE A 80 -11.867 -1.107 -0.602 1.00 0.00 O ATOM 1250 CB ILE A 80 -14.037 0.638 0.036 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -15.062 1.772 0.204 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.720 0.063 1.406 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.590 2.897 1.104 1.00 0.00 C ATOM 0 H ILE A 80 -12.445 2.594 -2.165 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.361 1.988 -0.058 1.00 0.00 H new ATOM 0 HB ILE A 80 -14.462 -0.135 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.301 2.181 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -15.985 1.358 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.639 -0.290 1.874 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.025 -0.770 1.299 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.269 0.835 2.029 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.367 3.658 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.379 2.503 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -13.684 3.339 0.689 1.00 0.00 H new ATOM 1265 N GLN A 81 -10.388 0.552 -0.702 1.00 0.00 N ATOM 1266 CA GLN A 81 -9.222 -0.329 -0.552 1.00 0.00 C ATOM 1267 C GLN A 81 -8.021 0.370 0.014 1.00 0.00 C ATOM 1268 O GLN A 81 -8.099 1.515 0.422 1.00 0.00 O ATOM 1269 CB GLN A 81 -8.822 -1.061 -1.833 1.00 0.00 C ATOM 1270 CG GLN A 81 -9.430 -2.444 -1.955 1.00 0.00 C ATOM 1271 CD GLN A 81 -8.479 -3.414 -2.653 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -8.459 -3.541 -3.881 1.00 0.00 O ATOM 1273 NE2 GLN A 81 -7.613 -4.048 -1.844 1.00 0.00 N ATOM 0 H GLN A 81 -10.156 1.533 -0.857 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.564 -1.076 0.165 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.124 -0.463 -2.693 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -7.736 -1.146 -1.869 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.675 -2.824 -0.963 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -10.364 -2.384 -2.513 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -7.666 -3.913 -0.834 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -6.902 -4.664 -2.240 1.00 0.00 H new ATOM 1282 N PHE A 82 -6.895 -0.335 0.047 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.668 0.258 0.512 1.00 0.00 C ATOM 1284 C PHE A 82 -5.200 1.354 -0.434 1.00 0.00 C ATOM 1285 O PHE A 82 -5.128 1.157 -1.656 1.00 0.00 O ATOM 1286 CB PHE A 82 -4.588 -0.813 0.718 1.00 0.00 C ATOM 1287 CG PHE A 82 -3.241 -0.230 0.997 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -3.022 0.560 2.119 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -2.181 -0.474 0.135 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -1.766 1.111 2.368 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -0.932 0.072 0.389 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.725 0.865 1.495 1.00 0.00 C ATOM 0 H PHE A 82 -6.817 -1.310 -0.243 1.00 0.00 H new ATOM 0 HA PHE A 82 -5.858 0.723 1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.878 -1.460 1.546 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.530 -1.440 -0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -3.834 0.749 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.330 -1.092 -0.738 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.608 1.728 3.240 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.114 -0.127 -0.287 1.00 0.00 H new ATOM 0 HZ PHE A 82 0.249 1.294 1.679 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.894 2.496 0.149 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.491 3.659 -0.606 1.00 0.00 C ATOM 1304 C GLY A 83 -5.683 4.541 -0.961 1.00 0.00 C ATOM 1305 O GLY A 83 -5.541 5.575 -1.608 1.00 0.00 O ATOM 0 H GLY A 83 -4.919 2.641 1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.770 4.237 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.987 3.343 -1.519 1.00 0.00 H new ATOM 1309 N SER A 84 -6.866 4.109 -0.563 1.00 0.00 N ATOM 1310 CA SER A 84 -8.089 4.867 -0.804 1.00 0.00 C ATOM 1311 C SER A 84 -8.214 6.095 0.086 1.00 0.00 C ATOM 1312 O SER A 84 -7.707 6.123 1.215 1.00 0.00 O ATOM 1313 CB SER A 84 -9.311 3.986 -0.606 1.00 0.00 C ATOM 1314 OG SER A 84 -9.312 2.914 -1.520 1.00 0.00 O ATOM 0 H SER A 84 -7.010 3.230 -0.067 1.00 0.00 H new ATOM 0 HA SER A 84 -8.033 5.210 -1.837 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.325 3.600 0.413 1.00 0.00 H new ATOM 0 HB3 SER A 84 -10.216 4.579 -0.734 1.00 0.00 H new ATOM 0 HG SER A 84 -8.518 2.971 -2.092 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.885 7.099 -0.447 1.00 0.00 N ATOM 1321 CA GLN A 85 -9.249 8.274 0.291 1.00 0.00 C ATOM 1322 C GLN A 85 -10.736 8.553 0.071 1.00 0.00 C ATOM 1323 O GLN A 85 -11.263 8.348 -1.027 1.00 0.00 O ATOM 1324 CB GLN A 85 -8.404 9.449 -0.118 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.757 10.731 0.627 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.825 11.877 0.290 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -6.697 11.665 -0.134 1.00 0.00 O ATOM 1328 NE2 GLN A 85 -8.312 13.101 0.415 1.00 0.00 N ATOM 0 H GLN A 85 -9.193 7.113 -1.419 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.070 8.109 1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.355 9.212 0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.519 9.616 -1.189 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.781 11.017 0.385 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.723 10.544 1.700 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.257 13.240 0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.742 13.906 0.154 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.406 8.938 1.126 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.858 9.132 1.115 1.00 0.00 C ATOM 1339 C ILE A 86 -13.250 10.496 1.686 1.00 0.00 C ATOM 1340 O ILE A 86 -12.446 11.126 2.346 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.516 8.006 1.905 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.025 8.036 3.332 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.219 6.664 1.270 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.710 7.063 4.224 1.00 0.00 C ATOM 0 H ILE A 86 -10.970 9.130 2.028 1.00 0.00 H new ATOM 0 HA ILE A 86 -13.206 9.108 0.082 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.596 8.151 1.896 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.954 7.832 3.342 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.162 9.040 3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.697 5.874 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.604 6.651 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.142 6.500 1.253 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.303 7.144 5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.778 7.279 4.246 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.552 6.052 3.849 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.483 10.955 1.403 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.946 12.290 1.886 1.00 0.00 C ATOM 1358 C LYS A 87 -16.032 12.154 2.863 1.00 0.00 C ATOM 1359 O LYS A 87 -16.902 11.305 2.724 1.00 0.00 O ATOM 1360 CB LYS A 87 -15.523 13.115 0.760 1.00 0.00 C ATOM 1361 CG LYS A 87 -14.498 13.861 -0.066 1.00 0.00 C ATOM 1362 CD LYS A 87 -13.598 12.918 -0.799 1.00 0.00 C ATOM 1363 CE LYS A 87 -12.662 13.674 -1.689 1.00 0.00 C ATOM 1364 NZ LYS A 87 -13.410 14.425 -2.739 1.00 0.00 N ATOM 0 H LYS A 87 -15.172 10.441 0.854 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.068 12.766 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -16.092 12.459 0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.226 13.835 1.179 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -15.006 14.510 -0.779 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.903 14.504 0.583 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.029 12.321 -0.086 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.194 12.225 -1.393 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.069 14.368 -1.093 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -11.964 12.982 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -12.773 14.640 -3.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.205 13.847 -3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -13.775 15.313 -2.338 1.00 0.00 H new ATOM 1378 N TYR A 88 -16.015 13.001 3.826 1.00 0.00 N ATOM 1379 CA TYR A 88 -17.049 13.051 4.763 1.00 0.00 C ATOM 1380 C TYR A 88 -17.821 14.367 4.669 1.00 0.00 C ATOM 1381 O TYR A 88 -17.254 15.459 4.753 1.00 0.00 O ATOM 1382 CB TYR A 88 -16.464 12.829 6.151 1.00 0.00 C ATOM 1383 CG TYR A 88 -15.962 11.419 6.358 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -14.650 11.051 6.051 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -16.813 10.442 6.865 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -14.216 9.759 6.261 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -16.376 9.167 7.068 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.089 8.826 6.776 1.00 0.00 C ATOM 1389 OH TYR A 88 -14.680 7.543 6.998 1.00 0.00 O ATOM 0 H TYR A 88 -15.270 13.681 3.978 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.770 12.261 4.555 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -15.643 13.529 6.310 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -17.224 13.053 6.900 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -13.969 11.785 5.646 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -17.835 10.698 7.101 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -13.200 9.481 6.024 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -17.053 8.423 7.462 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.936 7.543 7.636 1.00 0.00 H new ATOM 1399 N SER A 89 -19.109 14.219 4.526 1.00 0.00 N ATOM 1400 CA SER A 89 -20.080 15.315 4.551 1.00 0.00 C ATOM 1401 C SER A 89 -21.293 14.878 5.386 1.00 0.00 C ATOM 1402 O SER A 89 -21.612 13.704 5.451 1.00 0.00 O ATOM 1403 CB SER A 89 -20.520 15.692 3.100 1.00 0.00 C ATOM 1404 OG SER A 89 -21.488 16.761 3.081 1.00 0.00 O ATOM 0 H SER A 89 -19.542 13.307 4.383 1.00 0.00 H new ATOM 0 HA SER A 89 -19.625 16.198 5.000 1.00 0.00 H new ATOM 0 HB2 SER A 89 -19.644 15.988 2.523 1.00 0.00 H new ATOM 0 HB3 SER A 89 -20.942 14.814 2.611 1.00 0.00 H new ATOM 0 HG SER A 89 -21.733 16.964 2.154 1.00 0.00 H new ATOM 1410 N CYS A 90 -21.875 15.788 6.112 1.00 0.00 N ATOM 1411 CA CYS A 90 -23.075 15.462 6.889 1.00 0.00 C ATOM 1412 C CYS A 90 -24.324 16.144 6.344 1.00 0.00 C ATOM 1413 O CYS A 90 -25.368 15.533 6.237 1.00 0.00 O ATOM 1414 CB CYS A 90 -22.842 15.885 8.345 1.00 0.00 C ATOM 1415 SG CYS A 90 -21.382 15.124 9.073 1.00 0.00 S ATOM 0 H CYS A 90 -21.558 16.754 6.194 1.00 0.00 H new ATOM 0 HA CYS A 90 -23.246 14.388 6.819 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -22.741 16.969 8.391 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -23.717 15.621 8.939 1.00 0.00 H new ATOM 1420 N THR A 91 -24.202 17.412 6.029 1.00 0.00 N ATOM 1421 CA THR A 91 -25.345 18.233 5.667 1.00 0.00 C ATOM 1422 C THR A 91 -24.943 19.407 4.733 1.00 0.00 C ATOM 1423 O THR A 91 -23.772 19.711 4.608 1.00 0.00 O ATOM 1424 CB THR A 91 -25.984 18.705 7.005 1.00 0.00 C ATOM 1425 OG1 THR A 91 -26.630 17.587 7.653 1.00 0.00 O ATOM 1426 CG2 THR A 91 -26.942 19.868 6.876 1.00 0.00 C ATOM 0 H THR A 91 -23.311 17.908 6.015 1.00 0.00 H new ATOM 0 HA THR A 91 -26.072 17.667 5.085 1.00 0.00 H new ATOM 0 HB THR A 91 -25.163 19.083 7.614 1.00 0.00 H new ATOM 0 HG1 THR A 91 -26.666 16.827 7.035 1.00 0.00 H new ATOM 0 HG21 THR A 91 -27.336 20.125 7.859 1.00 0.00 H new ATOM 0 HG22 THR A 91 -26.417 20.727 6.459 1.00 0.00 H new ATOM 0 HG23 THR A 91 -27.764 19.591 6.217 1.00 0.00 H new ATOM 1434 N LYS A 92 -25.907 20.011 4.046 1.00 0.00 N ATOM 1435 CA LYS A 92 -25.640 21.220 3.289 1.00 0.00 C ATOM 1436 C LYS A 92 -25.217 22.394 4.165 1.00 0.00 C ATOM 1437 O LYS A 92 -24.261 23.098 3.855 1.00 0.00 O ATOM 1438 CB LYS A 92 -26.841 21.597 2.427 1.00 0.00 C ATOM 1439 CG LYS A 92 -26.606 22.863 1.628 1.00 0.00 C ATOM 1440 CD LYS A 92 -25.472 22.701 0.646 1.00 0.00 C ATOM 1441 CE LYS A 92 -25.245 23.992 -0.093 1.00 0.00 C ATOM 1442 NZ LYS A 92 -24.107 23.934 -1.051 1.00 0.00 N ATOM 0 H LYS A 92 -26.872 19.683 4.000 1.00 0.00 H new ATOM 0 HA LYS A 92 -24.793 20.995 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -27.067 20.777 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -27.715 21.730 3.065 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -27.517 23.129 1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -26.384 23.686 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -24.563 22.408 1.172 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -25.702 21.903 -0.060 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -26.153 24.256 -0.635 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -25.062 24.788 0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -24.005 24.854 -1.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -23.231 23.711 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -24.288 23.196 -1.761 1.00 0.00 H new ATOM 1456 N GLY A 93 -25.930 22.593 5.256 1.00 0.00 N ATOM 1457 CA GLY A 93 -25.620 23.682 6.147 1.00 0.00 C ATOM 1458 C GLY A 93 -25.096 23.201 7.489 1.00 0.00 C ATOM 1459 O GLY A 93 -25.800 23.301 8.503 1.00 0.00 O ATOM 0 H GLY A 93 -26.722 22.017 5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -24.877 24.329 5.681 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -26.514 24.285 6.304 1.00 0.00 H new ATOM 1463 N TYR A 94 -23.884 22.660 7.505 1.00 0.00 N ATOM 1464 CA TYR A 94 -23.283 22.186 8.743 1.00 0.00 C ATOM 1465 C TYR A 94 -21.770 22.341 8.552 1.00 0.00 C ATOM 1466 O TYR A 94 -21.315 22.585 7.432 1.00 0.00 O ATOM 1467 CB TYR A 94 -23.561 20.688 8.994 1.00 0.00 C ATOM 1468 CG TYR A 94 -22.546 19.759 8.351 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -22.353 19.712 6.983 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -21.690 19.020 9.155 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -21.359 18.945 6.427 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -20.685 18.269 8.610 1.00 0.00 C ATOM 1473 CZ TYR A 94 -20.525 18.231 7.245 1.00 0.00 C ATOM 1474 OH TYR A 94 -19.521 17.481 6.691 1.00 0.00 O ATOM 0 H TYR A 94 -23.301 22.539 6.677 1.00 0.00 H new ATOM 0 HA TYR A 94 -23.691 22.748 9.583 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -23.576 20.506 10.069 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -24.554 20.444 8.615 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -22.998 20.291 6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -21.819 19.038 10.227 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -21.236 18.905 5.355 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -20.020 17.708 9.250 1.00 0.00 H new ATOM 0 HH TYR A 94 -19.444 16.631 7.172 1.00 0.00 H new ATOM 1484 N ARG A 95 -21.006 22.232 9.591 1.00 0.00 N ATOM 1485 CA ARG A 95 -19.585 22.238 9.472 1.00 0.00 C ATOM 1486 C ARG A 95 -18.997 20.906 9.913 1.00 0.00 C ATOM 1487 O ARG A 95 -19.497 20.279 10.816 1.00 0.00 O ATOM 1488 CB ARG A 95 -18.949 23.383 10.234 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.456 23.245 10.220 1.00 0.00 C ATOM 1490 CD ARG A 95 -16.720 24.392 10.899 1.00 0.00 C ATOM 1491 NE ARG A 95 -17.013 24.472 12.318 1.00 0.00 N ATOM 1492 CZ ARG A 95 -16.570 25.445 13.125 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -15.664 26.321 12.696 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -16.993 25.506 14.378 1.00 0.00 N ATOM 0 H ARG A 95 -21.351 22.136 10.546 1.00 0.00 H new ATOM 0 HA ARG A 95 -19.356 22.387 8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -19.238 24.334 9.786 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -19.312 23.392 11.262 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -17.183 22.311 10.711 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.118 23.172 9.186 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -15.647 24.265 10.759 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -16.995 25.332 10.420 1.00 0.00 H new ATOM 0 HE ARG A 95 -17.594 23.740 12.727 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.301 26.255 11.745 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.333 27.058 13.318 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -17.655 24.813 14.727 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.657 26.246 14.994 1.00 0.00 H new ATOM 1508 N LEU A 96 -17.999 20.422 9.229 1.00 0.00 N ATOM 1509 CA LEU A 96 -17.364 19.210 9.721 1.00 0.00 C ATOM 1510 C LEU A 96 -16.140 19.631 10.532 1.00 0.00 C ATOM 1511 O LEU A 96 -15.213 20.229 10.011 1.00 0.00 O ATOM 1512 CB LEU A 96 -16.893 18.330 8.558 1.00 0.00 C ATOM 1513 CG LEU A 96 -16.376 16.964 8.973 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -17.470 16.223 9.628 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -15.887 16.194 7.797 1.00 0.00 C ATOM 0 H LEU A 96 -17.615 20.816 8.370 1.00 0.00 H new ATOM 0 HA LEU A 96 -18.076 18.643 10.321 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -17.721 18.195 7.862 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -16.105 18.854 8.018 1.00 0.00 H new ATOM 0 HG LEU A 96 -15.540 17.097 9.660 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -17.112 15.239 9.931 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.807 16.773 10.506 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -18.300 16.108 8.931 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.523 15.220 8.125 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -16.703 16.056 7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -15.076 16.741 7.316 1.00 0.00 H new ATOM 1527 N ILE A 97 -16.182 19.320 11.821 1.00 0.00 N ATOM 1528 CA ILE A 97 -15.129 19.691 12.765 1.00 0.00 C ATOM 1529 C ILE A 97 -13.788 18.993 12.496 1.00 0.00 C ATOM 1530 O ILE A 97 -12.733 19.614 12.549 1.00 0.00 O ATOM 1531 CB ILE A 97 -15.574 19.481 14.239 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -16.901 20.224 14.502 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -14.501 19.989 15.194 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -16.816 21.703 14.279 1.00 0.00 C ATOM 0 H ILE A 97 -16.950 18.801 12.246 1.00 0.00 H new ATOM 0 HA ILE A 97 -14.961 20.756 12.604 1.00 0.00 H new ATOM 0 HB ILE A 97 -15.721 18.414 14.409 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -17.673 19.811 13.853 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -17.214 20.038 15.529 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -14.827 19.835 16.223 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.573 19.444 15.022 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -14.334 21.052 15.021 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -17.785 22.158 14.483 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -16.067 22.129 14.947 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -16.533 21.899 13.245 1.00 0.00 H new ATOM 1546 N GLY A 98 -13.845 17.690 12.227 1.00 0.00 N ATOM 1547 CA GLY A 98 -12.625 16.919 12.016 1.00 0.00 C ATOM 1548 C GLY A 98 -12.236 16.698 10.580 1.00 0.00 C ATOM 1549 O GLY A 98 -12.121 17.646 9.788 1.00 0.00 O ATOM 0 H GLY A 98 -14.709 17.154 12.151 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.804 17.426 12.522 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.743 15.947 12.495 1.00 0.00 H new ATOM 1553 N SER A 99 -12.020 15.433 10.242 1.00 0.00 N ATOM 1554 CA SER A 99 -11.487 15.081 8.957 1.00 0.00 C ATOM 1555 C SER A 99 -12.588 14.929 7.895 1.00 0.00 C ATOM 1556 O SER A 99 -13.436 14.058 7.971 1.00 0.00 O ATOM 1557 CB SER A 99 -10.718 13.757 9.109 1.00 0.00 C ATOM 1558 OG SER A 99 -9.914 13.787 10.276 1.00 0.00 O ATOM 0 H SER A 99 -12.211 14.638 10.852 1.00 0.00 H new ATOM 0 HA SER A 99 -10.829 15.881 8.617 1.00 0.00 H new ATOM 0 HB2 SER A 99 -11.420 12.925 9.164 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.093 13.589 8.232 1.00 0.00 H new ATOM 0 HG SER A 99 -9.431 12.939 10.363 1.00 0.00 H new ATOM 1564 N SER A 100 -12.538 15.825 6.920 1.00 0.00 N ATOM 1565 CA SER A 100 -13.375 15.807 5.714 1.00 0.00 C ATOM 1566 C SER A 100 -13.022 14.604 4.841 1.00 0.00 C ATOM 1567 O SER A 100 -13.741 14.259 3.928 1.00 0.00 O ATOM 1568 CB SER A 100 -13.236 17.119 4.928 1.00 0.00 C ATOM 1569 OG SER A 100 -14.160 17.166 3.846 1.00 0.00 O ATOM 0 H SER A 100 -11.893 16.615 6.941 1.00 0.00 H new ATOM 0 HA SER A 100 -14.417 15.715 6.020 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.406 17.965 5.593 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.219 17.213 4.547 1.00 0.00 H new ATOM 0 HG SER A 100 -14.278 16.266 3.477 1.00 0.00 H new ATOM 1575 N SER A 101 -11.888 14.007 5.106 1.00 0.00 N ATOM 1576 CA SER A 101 -11.451 12.860 4.355 1.00 0.00 C ATOM 1577 C SER A 101 -10.603 11.974 5.231 1.00 0.00 C ATOM 1578 O SER A 101 -10.060 12.411 6.237 1.00 0.00 O ATOM 1579 CB SER A 101 -10.643 13.313 3.105 1.00 0.00 C ATOM 1580 OG SER A 101 -9.604 14.215 3.450 1.00 0.00 O ATOM 0 H SER A 101 -11.246 14.300 5.843 1.00 0.00 H new ATOM 0 HA SER A 101 -12.323 12.299 4.019 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.217 12.440 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.315 13.788 2.390 1.00 0.00 H new ATOM 0 HG SER A 101 -9.116 14.477 2.641 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.508 10.722 4.840 1.00 0.00 N ATOM 1587 CA ALA A 102 -9.772 9.723 5.583 1.00 0.00 C ATOM 1588 C ALA A 102 -8.998 8.871 4.614 1.00 0.00 C ATOM 1589 O ALA A 102 -9.465 8.625 3.497 1.00 0.00 O ATOM 1590 CB ALA A 102 -10.728 8.867 6.380 1.00 0.00 C ATOM 0 H ALA A 102 -10.944 10.366 3.989 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.083 10.208 6.275 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.167 8.117 6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.285 9.495 7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.423 8.371 5.703 1.00 0.00 H new ATOM 1596 N THR A 103 -7.859 8.395 5.023 1.00 0.00 N ATOM 1597 CA THR A 103 -7.012 7.628 4.136 1.00 0.00 C ATOM 1598 C THR A 103 -6.795 6.219 4.706 1.00 0.00 C ATOM 1599 O THR A 103 -6.449 6.065 5.879 1.00 0.00 O ATOM 1600 CB THR A 103 -5.664 8.334 3.978 1.00 0.00 C ATOM 1601 OG1 THR A 103 -5.904 9.669 3.527 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.799 7.642 2.937 1.00 0.00 C ATOM 0 H THR A 103 -7.488 8.520 5.965 1.00 0.00 H new ATOM 0 HA THR A 103 -7.495 7.546 3.162 1.00 0.00 H new ATOM 0 HB THR A 103 -5.150 8.316 4.939 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.050 10.137 3.422 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.848 8.167 2.847 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.618 6.611 3.242 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.311 7.651 1.975 1.00 0.00 H new ATOM 1610 N CYS A 104 -7.012 5.198 3.879 1.00 0.00 N ATOM 1611 CA CYS A 104 -6.861 3.807 4.323 1.00 0.00 C ATOM 1612 C CYS A 104 -5.416 3.292 4.168 1.00 0.00 C ATOM 1613 O CYS A 104 -4.847 3.257 3.068 1.00 0.00 O ATOM 1614 CB CYS A 104 -7.910 2.915 3.586 1.00 0.00 C ATOM 1615 SG CYS A 104 -8.481 1.423 4.511 1.00 0.00 S ATOM 0 H CYS A 104 -7.291 5.303 2.904 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.060 3.755 5.393 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -8.779 3.528 3.350 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.482 2.590 2.638 1.00 0.00 H new ATOM 1620 N ILE A 105 -4.848 2.887 5.306 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.476 2.368 5.407 1.00 0.00 C ATOM 1622 C ILE A 105 -3.495 1.023 6.156 1.00 0.00 C ATOM 1623 O ILE A 105 -4.496 0.685 6.782 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.489 3.362 6.089 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -2.882 3.616 7.552 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.433 4.670 5.298 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -3.929 4.681 7.750 1.00 0.00 C ATOM 0 H ILE A 105 -5.335 2.910 6.202 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.106 2.229 4.391 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.494 2.916 6.092 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.247 2.683 7.982 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.989 3.897 8.110 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.741 5.359 5.782 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.092 4.467 4.283 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.426 5.118 5.265 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.141 4.789 8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.563 5.629 7.355 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.841 4.397 7.225 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.419 0.259 6.098 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.459 -1.086 6.650 1.00 0.00 C ATOM 1641 C ILE A 106 -1.934 -1.057 8.117 1.00 0.00 C ATOM 1642 O ILE A 106 -0.827 -0.591 8.365 1.00 0.00 O ATOM 1643 CB ILE A 106 -1.456 -2.025 5.931 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -1.477 -1.922 4.397 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -1.830 -3.446 6.317 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -2.776 -2.274 3.759 1.00 0.00 C ATOM 0 H ILE A 106 -1.528 0.535 5.686 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.488 -1.430 6.550 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.452 -1.734 6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.215 -0.903 4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.703 -2.575 3.994 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -1.149 -4.146 5.833 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.759 -3.560 7.399 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.851 -3.653 5.997 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.690 -2.170 2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -3.035 -3.304 4.006 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.555 -1.606 4.127 1.00 0.00 H new ATOM 1658 N SER A 107 -2.738 -1.535 9.078 1.00 0.00 N ATOM 1659 CA SER A 107 -2.275 -1.639 10.478 1.00 0.00 C ATOM 1660 C SER A 107 -1.592 -2.976 10.721 1.00 0.00 C ATOM 1661 O SER A 107 -0.998 -3.215 11.769 1.00 0.00 O ATOM 1662 CB SER A 107 -3.436 -1.453 11.447 1.00 0.00 C ATOM 1663 OG SER A 107 -4.415 -2.472 11.286 1.00 0.00 O ATOM 0 H SER A 107 -3.695 -1.851 8.921 1.00 0.00 H new ATOM 0 HA SER A 107 -1.550 -0.844 10.653 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.062 -1.464 12.471 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.894 -0.477 11.285 1.00 0.00 H new ATOM 0 HG SER A 107 -4.441 -2.756 10.348 1.00 0.00 H new ATOM 1669 N GLY A 108 -1.681 -3.834 9.737 1.00 0.00 N ATOM 1670 CA GLY A 108 -1.110 -5.140 9.831 1.00 0.00 C ATOM 1671 C GLY A 108 -2.115 -6.163 9.454 1.00 0.00 C ATOM 1672 O GLY A 108 -2.260 -6.504 8.290 1.00 0.00 O ATOM 0 H GLY A 108 -2.152 -3.641 8.853 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.241 -5.214 9.177 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.760 -5.320 10.847 1.00 0.00 H new ATOM 1676 N ASP A 109 -2.821 -6.630 10.445 1.00 0.00 N ATOM 1677 CA ASP A 109 -3.858 -7.655 10.267 1.00 0.00 C ATOM 1678 C ASP A 109 -5.082 -7.089 9.535 1.00 0.00 C ATOM 1679 O ASP A 109 -5.903 -7.833 8.999 1.00 0.00 O ATOM 1680 CB ASP A 109 -4.275 -8.206 11.630 1.00 0.00 C ATOM 1681 CG ASP A 109 -3.171 -8.997 12.303 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -2.474 -9.767 11.626 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -2.958 -8.792 13.520 1.00 0.00 O ATOM 0 H ASP A 109 -2.707 -6.321 11.410 1.00 0.00 H new ATOM 0 HA ASP A 109 -3.443 -8.458 9.657 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.571 -7.380 12.277 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.150 -8.844 11.507 1.00 0.00 H new ATOM 1688 N THR A 110 -5.209 -5.770 9.525 1.00 0.00 N ATOM 1689 CA THR A 110 -6.337 -5.126 8.903 1.00 0.00 C ATOM 1690 C THR A 110 -5.894 -3.796 8.297 1.00 0.00 C ATOM 1691 O THR A 110 -4.777 -3.324 8.562 1.00 0.00 O ATOM 1692 CB THR A 110 -7.502 -4.890 9.916 1.00 0.00 C ATOM 1693 OG1 THR A 110 -8.683 -4.497 9.220 1.00 0.00 O ATOM 1694 CG2 THR A 110 -7.150 -3.804 10.918 1.00 0.00 C ATOM 0 H THR A 110 -4.536 -5.129 9.945 1.00 0.00 H new ATOM 0 HA THR A 110 -6.712 -5.785 8.120 1.00 0.00 H new ATOM 0 HB THR A 110 -7.669 -5.827 10.448 1.00 0.00 H new ATOM 0 HG1 THR A 110 -9.409 -4.353 9.863 1.00 0.00 H new ATOM 0 HG21 THR A 110 -7.981 -3.663 11.609 1.00 0.00 H new ATOM 0 HG22 THR A 110 -6.260 -4.098 11.475 1.00 0.00 H new ATOM 0 HG23 THR A 110 -6.956 -2.871 10.390 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.736 -3.209 7.481 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.455 -1.911 6.927 1.00 0.00 C ATOM 1704 C VAL A 111 -7.450 -0.911 7.529 1.00 0.00 C ATOM 1705 O VAL A 111 -8.652 -1.174 7.602 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.578 -1.905 5.402 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.595 -2.864 4.799 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -7.945 -2.266 4.985 1.00 0.00 C ATOM 0 H VAL A 111 -7.625 -3.614 7.186 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.428 -1.638 7.171 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.361 -0.897 5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.693 -2.850 3.713 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.583 -2.570 5.076 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.794 -3.870 5.169 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.008 -2.255 3.897 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.186 -3.263 5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.653 -1.547 5.397 1.00 0.00 H new ATOM 1718 N ILE A 112 -6.932 0.186 8.002 1.00 0.00 N ATOM 1719 CA ILE A 112 -7.685 1.171 8.772 1.00 0.00 C ATOM 1720 C ILE A 112 -7.488 2.591 8.297 1.00 0.00 C ATOM 1721 O ILE A 112 -6.415 2.972 7.845 1.00 0.00 O ATOM 1722 CB ILE A 112 -7.421 1.016 10.291 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -7.862 2.244 11.139 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -5.998 0.633 10.538 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -9.341 2.382 11.362 1.00 0.00 C ATOM 0 H ILE A 112 -5.953 0.439 7.867 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.739 0.958 8.594 1.00 0.00 H new ATOM 0 HB ILE A 112 -8.061 0.204 10.637 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -7.370 2.188 12.110 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -7.500 3.149 10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.830 0.528 11.610 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -5.785 -0.315 10.043 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.339 1.405 10.141 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.537 3.269 11.964 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -9.847 2.476 10.401 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -9.714 1.500 11.883 1.00 0.00 H new ATOM 1737 N TRP A 113 -8.563 3.332 8.366 1.00 0.00 N ATOM 1738 CA TRP A 113 -8.625 4.719 7.936 1.00 0.00 C ATOM 1739 C TRP A 113 -7.993 5.607 9.033 1.00 0.00 C ATOM 1740 O TRP A 113 -8.150 5.346 10.221 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.100 5.060 7.801 1.00 0.00 C ATOM 1742 CG TRP A 113 -10.780 4.246 6.746 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -11.539 3.121 6.942 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -10.777 4.477 5.330 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -11.993 2.663 5.765 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.559 3.461 4.752 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.194 5.432 4.491 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -11.793 3.368 3.365 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.418 5.352 3.121 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -11.206 4.325 2.570 1.00 0.00 C ATOM 0 H TRP A 113 -9.449 2.984 8.732 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.094 4.878 6.998 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -10.597 4.897 8.758 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.205 6.119 7.563 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -11.742 2.670 7.902 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -12.579 1.836 5.647 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.579 6.220 4.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.404 2.582 2.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.979 6.092 2.468 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -11.353 4.287 1.501 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.281 6.642 8.621 1.00 0.00 N ATOM 1762 CA ASP A 114 -6.523 7.486 9.566 1.00 0.00 C ATOM 1763 C ASP A 114 -7.332 8.626 10.195 1.00 0.00 C ATOM 1764 O ASP A 114 -6.792 9.365 11.022 1.00 0.00 O ATOM 1765 CB ASP A 114 -5.248 8.074 8.920 1.00 0.00 C ATOM 1766 CG ASP A 114 -5.533 9.125 7.841 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -6.673 9.181 7.328 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -4.623 9.936 7.536 1.00 0.00 O ATOM 0 H ASP A 114 -7.204 6.928 7.645 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.255 6.800 10.370 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -4.631 8.523 9.698 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -4.667 7.263 8.481 1.00 0.00 H new ATOM 1773 N GLN A 115 -8.614 8.779 9.845 1.00 0.00 N ATOM 1774 CA GLN A 115 -9.395 9.863 10.460 1.00 0.00 C ATOM 1775 C GLN A 115 -9.699 9.601 11.931 1.00 0.00 C ATOM 1776 O GLN A 115 -9.615 8.471 12.416 1.00 0.00 O ATOM 1777 CB GLN A 115 -10.689 10.219 9.784 1.00 0.00 C ATOM 1778 CG GLN A 115 -11.819 9.272 10.058 1.00 0.00 C ATOM 1779 CD GLN A 115 -13.105 9.789 9.510 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -13.113 10.635 8.629 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -14.202 9.322 10.067 1.00 0.00 N ATOM 0 H GLN A 115 -9.116 8.199 9.173 1.00 0.00 H new ATOM 0 HA GLN A 115 -8.725 10.714 10.338 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -10.986 11.219 10.101 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -10.521 10.262 8.708 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -11.597 8.301 9.616 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -11.915 9.119 11.133 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -14.141 8.615 10.800 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -15.113 9.667 9.766 1.00 0.00 H new ATOM 1790 N GLU A 116 -10.036 10.674 12.630 1.00 0.00 N ATOM 1791 CA GLU A 116 -10.281 10.629 14.075 1.00 0.00 C ATOM 1792 C GLU A 116 -11.505 9.796 14.507 1.00 0.00 C ATOM 1793 O GLU A 116 -11.407 8.964 15.417 1.00 0.00 O ATOM 1794 CB GLU A 116 -10.504 12.054 14.537 1.00 0.00 C ATOM 1795 CG GLU A 116 -10.792 12.180 16.015 1.00 0.00 C ATOM 1796 CD GLU A 116 -9.596 11.808 16.864 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -8.503 11.597 16.295 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -9.755 11.713 18.093 1.00 0.00 O ATOM 0 H GLU A 116 -10.149 11.601 12.219 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.413 10.145 14.524 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.621 12.646 14.297 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -11.336 12.481 13.977 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -11.090 13.204 16.239 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.634 11.539 16.275 1.00 0.00 H new ATOM 1805 N THR A 117 -12.597 9.974 13.820 1.00 0.00 N ATOM 1806 CA THR A 117 -13.871 9.341 14.179 1.00 0.00 C ATOM 1807 C THR A 117 -14.980 10.113 13.436 1.00 0.00 C ATOM 1808 O THR A 117 -14.709 11.214 12.949 1.00 0.00 O ATOM 1809 CB THR A 117 -14.115 9.419 15.739 1.00 0.00 C ATOM 1810 OG1 THR A 117 -14.825 8.256 16.195 1.00 0.00 O ATOM 1811 CG2 THR A 117 -14.887 10.670 16.135 1.00 0.00 C ATOM 0 H THR A 117 -12.647 10.562 12.988 1.00 0.00 H new ATOM 0 HA THR A 117 -13.865 8.287 13.900 1.00 0.00 H new ATOM 0 HB THR A 117 -13.134 9.462 16.213 1.00 0.00 H new ATOM 0 HG1 THR A 117 -14.967 8.318 17.163 1.00 0.00 H new ATOM 0 HG21 THR A 117 -15.032 10.682 17.215 1.00 0.00 H new ATOM 0 HG22 THR A 117 -14.325 11.555 15.835 1.00 0.00 H new ATOM 0 HG23 THR A 117 -15.858 10.671 15.639 1.00 0.00 H new ATOM 1819 N PRO A 118 -16.227 9.566 13.283 1.00 0.00 N ATOM 1820 CA PRO A 118 -17.285 10.320 12.573 1.00 0.00 C ATOM 1821 C PRO A 118 -17.595 11.638 13.294 1.00 0.00 C ATOM 1822 O PRO A 118 -17.716 11.666 14.511 1.00 0.00 O ATOM 1823 CB PRO A 118 -18.495 9.356 12.659 1.00 0.00 C ATOM 1824 CG PRO A 118 -17.896 8.014 12.934 1.00 0.00 C ATOM 1825 CD PRO A 118 -16.681 8.261 13.766 1.00 0.00 C ATOM 0 HA PRO A 118 -17.013 10.596 11.554 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -19.181 9.653 13.452 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -19.064 9.352 11.730 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.603 7.373 13.459 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -17.635 7.507 12.005 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -16.915 8.281 14.830 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -15.925 7.489 13.620 1.00 0.00 H new ATOM 1833 N ILE A 119 -17.749 12.717 12.528 1.00 0.00 N ATOM 1834 CA ILE A 119 -17.998 14.048 13.086 1.00 0.00 C ATOM 1835 C ILE A 119 -19.095 14.778 12.352 1.00 0.00 C ATOM 1836 O ILE A 119 -19.153 14.697 11.149 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.728 14.850 13.001 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -15.677 14.186 13.846 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -16.969 16.279 13.491 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -14.321 14.690 13.596 1.00 0.00 C ATOM 0 H ILE A 119 -17.705 12.695 11.509 1.00 0.00 H new ATOM 0 HA ILE A 119 -18.319 13.927 14.121 1.00 0.00 H new ATOM 0 HB ILE A 119 -16.394 14.895 11.964 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -15.922 14.332 14.898 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -15.697 13.112 13.660 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -16.042 16.848 13.424 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.731 16.752 12.872 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.307 16.256 14.527 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.614 14.167 14.240 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -14.056 14.520 12.552 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.285 15.758 13.810 1.00 0.00 H new ATOM 1852 N CYS A 120 -20.011 15.378 13.045 1.00 0.00 N ATOM 1853 CA CYS A 120 -20.937 16.291 12.369 1.00 0.00 C ATOM 1854 C CYS A 120 -21.214 17.504 13.285 1.00 0.00 C ATOM 1855 O CYS A 120 -21.767 17.328 14.354 1.00 0.00 O ATOM 1856 CB CYS A 120 -22.265 15.578 11.946 1.00 0.00 C ATOM 1857 SG CYS A 120 -21.989 14.185 10.768 1.00 0.00 S ATOM 0 H CYS A 120 -20.153 15.271 14.049 1.00 0.00 H new ATOM 0 HA CYS A 120 -20.471 16.636 11.446 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -22.768 15.200 12.836 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.933 16.307 11.488 1.00 0.00 H new ATOM 1862 N ASP A 121 -20.801 18.741 12.876 1.00 0.00 N ATOM 1863 CA ASP A 121 -21.028 19.926 13.756 1.00 0.00 C ATOM 1864 C ASP A 121 -22.491 20.154 13.988 1.00 0.00 C ATOM 1865 O ASP A 121 -22.938 20.293 15.137 1.00 0.00 O ATOM 1866 CB ASP A 121 -20.439 21.190 13.167 1.00 0.00 C ATOM 1867 CG ASP A 121 -20.720 22.434 14.000 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -21.758 23.092 13.773 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -19.908 22.751 14.876 1.00 0.00 O ATOM 0 H ASP A 121 -20.334 18.938 11.991 1.00 0.00 H new ATOM 0 HA ASP A 121 -20.530 19.704 14.700 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -19.361 21.066 13.065 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -20.840 21.335 12.164 1.00 0.00 H new ATOM 1874 N ARG A 122 -23.260 20.134 12.884 1.00 0.00 N ATOM 1875 CA ARG A 122 -24.699 20.323 12.959 1.00 0.00 C ATOM 1876 C ARG A 122 -25.042 21.562 13.802 1.00 0.00 C ATOM 1877 O ARG A 122 -25.180 22.647 13.213 1.00 0.00 O ATOM 1878 CB ARG A 122 -25.324 19.071 13.569 1.00 0.00 C ATOM 1879 CG ARG A 122 -26.829 19.177 13.886 1.00 0.00 C ATOM 1880 CD ARG A 122 -27.380 17.877 14.477 1.00 0.00 C ATOM 1881 NE ARG A 122 -27.395 16.756 13.530 1.00 0.00 N ATOM 1882 CZ ARG A 122 -27.704 15.502 13.883 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -27.808 15.170 15.186 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -27.905 14.579 12.942 1.00 0.00 N ATOM 0 H ARG A 122 -22.901 19.989 11.940 1.00 0.00 H new ATOM 0 HA ARG A 122 -25.098 20.484 11.958 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -25.171 18.237 12.884 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -24.791 18.830 14.489 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -26.996 19.994 14.588 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -27.376 19.422 12.975 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -26.780 17.600 15.344 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -28.395 18.052 14.834 1.00 0.00 H new ATOM 0 HE ARG A 122 -27.158 16.941 12.555 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -27.651 15.875 15.906 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -28.044 14.214 15.451 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -27.823 14.829 11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -28.141 13.623 13.208 1.00 0.00 H new TER 1898 ARG A 122