USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 934 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 GLN :FLIP amide:sc= 0.225 F(o=-0.0016,f=0.64) USER MOD Set 1.2: A 101 SER OG : rot 135:sc= 0.417 USER MOD Set 2.1: A 71 ASN :FLIP amide:sc= -2.15 F(o=-6.5!,f=-2.3) USER MOD Set 2.2: A 73 MET CE :methyl -122:sc= -0.201 (180deg=-0.177) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -142:sc= -0.236 (180deg=-1.97!) USER MOD Single : A 3 ASN : amide:sc= -0.743 X(o=-0.74,f=-0.47) USER MOD Single : A 14 THR OG1 : rot 13:sc= 0.554! USER MOD Single : A 15 GLN : amide:sc= -5.71! C(o=-5.7!,f=-9.6!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 100:sc= 0.976 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.416 K(o=-0.42,f=-3.8!) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.749 USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0606 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -57:sc=0.000508 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.0285 K(o=-0.028,f=-1.6!) 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+ -126:sc= 0.0333 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= -0.214 X(o=-0.21,f=-0.52) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN :FLIP amide:sc= -3.52! C(o=-4.2!,f=-3.5!) USER MOD Single : A 84 SER OG : rot 168:sc= -2.36! USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -160:sc= -0.118 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 33:sc= -1.84 USER MOD Single : A 99 SER OG : rot -132:sc= 1.13 USER MOD Single : A 100 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 -27:sc= 1.13 USER MOD Single : A 110 THR OG1 : rot 120:sc= 1.03 USER MOD Single : A 115 GLN : amide:sc= -4.82! C(o=-4.8!,f=-6.8!) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 24.300 -6.909 -16.758 1.00 0.00 N ATOM 2 CA GLN A 1 23.982 -8.329 -16.812 1.00 0.00 C ATOM 3 C GLN A 1 22.447 -8.571 -16.718 1.00 0.00 C ATOM 4 O GLN A 1 21.787 -8.824 -17.713 1.00 0.00 O ATOM 5 CB GLN A 1 24.702 -8.886 -15.630 1.00 0.00 C ATOM 6 CG GLN A 1 26.188 -8.756 -15.797 1.00 0.00 C ATOM 7 CD GLN A 1 26.913 -9.083 -14.557 1.00 0.00 C ATOM 8 OE1 GLN A 1 27.262 -10.202 -14.292 1.00 0.00 O ATOM 9 NE2 GLN A 1 27.100 -8.041 -13.742 1.00 0.00 N ATOM 0 H1 GLN A 1 25.086 -6.704 -17.408 1.00 0.00 H new ATOM 0 H2 GLN A 1 23.465 -6.355 -17.039 1.00 0.00 H new ATOM 0 H3 GLN A 1 24.576 -6.652 -15.789 1.00 0.00 H new ATOM 0 HA GLN A 1 24.282 -8.799 -17.749 1.00 0.00 H new ATOM 0 HB2 GLN A 1 24.386 -8.363 -14.727 1.00 0.00 H new ATOM 0 HB3 GLN A 1 24.437 -9.935 -15.499 1.00 0.00 H new ATOM 0 HG2 GLN A 1 26.522 -9.416 -16.597 1.00 0.00 H new ATOM 0 HG3 GLN A 1 26.431 -7.738 -16.101 1.00 0.00 H new ATOM 0 HE21 GLN A 1 26.782 -7.113 -14.020 1.00 0.00 H new ATOM 0 HE22 GLN A 1 27.560 -8.174 -12.842 1.00 0.00 H new ATOM 18 N CYS A 2 21.921 -8.475 -15.500 1.00 0.00 N ATOM 19 CA CYS A 2 20.472 -8.602 -15.197 1.00 0.00 C ATOM 20 C CYS A 2 19.767 -7.321 -15.617 1.00 0.00 C ATOM 21 O CYS A 2 18.551 -7.276 -15.735 1.00 0.00 O ATOM 22 CB CYS A 2 20.284 -8.951 -13.698 1.00 0.00 C ATOM 23 SG CYS A 2 21.254 -10.450 -13.253 1.00 0.00 S ATOM 0 H CYS A 2 22.489 -8.304 -14.670 1.00 0.00 H new ATOM 0 HA CYS A 2 20.019 -9.417 -15.762 1.00 0.00 H new ATOM 0 HB2 CYS A 2 20.601 -8.110 -13.081 1.00 0.00 H new ATOM 0 HB3 CYS A 2 19.228 -9.120 -13.488 1.00 0.00 H new ATOM 28 N ASN A 3 20.578 -6.268 -15.820 1.00 0.00 N ATOM 29 CA ASN A 3 20.122 -4.976 -16.261 1.00 0.00 C ATOM 30 C ASN A 3 19.123 -4.313 -15.281 1.00 0.00 C ATOM 31 O ASN A 3 18.198 -3.633 -15.676 1.00 0.00 O ATOM 32 CB ASN A 3 19.486 -5.197 -17.633 1.00 0.00 C ATOM 33 CG ASN A 3 19.087 -3.952 -18.332 1.00 0.00 C ATOM 34 OD1 ASN A 3 19.903 -3.173 -18.794 1.00 0.00 O ATOM 35 ND2 ASN A 3 17.793 -3.772 -18.390 1.00 0.00 N ATOM 0 H ASN A 3 21.587 -6.312 -15.674 1.00 0.00 H new ATOM 0 HA ASN A 3 20.962 -4.283 -16.308 1.00 0.00 H new ATOM 0 HB2 ASN A 3 20.189 -5.743 -18.262 1.00 0.00 H new ATOM 0 HB3 ASN A 3 18.607 -5.830 -17.514 1.00 0.00 H new ATOM 0 HD21 ASN A 3 17.414 -2.940 -18.842 1.00 0.00 H new ATOM 0 HD22 ASN A 3 17.163 -4.463 -17.983 1.00 0.00 H new ATOM 42 N ALA A 4 19.415 -4.466 -13.983 1.00 0.00 N ATOM 43 CA ALA A 4 18.624 -3.852 -12.886 1.00 0.00 C ATOM 44 C ALA A 4 17.129 -4.150 -12.977 1.00 0.00 C ATOM 45 O ALA A 4 16.443 -3.704 -13.902 1.00 0.00 O ATOM 46 CB ALA A 4 18.880 -2.369 -12.816 1.00 0.00 C ATOM 0 H ALA A 4 20.207 -5.019 -13.654 1.00 0.00 H new ATOM 0 HA ALA A 4 18.965 -4.315 -11.960 1.00 0.00 H new ATOM 0 HB1 ALA A 4 18.292 -1.936 -12.007 1.00 0.00 H new ATOM 0 HB2 ALA A 4 19.939 -2.191 -12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 4 18.594 -1.905 -13.760 1.00 0.00 H new ATOM 52 N PRO A 5 16.584 -4.855 -11.995 1.00 0.00 N ATOM 53 CA PRO A 5 15.203 -5.297 -12.075 1.00 0.00 C ATOM 54 C PRO A 5 14.196 -4.142 -12.164 1.00 0.00 C ATOM 55 O PRO A 5 13.467 -4.014 -13.150 1.00 0.00 O ATOM 56 CB PRO A 5 14.990 -6.065 -10.768 1.00 0.00 C ATOM 57 CG PRO A 5 16.074 -5.597 -9.851 1.00 0.00 C ATOM 58 CD PRO A 5 17.239 -5.215 -10.729 1.00 0.00 C ATOM 0 HA PRO A 5 15.038 -5.886 -12.977 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.005 -5.861 -10.348 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.050 -7.141 -10.930 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.740 -4.746 -9.257 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.357 -6.383 -9.151 1.00 0.00 H new ATOM 0 HD2 PRO A 5 17.803 -4.380 -10.313 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.939 -6.041 -10.856 1.00 0.00 H new ATOM 66 N GLU A 6 14.223 -3.288 -11.141 1.00 0.00 N ATOM 67 CA GLU A 6 13.397 -2.084 -11.005 1.00 0.00 C ATOM 68 C GLU A 6 13.307 -1.717 -9.536 1.00 0.00 C ATOM 69 O GLU A 6 13.718 -2.504 -8.670 1.00 0.00 O ATOM 70 CB GLU A 6 11.964 -2.248 -11.592 1.00 0.00 C ATOM 71 CG GLU A 6 11.074 -3.251 -10.876 1.00 0.00 C ATOM 72 CD GLU A 6 9.682 -3.346 -11.481 1.00 0.00 C ATOM 73 OE1 GLU A 6 8.906 -2.391 -11.322 1.00 0.00 O ATOM 74 OE2 GLU A 6 9.357 -4.374 -12.116 1.00 0.00 O ATOM 0 H GLU A 6 14.849 -3.421 -10.347 1.00 0.00 H new ATOM 0 HA GLU A 6 13.878 -1.293 -11.581 1.00 0.00 H new ATOM 0 HB2 GLU A 6 11.471 -1.276 -11.578 1.00 0.00 H new ATOM 0 HB3 GLU A 6 12.050 -2.546 -12.637 1.00 0.00 H new ATOM 0 HG2 GLU A 6 11.545 -4.233 -10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.990 -2.970 -9.826 1.00 0.00 H new ATOM 81 N TRP A 7 12.827 -0.522 -9.245 1.00 0.00 N ATOM 82 CA TRP A 7 12.536 -0.177 -7.895 1.00 0.00 C ATOM 83 C TRP A 7 11.136 -0.593 -7.559 1.00 0.00 C ATOM 84 O TRP A 7 10.173 -0.085 -8.126 1.00 0.00 O ATOM 85 CB TRP A 7 12.744 1.316 -7.632 1.00 0.00 C ATOM 86 CG TRP A 7 12.333 1.728 -6.240 1.00 0.00 C ATOM 87 CD1 TRP A 7 12.921 1.371 -5.052 1.00 0.00 C ATOM 88 CD2 TRP A 7 11.269 2.631 -5.904 1.00 0.00 C ATOM 89 NE1 TRP A 7 12.257 1.956 -4.001 1.00 0.00 N ATOM 90 CE2 TRP A 7 11.247 2.750 -4.504 1.00 0.00 C ATOM 91 CE3 TRP A 7 10.331 3.342 -6.652 1.00 0.00 C ATOM 92 CZ2 TRP A 7 10.310 3.557 -3.844 1.00 0.00 C ATOM 93 CZ3 TRP A 7 9.410 4.139 -5.990 1.00 0.00 C ATOM 94 CH2 TRP A 7 9.411 4.234 -4.603 1.00 0.00 C ATOM 0 H TRP A 7 12.637 0.210 -9.929 1.00 0.00 H new ATOM 0 HA TRP A 7 13.232 -0.711 -7.248 1.00 0.00 H new ATOM 0 HB2 TRP A 7 13.794 1.564 -7.784 1.00 0.00 H new ATOM 0 HB3 TRP A 7 12.172 1.891 -8.360 1.00 0.00 H new ATOM 0 HD1 TRP A 7 13.781 0.724 -4.957 1.00 0.00 H new ATOM 0 HE1 TRP A 7 12.475 1.825 -3.013 1.00 0.00 H new ATOM 0 HE3 TRP A 7 10.322 3.273 -7.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 10.304 3.637 -2.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.680 4.695 -6.560 1.00 0.00 H new ATOM 0 HH2 TRP A 7 8.679 4.862 -4.117 1.00 0.00 H new ATOM 105 N LEU A 8 11.032 -1.512 -6.633 1.00 0.00 N ATOM 106 CA LEU A 8 9.760 -1.981 -6.195 1.00 0.00 C ATOM 107 C LEU A 8 9.321 -1.077 -5.089 1.00 0.00 C ATOM 108 O LEU A 8 9.826 -1.172 -3.991 1.00 0.00 O ATOM 109 CB LEU A 8 9.877 -3.414 -5.697 1.00 0.00 C ATOM 110 CG LEU A 8 8.559 -4.118 -5.401 1.00 0.00 C ATOM 111 CD1 LEU A 8 7.719 -4.254 -6.675 1.00 0.00 C ATOM 112 CD2 LEU A 8 8.822 -5.477 -4.794 1.00 0.00 C ATOM 0 H LEU A 8 11.828 -1.949 -6.169 1.00 0.00 H new ATOM 0 HA LEU A 8 9.036 -1.973 -7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 8 10.419 -3.996 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.481 -3.416 -4.790 1.00 0.00 H new ATOM 0 HG LEU A 8 7.997 -3.516 -4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.782 -4.760 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.506 -3.264 -7.078 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.270 -4.836 -7.414 1.00 0.00 H new ATOM 0 HD21 LEU A 8 7.874 -5.972 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.402 -6.081 -5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.381 -5.359 -3.866 1.00 0.00 H new ATOM 124 N PRO A 9 8.369 -0.199 -5.357 1.00 0.00 N ATOM 125 CA PRO A 9 8.017 0.884 -4.439 1.00 0.00 C ATOM 126 C PRO A 9 7.504 0.380 -3.096 1.00 0.00 C ATOM 127 O PRO A 9 7.577 1.082 -2.079 1.00 0.00 O ATOM 128 CB PRO A 9 6.908 1.642 -5.195 1.00 0.00 C ATOM 129 CG PRO A 9 6.363 0.640 -6.166 1.00 0.00 C ATOM 130 CD PRO A 9 7.525 -0.201 -6.566 1.00 0.00 C ATOM 0 HA PRO A 9 8.882 1.498 -4.188 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.134 1.996 -4.514 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.305 2.517 -5.709 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.580 0.035 -5.708 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.919 1.133 -7.031 1.00 0.00 H new ATOM 0 HD2 PRO A 9 7.217 -1.210 -6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.049 0.218 -7.425 1.00 0.00 H new ATOM 138 N PHE A 10 6.962 -0.826 -3.101 1.00 0.00 N ATOM 139 CA PHE A 10 6.438 -1.447 -1.908 1.00 0.00 C ATOM 140 C PHE A 10 7.625 -1.729 -0.960 1.00 0.00 C ATOM 141 O PHE A 10 7.533 -1.621 0.250 1.00 0.00 O ATOM 142 CB PHE A 10 5.846 -2.827 -2.204 1.00 0.00 C ATOM 143 CG PHE A 10 4.981 -2.957 -3.419 1.00 0.00 C ATOM 144 CD1 PHE A 10 4.083 -1.981 -3.821 1.00 0.00 C ATOM 145 CD2 PHE A 10 5.130 -4.088 -4.198 1.00 0.00 C ATOM 146 CE1 PHE A 10 3.344 -2.151 -4.975 1.00 0.00 C ATOM 147 CE2 PHE A 10 4.408 -4.267 -5.346 1.00 0.00 C ATOM 148 CZ PHE A 10 3.506 -3.295 -5.739 1.00 0.00 C ATOM 0 H PHE A 10 6.875 -1.400 -3.939 1.00 0.00 H new ATOM 0 HA PHE A 10 5.680 -0.781 -1.494 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.670 -3.534 -2.299 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.260 -3.135 -1.338 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.961 -1.085 -3.230 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.833 -4.849 -3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.640 -1.392 -5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 10 4.541 -5.159 -5.940 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.928 -3.428 -6.642 1.00 0.00 H new ATOM 158 N ALA A 11 8.737 -2.140 -1.591 1.00 0.00 N ATOM 159 CA ALA A 11 9.862 -2.735 -0.928 1.00 0.00 C ATOM 160 C ALA A 11 11.119 -1.896 -1.007 1.00 0.00 C ATOM 161 O ALA A 11 11.308 -1.115 -1.924 1.00 0.00 O ATOM 162 CB ALA A 11 10.127 -4.119 -1.539 1.00 0.00 C ATOM 0 H ALA A 11 8.861 -2.057 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 11 9.608 -2.814 0.129 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.981 -4.579 -1.041 1.00 0.00 H new ATOM 0 HB2 ALA A 11 9.247 -4.749 -1.408 1.00 0.00 H new ATOM 0 HB3 ALA A 11 10.341 -4.012 -2.602 1.00 0.00 H new ATOM 168 N ARG A 12 11.970 -2.039 -0.003 1.00 0.00 N ATOM 169 CA ARG A 12 13.276 -1.375 -0.017 1.00 0.00 C ATOM 170 C ARG A 12 14.410 -2.419 0.219 1.00 0.00 C ATOM 171 O ARG A 12 14.687 -2.811 1.357 1.00 0.00 O ATOM 172 CB ARG A 12 13.340 -0.169 0.992 1.00 0.00 C ATOM 173 CG ARG A 12 13.426 -0.502 2.489 1.00 0.00 C ATOM 174 CD ARG A 12 12.323 -1.447 2.955 1.00 0.00 C ATOM 175 NE ARG A 12 12.410 -1.684 4.396 1.00 0.00 N ATOM 176 CZ ARG A 12 13.430 -2.288 5.007 1.00 0.00 C ATOM 177 NH1 ARG A 12 14.428 -2.831 4.292 1.00 0.00 N ATOM 178 NH2 ARG A 12 13.436 -2.384 6.325 1.00 0.00 N ATOM 0 H ARG A 12 11.788 -2.602 0.828 1.00 0.00 H new ATOM 0 HA ARG A 12 13.428 -0.937 -1.003 1.00 0.00 H new ATOM 0 HB2 ARG A 12 14.205 0.441 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.456 0.449 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.396 -0.953 2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.372 0.422 3.065 1.00 0.00 H new ATOM 0 HD2 ARG A 12 11.349 -1.023 2.711 1.00 0.00 H new ATOM 0 HD3 ARG A 12 12.401 -2.394 2.422 1.00 0.00 H new ATOM 0 HE ARG A 12 11.634 -1.364 4.976 1.00 0.00 H new ATOM 0 HH11 ARG A 12 14.410 -2.783 3.273 1.00 0.00 H new ATOM 0 HH12 ARG A 12 15.204 -3.291 4.767 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.664 -1.998 6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.213 -2.845 6.799 1.00 0.00 H new ATOM 192 N PRO A 13 15.036 -2.917 -0.869 1.00 0.00 N ATOM 193 CA PRO A 13 16.122 -3.909 -0.796 1.00 0.00 C ATOM 194 C PRO A 13 17.410 -3.329 -0.222 1.00 0.00 C ATOM 195 O PRO A 13 17.658 -2.115 -0.337 1.00 0.00 O ATOM 196 CB PRO A 13 16.290 -4.362 -2.240 1.00 0.00 C ATOM 197 CG PRO A 13 15.939 -3.155 -3.025 1.00 0.00 C ATOM 198 CD PRO A 13 14.804 -2.480 -2.259 1.00 0.00 C ATOM 0 HA PRO A 13 15.885 -4.731 -0.121 1.00 0.00 H new ATOM 0 HB2 PRO A 13 17.310 -4.689 -2.442 1.00 0.00 H new ATOM 0 HB3 PRO A 13 15.634 -5.200 -2.477 1.00 0.00 H new ATOM 0 HG2 PRO A 13 16.796 -2.489 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.626 -3.422 -4.034 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.843 -1.395 -2.353 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.827 -2.796 -2.624 1.00 0.00 H new ATOM 206 N THR A 14 18.228 -4.183 0.367 1.00 0.00 N ATOM 207 CA THR A 14 19.456 -3.715 1.052 1.00 0.00 C ATOM 208 C THR A 14 20.732 -3.893 0.182 1.00 0.00 C ATOM 209 O THR A 14 21.815 -3.455 0.565 1.00 0.00 O ATOM 210 CB THR A 14 19.638 -4.473 2.423 1.00 0.00 C ATOM 211 OG1 THR A 14 21.004 -4.460 2.836 1.00 0.00 O ATOM 212 CG2 THR A 14 19.206 -5.932 2.281 1.00 0.00 C ATOM 0 H THR A 14 18.083 -5.192 0.394 1.00 0.00 H new ATOM 0 HA THR A 14 19.330 -2.647 1.231 1.00 0.00 H new ATOM 0 HB THR A 14 19.023 -3.961 3.163 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.502 -3.809 2.299 1.00 0.00 H new ATOM 0 HG21 THR A 14 19.336 -6.444 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.157 -5.974 1.987 1.00 0.00 H new ATOM 0 HG23 THR A 14 19.816 -6.420 1.520 1.00 0.00 H new ATOM 220 N GLN A 15 20.593 -4.519 -0.966 1.00 0.00 N ATOM 221 CA GLN A 15 21.770 -4.860 -1.801 1.00 0.00 C ATOM 222 C GLN A 15 21.841 -3.953 -3.036 1.00 0.00 C ATOM 223 O GLN A 15 22.802 -3.250 -3.293 1.00 0.00 O ATOM 224 CB GLN A 15 21.596 -6.287 -2.282 1.00 0.00 C ATOM 225 CG GLN A 15 21.365 -7.289 -1.190 1.00 0.00 C ATOM 226 CD GLN A 15 20.212 -8.155 -1.533 1.00 0.00 C ATOM 227 OE1 GLN A 15 20.201 -9.329 -1.264 1.00 0.00 O ATOM 228 NE2 GLN A 15 19.168 -7.518 -2.098 1.00 0.00 N ATOM 0 H GLN A 15 19.696 -4.808 -1.357 1.00 0.00 H new ATOM 0 HA GLN A 15 22.678 -4.733 -1.212 1.00 0.00 H new ATOM 0 HB2 GLN A 15 20.755 -6.323 -2.975 1.00 0.00 H new ATOM 0 HB3 GLN A 15 22.484 -6.578 -2.843 1.00 0.00 H new ATOM 0 HG2 GLN A 15 22.258 -7.898 -1.049 1.00 0.00 H new ATOM 0 HG3 GLN A 15 21.177 -6.775 -0.247 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.230 -6.521 -2.305 1.00 0.00 H new ATOM 0 HE22 GLN A 15 18.315 -8.032 -2.318 1.00 0.00 H new ATOM 237 N LEU A 16 20.722 -3.898 -3.678 1.00 0.00 N ATOM 238 CA LEU A 16 20.516 -3.261 -4.964 1.00 0.00 C ATOM 239 C LEU A 16 20.797 -1.772 -4.994 1.00 0.00 C ATOM 240 O LEU A 16 20.972 -1.203 -6.075 1.00 0.00 O ATOM 241 CB LEU A 16 19.107 -3.596 -5.448 1.00 0.00 C ATOM 242 CG LEU A 16 18.490 -2.665 -6.491 1.00 0.00 C ATOM 243 CD1 LEU A 16 17.565 -3.433 -7.400 1.00 0.00 C ATOM 244 CD2 LEU A 16 17.706 -1.574 -5.745 1.00 0.00 C ATOM 0 H LEU A 16 19.868 -4.317 -3.309 1.00 0.00 H new ATOM 0 HA LEU A 16 21.259 -3.665 -5.651 1.00 0.00 H new ATOM 0 HB2 LEU A 16 19.122 -4.604 -5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 16 18.447 -3.617 -4.581 1.00 0.00 H new ATOM 0 HG LEU A 16 19.273 -2.220 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 16 17.134 -2.755 -8.137 1.00 0.00 H new ATOM 0 HD12 LEU A 16 18.125 -4.216 -7.911 1.00 0.00 H new ATOM 0 HD13 LEU A 16 16.767 -3.883 -6.810 1.00 0.00 H new ATOM 0 HD21 LEU A 16 17.254 -0.893 -6.466 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.924 -2.036 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 16 18.383 -1.018 -5.097 1.00 0.00 H new ATOM 256 N THR A 17 20.858 -1.144 -3.852 1.00 0.00 N ATOM 257 CA THR A 17 21.029 0.298 -3.793 1.00 0.00 C ATOM 258 C THR A 17 22.324 0.717 -4.524 1.00 0.00 C ATOM 259 O THR A 17 22.332 1.706 -5.253 1.00 0.00 O ATOM 260 CB THR A 17 21.027 0.810 -2.299 1.00 0.00 C ATOM 261 OG1 THR A 17 21.345 2.209 -2.245 1.00 0.00 O ATOM 262 CG2 THR A 17 22.025 0.034 -1.430 1.00 0.00 C ATOM 0 H THR A 17 20.793 -1.601 -2.943 1.00 0.00 H new ATOM 0 HA THR A 17 20.184 0.764 -4.301 1.00 0.00 H new ATOM 0 HB THR A 17 20.024 0.644 -1.906 1.00 0.00 H new ATOM 0 HG1 THR A 17 21.338 2.510 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.993 0.416 -0.410 1.00 0.00 H new ATOM 0 HG22 THR A 17 21.761 -1.024 -1.430 1.00 0.00 H new ATOM 0 HG23 THR A 17 23.030 0.157 -1.832 1.00 0.00 H new ATOM 270 N ASP A 18 23.406 -0.022 -4.328 1.00 0.00 N ATOM 271 CA ASP A 18 24.668 0.303 -5.004 1.00 0.00 C ATOM 272 C ASP A 18 24.925 -0.689 -6.144 1.00 0.00 C ATOM 273 O ASP A 18 25.797 -0.484 -6.968 1.00 0.00 O ATOM 274 CB ASP A 18 25.848 0.233 -4.004 1.00 0.00 C ATOM 275 CG ASP A 18 27.170 0.769 -4.580 1.00 0.00 C ATOM 276 OD1 ASP A 18 27.309 2.003 -4.671 1.00 0.00 O ATOM 277 OD2 ASP A 18 28.077 -0.040 -4.897 1.00 0.00 O ATOM 0 H ASP A 18 23.444 -0.839 -3.718 1.00 0.00 H new ATOM 0 HA ASP A 18 24.590 1.314 -5.405 1.00 0.00 H new ATOM 0 HB2 ASP A 18 25.592 0.803 -3.111 1.00 0.00 H new ATOM 0 HB3 ASP A 18 25.989 -0.802 -3.692 1.00 0.00 H new ATOM 282 N GLU A 19 24.096 -1.737 -6.219 1.00 0.00 N ATOM 283 CA GLU A 19 24.316 -2.811 -7.139 1.00 0.00 C ATOM 284 C GLU A 19 23.020 -3.388 -7.683 1.00 0.00 C ATOM 285 O GLU A 19 22.452 -4.314 -7.174 1.00 0.00 O ATOM 286 CB GLU A 19 25.190 -3.875 -6.509 1.00 0.00 C ATOM 287 CG GLU A 19 24.674 -4.401 -5.196 1.00 0.00 C ATOM 288 CD GLU A 19 25.563 -5.470 -4.567 1.00 0.00 C ATOM 289 OE1 GLU A 19 26.524 -5.927 -5.224 1.00 0.00 O ATOM 290 OE2 GLU A 19 25.328 -5.805 -3.399 1.00 0.00 O ATOM 0 H GLU A 19 23.264 -1.845 -5.639 1.00 0.00 H new ATOM 0 HA GLU A 19 24.844 -2.403 -8.001 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.290 -4.707 -7.206 1.00 0.00 H new ATOM 0 HB3 GLU A 19 26.188 -3.465 -6.356 1.00 0.00 H new ATOM 0 HG2 GLU A 19 24.572 -3.570 -4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.677 -4.814 -5.348 1.00 0.00 H new ATOM 297 N PHE A 20 22.573 -2.735 -8.631 1.00 0.00 N ATOM 298 CA PHE A 20 21.463 -3.103 -9.453 1.00 0.00 C ATOM 299 C PHE A 20 21.728 -4.355 -10.316 1.00 0.00 C ATOM 300 O PHE A 20 20.836 -5.149 -10.541 1.00 0.00 O ATOM 301 CB PHE A 20 21.097 -1.898 -10.284 1.00 0.00 C ATOM 302 CG PHE A 20 20.475 -0.771 -9.474 1.00 0.00 C ATOM 303 CD1 PHE A 20 21.268 0.184 -8.846 1.00 0.00 C ATOM 304 CD2 PHE A 20 19.103 -0.655 -9.374 1.00 0.00 C ATOM 305 CE1 PHE A 20 20.701 1.219 -8.124 1.00 0.00 C ATOM 306 CE2 PHE A 20 18.525 0.371 -8.661 1.00 0.00 C ATOM 307 CZ PHE A 20 19.323 1.312 -8.029 1.00 0.00 C ATOM 0 H PHE A 20 22.983 -1.843 -8.909 1.00 0.00 H new ATOM 0 HA PHE A 20 20.626 -3.394 -8.818 1.00 0.00 H new ATOM 0 HB2 PHE A 20 21.991 -1.525 -10.784 1.00 0.00 H new ATOM 0 HB3 PHE A 20 20.399 -2.202 -11.064 1.00 0.00 H new ATOM 0 HD1 PHE A 20 22.343 0.116 -8.923 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.472 -1.382 -9.864 1.00 0.00 H new ATOM 0 HE1 PHE A 20 21.330 1.950 -7.637 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.449 0.443 -8.594 1.00 0.00 H new ATOM 0 HZ PHE A 20 18.871 2.115 -7.465 1.00 0.00 H new ATOM 317 N GLU A 21 22.948 -4.488 -10.822 1.00 0.00 N ATOM 318 CA GLU A 21 23.254 -5.552 -11.804 1.00 0.00 C ATOM 319 C GLU A 21 24.179 -6.661 -11.258 1.00 0.00 C ATOM 320 O GLU A 21 25.281 -6.410 -10.788 1.00 0.00 O ATOM 321 CB GLU A 21 23.839 -4.927 -13.063 1.00 0.00 C ATOM 322 CG GLU A 21 22.836 -4.085 -13.836 1.00 0.00 C ATOM 323 CD GLU A 21 23.458 -3.396 -15.036 1.00 0.00 C ATOM 324 OE1 GLU A 21 24.571 -2.860 -14.907 1.00 0.00 O ATOM 325 OE2 GLU A 21 22.834 -3.399 -16.113 1.00 0.00 O ATOM 0 H GLU A 21 23.738 -3.889 -10.582 1.00 0.00 H new ATOM 0 HA GLU A 21 22.313 -6.050 -12.035 1.00 0.00 H new ATOM 0 HB2 GLU A 21 24.691 -4.305 -12.790 1.00 0.00 H new ATOM 0 HB3 GLU A 21 24.216 -5.718 -13.712 1.00 0.00 H new ATOM 0 HG2 GLU A 21 22.015 -4.720 -14.171 1.00 0.00 H new ATOM 0 HG3 GLU A 21 22.408 -3.334 -13.172 1.00 0.00 H new ATOM 332 N PHE A 22 23.703 -7.912 -11.362 1.00 0.00 N ATOM 333 CA PHE A 22 24.465 -9.084 -10.911 1.00 0.00 C ATOM 334 C PHE A 22 24.497 -10.156 -12.022 1.00 0.00 C ATOM 335 O PHE A 22 23.907 -9.972 -13.053 1.00 0.00 O ATOM 336 CB PHE A 22 23.780 -9.725 -9.693 1.00 0.00 C ATOM 337 CG PHE A 22 23.329 -8.791 -8.657 1.00 0.00 C ATOM 338 CD1 PHE A 22 24.181 -8.376 -7.662 1.00 0.00 C ATOM 339 CD2 PHE A 22 22.036 -8.329 -8.663 1.00 0.00 C ATOM 340 CE1 PHE A 22 23.759 -7.508 -6.698 1.00 0.00 C ATOM 341 CE2 PHE A 22 21.608 -7.477 -7.704 1.00 0.00 C ATOM 342 CZ PHE A 22 22.467 -7.056 -6.718 1.00 0.00 C ATOM 0 H PHE A 22 22.790 -8.137 -11.757 1.00 0.00 H new ATOM 0 HA PHE A 22 25.472 -8.750 -10.661 1.00 0.00 H new ATOM 0 HB2 PHE A 22 22.920 -10.297 -10.041 1.00 0.00 H new ATOM 0 HB3 PHE A 22 24.473 -10.435 -9.241 1.00 0.00 H new ATOM 0 HD1 PHE A 22 25.197 -8.741 -7.643 1.00 0.00 H new ATOM 0 HD2 PHE A 22 21.356 -8.648 -9.439 1.00 0.00 H new ATOM 0 HE1 PHE A 22 24.439 -7.180 -5.925 1.00 0.00 H new ATOM 0 HE2 PHE A 22 20.587 -7.126 -7.713 1.00 0.00 H new ATOM 0 HZ PHE A 22 22.123 -6.369 -5.959 1.00 0.00 H new ATOM 352 N PRO A 23 25.269 -11.229 -11.840 1.00 0.00 N ATOM 353 CA PRO A 23 25.216 -12.430 -12.684 1.00 0.00 C ATOM 354 C PRO A 23 24.014 -13.334 -12.369 1.00 0.00 C ATOM 355 O PRO A 23 23.304 -13.120 -11.381 1.00 0.00 O ATOM 356 CB PRO A 23 26.504 -13.137 -12.411 1.00 0.00 C ATOM 357 CG PRO A 23 26.817 -12.788 -11.006 1.00 0.00 C ATOM 358 CD PRO A 23 26.306 -11.388 -10.795 1.00 0.00 C ATOM 0 HA PRO A 23 25.090 -12.164 -13.734 1.00 0.00 H new ATOM 0 HB2 PRO A 23 26.403 -14.214 -12.541 1.00 0.00 H new ATOM 0 HB3 PRO A 23 27.291 -12.807 -13.089 1.00 0.00 H new ATOM 0 HG2 PRO A 23 26.339 -13.484 -10.317 1.00 0.00 H new ATOM 0 HG3 PRO A 23 27.890 -12.842 -10.822 1.00 0.00 H new ATOM 0 HD2 PRO A 23 25.890 -11.261 -9.796 1.00 0.00 H new ATOM 0 HD3 PRO A 23 27.101 -10.651 -10.905 1.00 0.00 H new ATOM 366 N ILE A 24 23.818 -14.331 -13.201 1.00 0.00 N ATOM 367 CA ILE A 24 22.712 -15.298 -13.091 1.00 0.00 C ATOM 368 C ILE A 24 22.833 -16.206 -11.840 1.00 0.00 C ATOM 369 O ILE A 24 23.907 -16.690 -11.517 1.00 0.00 O ATOM 370 CB ILE A 24 22.643 -16.205 -14.368 1.00 0.00 C ATOM 371 CG1 ILE A 24 22.036 -15.424 -15.562 1.00 0.00 C ATOM 372 CG2 ILE A 24 21.850 -17.495 -14.100 1.00 0.00 C ATOM 373 CD1 ILE A 24 22.953 -14.404 -16.168 1.00 0.00 C ATOM 0 H ILE A 24 24.429 -14.510 -13.998 1.00 0.00 H new ATOM 0 HA ILE A 24 21.800 -14.708 -12.995 1.00 0.00 H new ATOM 0 HB ILE A 24 23.662 -16.492 -14.626 1.00 0.00 H new ATOM 0 HG12 ILE A 24 21.743 -16.135 -16.334 1.00 0.00 H new ATOM 0 HG13 ILE A 24 21.127 -14.924 -15.228 1.00 0.00 H new ATOM 0 HG21 ILE A 24 21.822 -18.100 -15.006 1.00 0.00 H new ATOM 0 HG22 ILE A 24 22.332 -18.059 -13.302 1.00 0.00 H new ATOM 0 HG23 ILE A 24 20.833 -17.241 -13.802 1.00 0.00 H new ATOM 0 HD11 ILE A 24 22.447 -13.906 -16.995 1.00 0.00 H new ATOM 0 HD12 ILE A 24 23.226 -13.667 -15.413 1.00 0.00 H new ATOM 0 HD13 ILE A 24 23.853 -14.897 -16.536 1.00 0.00 H new ATOM 385 N GLY A 25 21.693 -16.394 -11.130 1.00 0.00 N ATOM 386 CA GLY A 25 21.681 -17.218 -9.917 1.00 0.00 C ATOM 387 C GLY A 25 21.951 -16.447 -8.656 1.00 0.00 C ATOM 388 O GLY A 25 22.467 -16.989 -7.684 1.00 0.00 O ATOM 0 H GLY A 25 20.790 -15.990 -11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 25 20.711 -17.708 -9.831 1.00 0.00 H new ATOM 0 HA3 GLY A 25 22.428 -18.006 -10.017 1.00 0.00 H new ATOM 392 N THR A 26 21.597 -15.187 -8.668 1.00 0.00 N ATOM 393 CA THR A 26 21.819 -14.336 -7.531 1.00 0.00 C ATOM 394 C THR A 26 20.480 -14.030 -6.853 1.00 0.00 C ATOM 395 O THR A 26 19.551 -13.574 -7.492 1.00 0.00 O ATOM 396 CB THR A 26 22.496 -13.013 -7.958 1.00 0.00 C ATOM 397 OG1 THR A 26 23.751 -13.288 -8.590 1.00 0.00 O ATOM 398 CG2 THR A 26 22.747 -12.121 -6.752 1.00 0.00 C ATOM 0 H THR A 26 21.150 -14.726 -9.461 1.00 0.00 H new ATOM 0 HA THR A 26 22.478 -14.853 -6.834 1.00 0.00 H new ATOM 0 HB THR A 26 21.828 -12.503 -8.652 1.00 0.00 H new ATOM 0 HG1 THR A 26 23.644 -13.243 -9.563 1.00 0.00 H new ATOM 0 HG21 THR A 26 23.224 -11.196 -7.076 1.00 0.00 H new ATOM 0 HG22 THR A 26 21.799 -11.890 -6.267 1.00 0.00 H new ATOM 0 HG23 THR A 26 23.399 -12.637 -6.047 1.00 0.00 H new ATOM 406 N TYR A 27 20.419 -14.292 -5.552 1.00 0.00 N ATOM 407 CA TYR A 27 19.210 -14.047 -4.773 1.00 0.00 C ATOM 408 C TYR A 27 19.327 -12.729 -3.995 1.00 0.00 C ATOM 409 O TYR A 27 20.336 -12.453 -3.353 1.00 0.00 O ATOM 410 CB TYR A 27 18.955 -15.218 -3.779 1.00 0.00 C ATOM 411 CG TYR A 27 18.449 -16.513 -4.418 1.00 0.00 C ATOM 412 CD1 TYR A 27 19.291 -17.370 -5.111 1.00 0.00 C ATOM 413 CD2 TYR A 27 17.117 -16.890 -4.275 1.00 0.00 C ATOM 414 CE1 TYR A 27 18.808 -18.563 -5.656 1.00 0.00 C ATOM 415 CE2 TYR A 27 16.634 -18.073 -4.809 1.00 0.00 C ATOM 416 CZ TYR A 27 17.479 -18.898 -5.493 1.00 0.00 C ATOM 417 OH TYR A 27 16.999 -20.063 -6.024 1.00 0.00 O ATOM 0 H TYR A 27 21.195 -14.675 -5.013 1.00 0.00 H new ATOM 0 HA TYR A 27 18.371 -13.978 -5.465 1.00 0.00 H new ATOM 0 HB2 TYR A 27 19.882 -15.432 -3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 27 18.229 -14.891 -3.035 1.00 0.00 H new ATOM 0 HD1 TYR A 27 20.333 -17.112 -5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.443 -16.243 -3.734 1.00 0.00 H new ATOM 0 HE1 TYR A 27 19.471 -19.219 -6.201 1.00 0.00 H new ATOM 0 HE2 TYR A 27 15.595 -18.341 -4.685 1.00 0.00 H new ATOM 0 HH TYR A 27 16.045 -20.148 -5.818 1.00 0.00 H new ATOM 427 N LEU A 28 18.271 -11.923 -4.096 1.00 0.00 N ATOM 428 CA LEU A 28 18.206 -10.578 -3.480 1.00 0.00 C ATOM 429 C LEU A 28 17.211 -10.469 -2.344 1.00 0.00 C ATOM 430 O LEU A 28 16.139 -11.030 -2.385 1.00 0.00 O ATOM 431 CB LEU A 28 17.858 -9.506 -4.480 1.00 0.00 C ATOM 432 CG LEU A 28 18.957 -8.980 -5.359 1.00 0.00 C ATOM 433 CD1 LEU A 28 19.472 -10.048 -6.299 1.00 0.00 C ATOM 434 CD2 LEU A 28 18.481 -7.752 -6.073 1.00 0.00 C ATOM 0 H LEU A 28 17.426 -12.177 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 28 19.212 -10.429 -3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.070 -9.894 -5.126 1.00 0.00 H new ATOM 0 HB3 LEU A 28 17.435 -8.663 -3.933 1.00 0.00 H new ATOM 0 HG LEU A 28 19.810 -8.696 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU A 28 20.266 -9.634 -6.920 1.00 0.00 H new ATOM 0 HD12 LEU A 28 19.863 -10.884 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 28 18.658 -10.396 -6.935 1.00 0.00 H new ATOM 0 HD21 LEU A 28 19.278 -7.370 -6.711 1.00 0.00 H new ATOM 0 HD22 LEU A 28 17.614 -8.000 -6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 28 18.204 -6.991 -5.343 1.00 0.00 H new ATOM 446 N ASN A 29 17.593 -9.711 -1.358 1.00 0.00 N ATOM 447 CA ASN A 29 16.809 -9.462 -0.194 1.00 0.00 C ATOM 448 C ASN A 29 15.911 -8.206 -0.403 1.00 0.00 C ATOM 449 O ASN A 29 16.415 -7.066 -0.482 1.00 0.00 O ATOM 450 CB ASN A 29 17.759 -9.177 0.968 1.00 0.00 C ATOM 451 CG ASN A 29 17.040 -9.069 2.322 1.00 0.00 C ATOM 452 OD1 ASN A 29 15.847 -8.794 2.392 1.00 0.00 O ATOM 453 ND2 ASN A 29 17.783 -9.267 3.409 1.00 0.00 N ATOM 0 H ASN A 29 18.494 -9.233 -1.347 1.00 0.00 H new ATOM 0 HA ASN A 29 16.178 -10.328 0.007 1.00 0.00 H new ATOM 0 HB2 ASN A 29 18.505 -9.969 1.022 1.00 0.00 H new ATOM 0 HB3 ASN A 29 18.294 -8.248 0.772 1.00 0.00 H new ATOM 0 HD21 ASN A 29 17.362 -9.191 4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.773 -9.494 3.316 1.00 0.00 H new ATOM 460 N TYR A 30 14.625 -8.446 -0.553 1.00 0.00 N ATOM 461 CA TYR A 30 13.566 -7.392 -0.552 1.00 0.00 C ATOM 462 C TYR A 30 12.660 -7.468 0.672 1.00 0.00 C ATOM 463 O TYR A 30 12.159 -8.532 1.019 1.00 0.00 O ATOM 464 CB TYR A 30 12.715 -7.428 -1.846 1.00 0.00 C ATOM 465 CG TYR A 30 13.327 -6.762 -3.068 1.00 0.00 C ATOM 466 CD1 TYR A 30 14.496 -7.193 -3.673 1.00 0.00 C ATOM 467 CD2 TYR A 30 12.650 -5.707 -3.645 1.00 0.00 C ATOM 468 CE1 TYR A 30 14.973 -6.556 -4.818 1.00 0.00 C ATOM 469 CE2 TYR A 30 13.108 -5.079 -4.766 1.00 0.00 C ATOM 470 CZ TYR A 30 14.271 -5.501 -5.353 1.00 0.00 C ATOM 471 OH TYR A 30 14.740 -4.877 -6.493 1.00 0.00 O ATOM 0 H TYR A 30 14.254 -9.387 -0.683 1.00 0.00 H new ATOM 0 HA TYR A 30 14.097 -6.441 -0.511 1.00 0.00 H new ATOM 0 HB2 TYR A 30 12.507 -8.470 -2.091 1.00 0.00 H new ATOM 0 HB3 TYR A 30 11.757 -6.952 -1.640 1.00 0.00 H new ATOM 0 HD1 TYR A 30 15.041 -8.027 -3.256 1.00 0.00 H new ATOM 0 HD2 TYR A 30 11.729 -5.368 -3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 30 15.889 -6.889 -5.283 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.556 -4.253 -5.189 1.00 0.00 H new ATOM 0 HH TYR A 30 14.130 -4.152 -6.744 1.00 0.00 H new ATOM 481 N GLU A 31 12.398 -6.278 1.259 1.00 0.00 N ATOM 482 CA GLU A 31 11.541 -6.114 2.427 1.00 0.00 C ATOM 483 C GLU A 31 10.323 -5.278 2.088 1.00 0.00 C ATOM 484 O GLU A 31 10.452 -4.179 1.533 1.00 0.00 O ATOM 485 CB GLU A 31 12.278 -5.393 3.544 1.00 0.00 C ATOM 486 CG GLU A 31 13.433 -6.131 4.167 1.00 0.00 C ATOM 487 CD GLU A 31 13.019 -7.402 4.885 1.00 0.00 C ATOM 488 OE1 GLU A 31 11.824 -7.542 5.217 1.00 0.00 O ATOM 489 OE2 GLU A 31 13.892 -8.231 5.167 1.00 0.00 O ATOM 0 H GLU A 31 12.788 -5.399 0.920 1.00 0.00 H new ATOM 0 HA GLU A 31 11.246 -7.114 2.745 1.00 0.00 H new ATOM 0 HB2 GLU A 31 12.649 -4.445 3.153 1.00 0.00 H new ATOM 0 HB3 GLU A 31 11.561 -5.155 4.329 1.00 0.00 H new ATOM 0 HG2 GLU A 31 14.156 -6.380 3.391 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.938 -5.471 4.873 1.00 0.00 H new ATOM 496 N CYS A 32 9.148 -5.769 2.462 1.00 0.00 N ATOM 497 CA CYS A 32 7.904 -5.035 2.222 1.00 0.00 C ATOM 498 C CYS A 32 7.635 -4.060 3.350 1.00 0.00 C ATOM 499 O CYS A 32 8.036 -4.289 4.485 1.00 0.00 O ATOM 500 CB CYS A 32 6.658 -5.972 2.116 1.00 0.00 C ATOM 501 SG CYS A 32 6.593 -7.143 0.702 1.00 0.00 S ATOM 0 H CYS A 32 9.026 -6.667 2.930 1.00 0.00 H new ATOM 0 HA CYS A 32 8.046 -4.518 1.273 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.595 -6.553 3.036 1.00 0.00 H new ATOM 0 HB3 CYS A 32 5.768 -5.344 2.074 1.00 0.00 H new ATOM 506 N ARG A 33 7.006 -2.928 3.009 1.00 0.00 N ATOM 507 CA ARG A 33 6.530 -2.003 4.021 1.00 0.00 C ATOM 508 C ARG A 33 5.660 -2.781 4.977 1.00 0.00 C ATOM 509 O ARG A 33 5.001 -3.742 4.566 1.00 0.00 O ATOM 510 CB ARG A 33 5.701 -0.897 3.381 1.00 0.00 C ATOM 511 CG ARG A 33 6.501 0.077 2.519 1.00 0.00 C ATOM 512 CD ARG A 33 6.776 1.370 3.250 1.00 0.00 C ATOM 513 NE ARG A 33 7.578 1.191 4.486 1.00 0.00 N ATOM 514 CZ ARG A 33 8.912 1.380 4.539 1.00 0.00 C ATOM 515 NH1 ARG A 33 9.617 1.429 3.410 1.00 0.00 N ATOM 516 NH2 ARG A 33 9.539 1.468 5.720 1.00 0.00 N ATOM 0 H ARG A 33 6.821 -2.641 2.048 1.00 0.00 H new ATOM 0 HA ARG A 33 7.375 -1.548 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.924 -1.352 2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 33 5.197 -0.336 4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 33 7.444 -0.385 2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 33 5.952 0.287 1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.301 2.052 2.581 1.00 0.00 H new ATOM 0 HD3 ARG A 33 5.828 1.842 3.507 1.00 0.00 H new ATOM 0 HE ARG A 33 7.095 0.910 5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.148 1.324 2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.626 1.572 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.007 1.392 6.587 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.548 1.611 5.752 1.00 0.00 H new ATOM 530 N PRO A 34 5.622 -2.408 6.257 1.00 0.00 N ATOM 531 CA PRO A 34 4.840 -3.160 7.202 1.00 0.00 C ATOM 532 C PRO A 34 3.374 -3.148 6.806 1.00 0.00 C ATOM 533 O PRO A 34 2.860 -2.158 6.285 1.00 0.00 O ATOM 534 CB PRO A 34 5.047 -2.400 8.537 1.00 0.00 C ATOM 535 CG PRO A 34 6.248 -1.531 8.330 1.00 0.00 C ATOM 536 CD PRO A 34 6.332 -1.281 6.863 1.00 0.00 C ATOM 0 HA PRO A 34 5.136 -4.207 7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.170 -1.802 8.787 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.205 -3.095 9.362 1.00 0.00 H new ATOM 0 HG2 PRO A 34 6.150 -0.595 8.880 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.151 -2.022 8.694 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.870 -0.331 6.595 1.00 0.00 H new ATOM 0 HD3 PRO A 34 7.368 -1.238 6.527 1.00 0.00 H new ATOM 544 N GLY A 35 2.728 -4.249 7.046 1.00 0.00 N ATOM 545 CA GLY A 35 1.334 -4.373 6.751 1.00 0.00 C ATOM 546 C GLY A 35 1.019 -5.037 5.415 1.00 0.00 C ATOM 547 O GLY A 35 -0.146 -5.374 5.154 1.00 0.00 O ATOM 0 H GLY A 35 3.152 -5.084 7.451 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.858 -4.946 7.547 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.885 -3.380 6.762 1.00 0.00 H new ATOM 551 N TYR A 36 2.032 -5.268 4.578 1.00 0.00 N ATOM 552 CA TYR A 36 1.809 -5.998 3.331 1.00 0.00 C ATOM 553 C TYR A 36 1.798 -7.494 3.513 1.00 0.00 C ATOM 554 O TYR A 36 2.566 -8.064 4.278 1.00 0.00 O ATOM 555 CB TYR A 36 2.735 -5.569 2.183 1.00 0.00 C ATOM 556 CG TYR A 36 2.442 -4.209 1.590 1.00 0.00 C ATOM 557 CD1 TYR A 36 1.499 -4.099 0.574 1.00 0.00 C ATOM 558 CD2 TYR A 36 3.104 -3.050 1.999 1.00 0.00 C ATOM 559 CE1 TYR A 36 1.211 -2.889 -0.012 1.00 0.00 C ATOM 560 CE2 TYR A 36 2.830 -1.820 1.411 1.00 0.00 C ATOM 561 CZ TYR A 36 1.880 -1.746 0.409 1.00 0.00 C ATOM 562 OH TYR A 36 1.610 -0.538 -0.198 1.00 0.00 O ATOM 0 H TYR A 36 2.994 -4.968 4.736 1.00 0.00 H new ATOM 0 HA TYR A 36 0.803 -5.710 3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.763 -5.575 2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.672 -6.314 1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.981 -4.985 0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.842 -3.110 2.786 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.469 -2.827 -0.795 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.354 -0.932 1.733 1.00 0.00 H new ATOM 0 HH TYR A 36 2.159 0.163 0.211 1.00 0.00 H new ATOM 572 N SER A 37 0.871 -8.086 2.791 1.00 0.00 N ATOM 573 CA SER A 37 0.571 -9.499 2.870 1.00 0.00 C ATOM 574 C SER A 37 1.759 -10.358 2.469 1.00 0.00 C ATOM 575 O SER A 37 2.056 -11.373 3.119 1.00 0.00 O ATOM 576 CB SER A 37 -0.619 -9.816 1.958 1.00 0.00 C ATOM 577 OG SER A 37 -0.969 -11.174 2.030 1.00 0.00 O ATOM 0 H SER A 37 0.291 -7.586 2.117 1.00 0.00 H new ATOM 0 HA SER A 37 0.330 -9.731 3.907 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.473 -9.202 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.371 -9.556 0.929 1.00 0.00 H new ATOM 0 HG SER A 37 -1.732 -11.347 1.439 1.00 0.00 H new ATOM 583 N GLY A 38 2.426 -9.967 1.404 1.00 0.00 N ATOM 584 CA GLY A 38 3.539 -10.722 0.948 1.00 0.00 C ATOM 585 C GLY A 38 4.685 -10.642 1.924 1.00 0.00 C ATOM 586 O GLY A 38 4.936 -9.587 2.515 1.00 0.00 O ATOM 0 H GLY A 38 2.208 -9.137 0.853 1.00 0.00 H new ATOM 0 HA2 GLY A 38 3.245 -11.763 0.812 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.860 -10.351 -0.026 1.00 0.00 H new ATOM 590 N ARG A 39 5.392 -11.751 2.085 1.00 0.00 N ATOM 591 CA ARG A 39 6.532 -11.810 2.998 1.00 0.00 C ATOM 592 C ARG A 39 7.793 -11.478 2.164 1.00 0.00 C ATOM 593 O ARG A 39 7.641 -11.208 0.964 1.00 0.00 O ATOM 594 CB ARG A 39 6.593 -13.216 3.679 1.00 0.00 C ATOM 595 CG ARG A 39 7.010 -13.141 5.145 1.00 0.00 C ATOM 596 CD ARG A 39 5.999 -13.747 6.073 1.00 0.00 C ATOM 597 NE ARG A 39 6.272 -15.175 6.326 1.00 0.00 N ATOM 598 CZ ARG A 39 6.520 -15.713 7.536 1.00 0.00 C ATOM 599 NH1 ARG A 39 6.409 -14.991 8.663 1.00 0.00 N ATOM 600 NH2 ARG A 39 6.834 -16.974 7.606 1.00 0.00 N ATOM 0 H ARG A 39 5.199 -12.625 1.596 1.00 0.00 H new ATOM 0 HA ARG A 39 6.450 -11.089 3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.616 -13.693 3.607 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.297 -13.848 3.137 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.964 -13.652 5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.168 -12.098 5.419 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.002 -13.204 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.002 -13.638 5.646 1.00 0.00 H new ATOM 0 HE ARG A 39 6.273 -15.803 5.523 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.131 -14.011 8.615 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.603 -15.423 9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.888 -17.534 6.755 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.026 -17.402 8.512 1.00 0.00 H new ATOM 614 N PRO A 40 9.046 -11.452 2.728 1.00 0.00 N ATOM 615 CA PRO A 40 10.197 -11.081 1.921 1.00 0.00 C ATOM 616 C PRO A 40 10.397 -12.026 0.783 1.00 0.00 C ATOM 617 O PRO A 40 10.183 -13.235 0.895 1.00 0.00 O ATOM 618 CB PRO A 40 11.389 -11.136 2.890 1.00 0.00 C ATOM 619 CG PRO A 40 10.775 -11.108 4.239 1.00 0.00 C ATOM 620 CD PRO A 40 9.432 -11.756 4.106 1.00 0.00 C ATOM 0 HA PRO A 40 10.072 -10.097 1.470 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.979 -12.040 2.742 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.060 -10.290 2.742 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.395 -11.643 4.959 1.00 0.00 H new ATOM 0 HG3 PRO A 40 10.678 -10.084 4.600 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.485 -12.831 4.281 1.00 0.00 H new ATOM 0 HD3 PRO A 40 8.717 -11.351 4.823 1.00 0.00 H new ATOM 628 N PHE A 41 10.822 -11.477 -0.311 1.00 0.00 N ATOM 629 CA PHE A 41 11.027 -12.252 -1.490 1.00 0.00 C ATOM 630 C PHE A 41 12.374 -11.960 -2.095 1.00 0.00 C ATOM 631 O PHE A 41 12.895 -10.845 -2.000 1.00 0.00 O ATOM 632 CB PHE A 41 9.904 -12.008 -2.518 1.00 0.00 C ATOM 633 CG PHE A 41 10.081 -12.725 -3.817 1.00 0.00 C ATOM 634 CD1 PHE A 41 9.874 -14.087 -3.915 1.00 0.00 C ATOM 635 CD2 PHE A 41 10.463 -12.016 -4.952 1.00 0.00 C ATOM 636 CE1 PHE A 41 10.048 -14.748 -5.124 1.00 0.00 C ATOM 637 CE2 PHE A 41 10.635 -12.663 -6.157 1.00 0.00 C ATOM 638 CZ PHE A 41 10.427 -14.036 -6.243 1.00 0.00 C ATOM 0 H PHE A 41 11.035 -10.485 -0.411 1.00 0.00 H new ATOM 0 HA PHE A 41 11.000 -13.304 -1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 41 8.954 -12.311 -2.077 1.00 0.00 H new ATOM 0 HB3 PHE A 41 9.837 -10.938 -2.715 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.573 -14.645 -3.041 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.626 -10.950 -4.888 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.887 -15.814 -5.188 1.00 0.00 H new ATOM 0 HE2 PHE A 41 10.931 -12.105 -7.033 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.562 -14.544 -7.186 1.00 0.00 H new ATOM 648 N SER A 42 12.912 -12.951 -2.716 1.00 0.00 N ATOM 649 CA SER A 42 14.184 -12.848 -3.328 1.00 0.00 C ATOM 650 C SER A 42 14.059 -12.984 -4.835 1.00 0.00 C ATOM 651 O SER A 42 13.558 -13.996 -5.332 1.00 0.00 O ATOM 652 CB SER A 42 15.109 -13.935 -2.795 1.00 0.00 C ATOM 653 OG SER A 42 15.198 -13.859 -1.393 1.00 0.00 O ATOM 0 H SER A 42 12.473 -13.866 -2.813 1.00 0.00 H new ATOM 0 HA SER A 42 14.602 -11.869 -3.093 1.00 0.00 H new ATOM 0 HB2 SER A 42 14.736 -14.916 -3.089 1.00 0.00 H new ATOM 0 HB3 SER A 42 16.100 -13.826 -3.235 1.00 0.00 H new ATOM 0 HG SER A 42 15.505 -12.966 -1.133 1.00 0.00 H new ATOM 659 N ILE A 43 14.502 -11.970 -5.541 1.00 0.00 N ATOM 660 CA ILE A 43 14.490 -11.995 -6.999 1.00 0.00 C ATOM 661 C ILE A 43 15.782 -12.579 -7.505 1.00 0.00 C ATOM 662 O ILE A 43 16.868 -12.204 -7.060 1.00 0.00 O ATOM 663 CB ILE A 43 14.245 -10.576 -7.618 1.00 0.00 C ATOM 664 CG1 ILE A 43 15.311 -9.584 -7.191 1.00 0.00 C ATOM 665 CG2 ILE A 43 12.876 -10.049 -7.265 1.00 0.00 C ATOM 666 CD1 ILE A 43 15.206 -8.250 -7.887 1.00 0.00 C ATOM 0 H ILE A 43 14.877 -11.113 -5.136 1.00 0.00 H new ATOM 0 HA ILE A 43 13.656 -12.622 -7.315 1.00 0.00 H new ATOM 0 HB ILE A 43 14.303 -10.692 -8.700 1.00 0.00 H new ATOM 0 HG12 ILE A 43 15.242 -9.429 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 43 16.294 -10.012 -7.389 1.00 0.00 H new ATOM 0 HG21 ILE A 43 12.740 -9.063 -7.710 1.00 0.00 H new ATOM 0 HG22 ILE A 43 12.115 -10.729 -7.648 1.00 0.00 H new ATOM 0 HG23 ILE A 43 12.783 -9.974 -6.182 1.00 0.00 H new ATOM 0 HD11 ILE A 43 15.999 -7.591 -7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 43 15.306 -8.392 -8.963 1.00 0.00 H new ATOM 0 HD13 ILE A 43 14.237 -7.801 -7.669 1.00 0.00 H new ATOM 678 N ILE A 44 15.663 -13.542 -8.409 1.00 0.00 N ATOM 679 CA ILE A 44 16.811 -14.230 -8.912 1.00 0.00 C ATOM 680 C ILE A 44 16.898 -14.012 -10.413 1.00 0.00 C ATOM 681 O ILE A 44 15.898 -14.173 -11.114 1.00 0.00 O ATOM 682 CB ILE A 44 16.775 -15.752 -8.657 1.00 0.00 C ATOM 683 CG1 ILE A 44 16.220 -16.040 -7.288 1.00 0.00 C ATOM 684 CG2 ILE A 44 18.203 -16.300 -8.755 1.00 0.00 C ATOM 685 CD1 ILE A 44 14.727 -16.308 -7.303 1.00 0.00 C ATOM 0 H ILE A 44 14.774 -13.854 -8.801 1.00 0.00 H new ATOM 0 HA ILE A 44 17.674 -13.825 -8.384 1.00 0.00 H new ATOM 0 HB ILE A 44 16.135 -16.229 -9.400 1.00 0.00 H new ATOM 0 HG12 ILE A 44 16.735 -16.903 -6.866 1.00 0.00 H new ATOM 0 HG13 ILE A 44 16.426 -15.194 -6.632 1.00 0.00 H new ATOM 0 HG21 ILE A 44 18.193 -17.375 -8.577 1.00 0.00 H new ATOM 0 HG22 ILE A 44 18.602 -16.101 -9.750 1.00 0.00 H new ATOM 0 HG23 ILE A 44 18.831 -15.814 -8.008 1.00 0.00 H new ATOM 0 HD11 ILE A 44 14.383 -16.509 -6.288 1.00 0.00 H new ATOM 0 HD12 ILE A 44 14.205 -15.436 -7.697 1.00 0.00 H new ATOM 0 HD13 ILE A 44 14.519 -17.172 -7.935 1.00 0.00 H new ATOM 697 N CYS A 45 18.020 -13.576 -10.868 1.00 0.00 N ATOM 698 CA CYS A 45 18.283 -13.401 -12.295 1.00 0.00 C ATOM 699 C CYS A 45 18.183 -14.758 -12.973 1.00 0.00 C ATOM 700 O CYS A 45 19.122 -15.575 -12.932 1.00 0.00 O ATOM 701 CB CYS A 45 19.681 -12.830 -12.402 1.00 0.00 C ATOM 702 SG CYS A 45 20.253 -12.069 -13.967 1.00 0.00 S ATOM 0 H CYS A 45 18.806 -13.321 -10.270 1.00 0.00 H new ATOM 0 HA CYS A 45 17.570 -12.733 -12.778 1.00 0.00 H new ATOM 0 HB2 CYS A 45 19.782 -12.076 -11.621 1.00 0.00 H new ATOM 0 HB3 CYS A 45 20.377 -13.634 -12.161 1.00 0.00 H new ATOM 707 N LEU A 46 16.991 -15.012 -13.565 1.00 0.00 N ATOM 708 CA LEU A 46 16.663 -16.319 -14.102 1.00 0.00 C ATOM 709 C LEU A 46 16.190 -16.264 -15.548 1.00 0.00 C ATOM 710 O LEU A 46 16.912 -16.643 -16.453 1.00 0.00 O ATOM 711 CB LEU A 46 15.537 -16.945 -13.266 1.00 0.00 C ATOM 712 CG LEU A 46 15.870 -17.249 -11.805 1.00 0.00 C ATOM 713 CD1 LEU A 46 14.645 -17.704 -11.062 1.00 0.00 C ATOM 714 CD2 LEU A 46 16.967 -18.297 -11.694 1.00 0.00 C ATOM 0 H LEU A 46 16.252 -14.317 -13.674 1.00 0.00 H new ATOM 0 HA LEU A 46 17.577 -16.911 -14.063 1.00 0.00 H new ATOM 0 HB2 LEU A 46 14.679 -16.273 -13.289 1.00 0.00 H new ATOM 0 HB3 LEU A 46 15.228 -17.873 -13.747 1.00 0.00 H new ATOM 0 HG LEU A 46 16.233 -16.326 -11.353 1.00 0.00 H new ATOM 0 HD11 LEU A 46 14.906 -17.915 -10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.888 -16.920 -11.094 1.00 0.00 H new ATOM 0 HD13 LEU A 46 14.252 -18.608 -11.528 1.00 0.00 H new ATOM 0 HD21 LEU A 46 17.180 -18.491 -10.643 1.00 0.00 H new ATOM 0 HD22 LEU A 46 16.639 -19.219 -12.173 1.00 0.00 H new ATOM 0 HD23 LEU A 46 17.869 -17.933 -12.186 1.00 0.00 H new ATOM 726 N LYS A 47 14.973 -15.757 -15.752 1.00 0.00 N ATOM 727 CA LYS A 47 14.363 -15.796 -17.064 1.00 0.00 C ATOM 728 C LYS A 47 14.983 -14.796 -17.984 1.00 0.00 C ATOM 729 O LYS A 47 15.090 -13.623 -17.652 1.00 0.00 O ATOM 730 CB LYS A 47 12.861 -15.557 -16.930 1.00 0.00 C ATOM 731 CG LYS A 47 12.095 -15.597 -18.247 1.00 0.00 C ATOM 732 CD LYS A 47 12.289 -16.936 -18.963 1.00 0.00 C ATOM 733 CE LYS A 47 11.901 -18.092 -18.075 1.00 0.00 C ATOM 734 NZ LYS A 47 11.869 -19.387 -18.811 1.00 0.00 N ATOM 0 H LYS A 47 14.402 -15.321 -15.028 1.00 0.00 H new ATOM 0 HA LYS A 47 14.533 -16.780 -17.500 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.445 -16.308 -16.259 1.00 0.00 H new ATOM 0 HB3 LYS A 47 12.701 -14.587 -16.460 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.034 -15.434 -18.058 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.433 -14.785 -18.891 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.688 -16.955 -19.872 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.331 -17.041 -19.267 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.607 -18.164 -17.248 1.00 0.00 H new ATOM 0 HE3 LYS A 47 10.920 -17.900 -17.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 11.598 -20.150 -18.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.176 -19.330 -19.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.811 -19.586 -19.204 1.00 0.00 H new ATOM 748 N ASN A 48 15.391 -15.286 -19.134 1.00 0.00 N ATOM 749 CA ASN A 48 15.989 -14.476 -20.186 1.00 0.00 C ATOM 750 C ASN A 48 17.188 -13.702 -19.663 1.00 0.00 C ATOM 751 O ASN A 48 17.471 -12.593 -20.120 1.00 0.00 O ATOM 752 CB ASN A 48 14.952 -13.508 -20.756 1.00 0.00 C ATOM 753 CG ASN A 48 13.911 -14.224 -21.568 1.00 0.00 C ATOM 754 OD1 ASN A 48 14.145 -15.335 -22.034 1.00 0.00 O ATOM 755 ND2 ASN A 48 12.746 -13.616 -21.713 1.00 0.00 N ATOM 0 H ASN A 48 15.318 -16.275 -19.374 1.00 0.00 H new ATOM 0 HA ASN A 48 16.331 -15.144 -20.977 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.470 -12.969 -19.940 1.00 0.00 H new ATOM 0 HB3 ASN A 48 15.451 -12.765 -21.378 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.994 -14.071 -22.231 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.599 -12.692 -21.307 1.00 0.00 H new ATOM 762 N SER A 49 17.904 -14.315 -18.734 1.00 0.00 N ATOM 763 CA SER A 49 19.043 -13.684 -18.084 1.00 0.00 C ATOM 764 C SER A 49 18.638 -12.338 -17.429 1.00 0.00 C ATOM 765 O SER A 49 19.480 -11.490 -17.174 1.00 0.00 O ATOM 766 CB SER A 49 20.188 -13.474 -19.081 1.00 0.00 C ATOM 767 OG SER A 49 20.318 -14.593 -19.968 1.00 0.00 O ATOM 0 H SER A 49 17.713 -15.263 -18.409 1.00 0.00 H new ATOM 0 HA SER A 49 19.390 -14.352 -17.295 1.00 0.00 H new ATOM 0 HB2 SER A 49 20.008 -12.568 -19.659 1.00 0.00 H new ATOM 0 HB3 SER A 49 21.122 -13.326 -18.539 1.00 0.00 H new ATOM 0 HG SER A 49 21.055 -14.431 -20.594 1.00 0.00 H new ATOM 773 N VAL A 50 17.333 -12.157 -17.181 1.00 0.00 N ATOM 774 CA VAL A 50 16.834 -10.954 -16.541 1.00 0.00 C ATOM 775 C VAL A 50 16.477 -11.217 -15.064 1.00 0.00 C ATOM 776 O VAL A 50 17.326 -11.140 -14.207 1.00 0.00 O ATOM 777 CB VAL A 50 15.615 -10.354 -17.313 1.00 0.00 C ATOM 778 CG1 VAL A 50 15.137 -9.073 -16.677 1.00 0.00 C ATOM 779 CG2 VAL A 50 15.981 -10.119 -18.771 1.00 0.00 C ATOM 0 H VAL A 50 16.610 -12.837 -17.419 1.00 0.00 H new ATOM 0 HA VAL A 50 17.635 -10.215 -16.568 1.00 0.00 H new ATOM 0 HB VAL A 50 14.798 -11.074 -17.264 1.00 0.00 H new ATOM 0 HG11 VAL A 50 14.288 -8.682 -17.239 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.832 -9.269 -15.649 1.00 0.00 H new ATOM 0 HG13 VAL A 50 15.944 -8.341 -16.683 1.00 0.00 H new ATOM 0 HG21 VAL A 50 15.124 -9.701 -19.299 1.00 0.00 H new ATOM 0 HG22 VAL A 50 16.817 -9.422 -18.828 1.00 0.00 H new ATOM 0 HG23 VAL A 50 16.264 -11.065 -19.232 1.00 0.00 H new ATOM 789 N TRP A 51 15.221 -11.557 -14.781 1.00 0.00 N ATOM 790 CA TRP A 51 14.751 -11.806 -13.397 1.00 0.00 C ATOM 791 C TRP A 51 13.528 -12.692 -13.371 1.00 0.00 C ATOM 792 O TRP A 51 12.977 -13.052 -14.412 1.00 0.00 O ATOM 793 CB TRP A 51 14.418 -10.512 -12.652 1.00 0.00 C ATOM 794 CG TRP A 51 15.611 -9.642 -12.353 1.00 0.00 C ATOM 795 CD1 TRP A 51 15.964 -8.520 -13.017 1.00 0.00 C ATOM 796 CD2 TRP A 51 16.600 -9.828 -11.329 1.00 0.00 C ATOM 797 NE1 TRP A 51 17.102 -7.980 -12.483 1.00 0.00 N ATOM 798 CE2 TRP A 51 17.518 -8.766 -11.445 1.00 0.00 C ATOM 799 CE3 TRP A 51 16.813 -10.771 -10.326 1.00 0.00 C ATOM 800 CZ2 TRP A 51 18.624 -8.628 -10.597 1.00 0.00 C ATOM 801 CZ3 TRP A 51 17.907 -10.630 -9.498 1.00 0.00 C ATOM 802 CH2 TRP A 51 18.798 -9.564 -9.640 1.00 0.00 C ATOM 0 H TRP A 51 14.497 -11.670 -15.490 1.00 0.00 H new ATOM 0 HA TRP A 51 15.580 -12.305 -12.896 1.00 0.00 H new ATOM 0 HB2 TRP A 51 13.705 -9.939 -13.245 1.00 0.00 H new ATOM 0 HB3 TRP A 51 13.923 -10.764 -11.714 1.00 0.00 H new ATOM 0 HD1 TRP A 51 15.422 -8.106 -13.855 1.00 0.00 H new ATOM 0 HE1 TRP A 51 17.564 -7.130 -12.806 1.00 0.00 H new ATOM 0 HE3 TRP A 51 16.132 -11.600 -10.199 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 19.312 -7.803 -10.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 18.079 -11.361 -8.722 1.00 0.00 H new ATOM 0 HH2 TRP A 51 19.643 -9.487 -8.971 1.00 0.00 H new ATOM 813 N THR A 52 13.123 -13.069 -12.142 1.00 0.00 N ATOM 814 CA THR A 52 11.858 -13.759 -11.915 1.00 0.00 C ATOM 815 C THR A 52 10.701 -12.795 -12.308 1.00 0.00 C ATOM 816 O THR A 52 9.632 -13.225 -12.753 1.00 0.00 O ATOM 817 CB THR A 52 11.710 -14.261 -10.436 1.00 0.00 C ATOM 818 OG1 THR A 52 10.363 -14.599 -10.133 1.00 0.00 O ATOM 819 CG2 THR A 52 12.145 -13.207 -9.454 1.00 0.00 C ATOM 0 H THR A 52 13.664 -12.902 -11.294 1.00 0.00 H new ATOM 0 HA THR A 52 11.824 -14.655 -12.535 1.00 0.00 H new ATOM 0 HB THR A 52 12.345 -15.142 -10.349 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.304 -14.909 -9.205 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.030 -13.586 -8.439 1.00 0.00 H new ATOM 0 HG22 THR A 52 13.190 -12.954 -9.631 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.530 -12.316 -9.580 1.00 0.00 H new ATOM 827 N GLY A 53 10.935 -11.480 -12.115 1.00 0.00 N ATOM 828 CA GLY A 53 9.967 -10.448 -12.542 1.00 0.00 C ATOM 829 C GLY A 53 9.413 -9.576 -11.412 1.00 0.00 C ATOM 830 O GLY A 53 8.947 -8.470 -11.667 1.00 0.00 O ATOM 0 H GLY A 53 11.776 -11.111 -11.671 1.00 0.00 H new ATOM 0 HA2 GLY A 53 10.447 -9.802 -13.277 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.133 -10.938 -13.045 1.00 0.00 H new ATOM 834 N ALA A 54 9.503 -10.059 -10.176 1.00 0.00 N ATOM 835 CA ALA A 54 9.086 -9.275 -8.976 1.00 0.00 C ATOM 836 C ALA A 54 7.693 -8.600 -9.118 1.00 0.00 C ATOM 837 O ALA A 54 7.478 -7.480 -8.629 1.00 0.00 O ATOM 838 CB ALA A 54 10.160 -8.239 -8.648 1.00 0.00 C ATOM 0 H ALA A 54 9.859 -10.990 -9.960 1.00 0.00 H new ATOM 0 HA ALA A 54 8.982 -9.984 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.857 -7.666 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.103 -8.745 -8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 54 10.287 -7.566 -9.496 1.00 0.00 H new ATOM 844 N LYS A 55 6.763 -9.316 -9.730 1.00 0.00 N ATOM 845 CA LYS A 55 5.415 -8.796 -9.940 1.00 0.00 C ATOM 846 C LYS A 55 4.527 -8.902 -8.690 1.00 0.00 C ATOM 847 O LYS A 55 4.443 -9.972 -8.068 1.00 0.00 O ATOM 848 CB LYS A 55 4.733 -9.611 -11.003 1.00 0.00 C ATOM 849 CG LYS A 55 3.317 -9.140 -11.322 1.00 0.00 C ATOM 850 CD LYS A 55 2.706 -9.996 -12.383 1.00 0.00 C ATOM 851 CE LYS A 55 2.433 -11.380 -11.790 1.00 0.00 C ATOM 852 NZ LYS A 55 1.749 -12.301 -12.744 1.00 0.00 N ATOM 0 H LYS A 55 6.914 -10.258 -10.091 1.00 0.00 H new ATOM 0 HA LYS A 55 5.532 -7.747 -10.211 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.331 -9.578 -11.914 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.697 -10.652 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.704 -9.175 -10.421 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.339 -8.102 -11.652 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.780 -9.549 -12.744 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.376 -10.076 -13.239 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.376 -11.827 -11.476 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.819 -11.271 -10.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.591 -13.221 -12.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.835 -11.893 -13.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.344 -12.432 -13.587 1.00 0.00 H new ATOM 866 N ASP A 56 3.875 -7.783 -8.336 1.00 0.00 N ATOM 867 CA ASP A 56 2.791 -7.753 -7.309 1.00 0.00 C ATOM 868 C ASP A 56 3.251 -8.429 -6.019 1.00 0.00 C ATOM 869 O ASP A 56 2.458 -9.050 -5.297 1.00 0.00 O ATOM 870 CB ASP A 56 1.502 -8.421 -7.853 1.00 0.00 C ATOM 871 CG ASP A 56 0.801 -7.563 -8.916 1.00 0.00 C ATOM 872 OD1 ASP A 56 1.121 -6.362 -9.021 1.00 0.00 O ATOM 873 OD2 ASP A 56 -0.069 -8.101 -9.652 1.00 0.00 O ATOM 0 H ASP A 56 4.075 -6.870 -8.745 1.00 0.00 H new ATOM 0 HA ASP A 56 2.563 -6.711 -7.083 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.752 -9.392 -8.281 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.815 -8.604 -7.027 1.00 0.00 H new ATOM 878 N ARG A 57 4.524 -8.293 -5.738 1.00 0.00 N ATOM 879 CA ARG A 57 5.149 -9.050 -4.666 1.00 0.00 C ATOM 880 C ARG A 57 4.595 -8.723 -3.266 1.00 0.00 C ATOM 881 O ARG A 57 4.400 -9.631 -2.450 1.00 0.00 O ATOM 882 CB ARG A 57 6.666 -8.878 -4.718 1.00 0.00 C ATOM 883 CG ARG A 57 7.291 -9.493 -5.962 1.00 0.00 C ATOM 884 CD ARG A 57 7.104 -10.988 -5.966 1.00 0.00 C ATOM 885 NE ARG A 57 7.788 -11.681 -7.096 1.00 0.00 N ATOM 886 CZ ARG A 57 7.162 -12.358 -8.080 1.00 0.00 C ATOM 887 NH1 ARG A 57 5.844 -12.266 -8.225 1.00 0.00 N ATOM 888 NH2 ARG A 57 7.875 -13.097 -8.949 1.00 0.00 N ATOM 0 H ARG A 57 5.155 -7.664 -6.235 1.00 0.00 H new ATOM 0 HA ARG A 57 4.897 -10.097 -4.836 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.907 -7.816 -4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.109 -9.334 -3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.837 -9.062 -6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.354 -9.254 -5.998 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.477 -11.393 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.038 -11.211 -6.008 1.00 0.00 H new ATOM 0 HE ARG A 57 8.807 -11.640 -7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.301 -11.681 -7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 57 5.376 -12.780 -8.971 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.890 -13.146 -8.864 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.400 -13.609 -9.693 1.00 0.00 H new ATOM 902 N CYS A 58 4.321 -7.454 -2.986 1.00 0.00 N ATOM 903 CA CYS A 58 3.762 -7.100 -1.680 1.00 0.00 C ATOM 904 C CYS A 58 2.301 -6.798 -1.925 1.00 0.00 C ATOM 905 O CYS A 58 1.974 -6.121 -2.896 1.00 0.00 O ATOM 906 CB CYS A 58 4.408 -5.849 -1.156 1.00 0.00 C ATOM 907 SG CYS A 58 6.230 -5.945 -0.895 1.00 0.00 S ATOM 0 H CYS A 58 4.470 -6.671 -3.622 1.00 0.00 H new ATOM 0 HA CYS A 58 3.919 -7.905 -0.962 1.00 0.00 H new ATOM 0 HB2 CYS A 58 4.201 -5.036 -1.851 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.936 -5.587 -0.209 1.00 0.00 H new ATOM 912 N ARG A 59 1.402 -7.244 -1.056 1.00 0.00 N ATOM 913 CA ARG A 59 -0.018 -7.101 -1.373 1.00 0.00 C ATOM 914 C ARG A 59 -0.810 -6.458 -0.240 1.00 0.00 C ATOM 915 O ARG A 59 -0.512 -6.669 0.926 1.00 0.00 O ATOM 916 CB ARG A 59 -0.544 -8.463 -1.767 1.00 0.00 C ATOM 917 CG ARG A 59 0.186 -8.915 -3.012 1.00 0.00 C ATOM 918 CD ARG A 59 -0.151 -10.293 -3.495 1.00 0.00 C ATOM 919 NE ARG A 59 -1.534 -10.385 -3.970 1.00 0.00 N ATOM 920 CZ ARG A 59 -2.113 -11.511 -4.402 1.00 0.00 C ATOM 921 NH1 ARG A 59 -1.435 -12.660 -4.422 1.00 0.00 N ATOM 922 NH2 ARG A 59 -3.371 -11.486 -4.833 1.00 0.00 N ATOM 0 H ARG A 59 1.614 -7.689 -0.163 1.00 0.00 H new ATOM 0 HA ARG A 59 -0.142 -6.412 -2.209 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -0.391 -9.177 -0.958 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -1.617 -8.416 -1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.026 -8.207 -3.813 1.00 0.00 H new ATOM 0 HG3 ARG A 59 1.258 -8.869 -2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.528 -10.571 -4.301 1.00 0.00 H new ATOM 0 HD3 ARG A 59 0.003 -11.008 -2.687 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.094 -9.532 -3.971 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.466 -12.686 -4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.886 -13.513 -4.753 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -3.893 -10.609 -4.834 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -3.814 -12.343 -5.163 1.00 0.00 H new ATOM 936 N ARG A 60 -1.833 -5.671 -0.605 1.00 0.00 N ATOM 937 CA ARG A 60 -2.585 -4.892 0.366 1.00 0.00 C ATOM 938 C ARG A 60 -4.058 -5.398 0.459 1.00 0.00 C ATOM 939 O ARG A 60 -4.680 -5.761 -0.553 1.00 0.00 O ATOM 940 CB ARG A 60 -2.562 -3.423 -0.061 1.00 0.00 C ATOM 941 CG ARG A 60 -3.338 -3.149 -1.347 1.00 0.00 C ATOM 942 CD ARG A 60 -3.267 -1.695 -1.769 1.00 0.00 C ATOM 943 NE ARG A 60 -4.072 -1.410 -2.937 1.00 0.00 N ATOM 944 CZ ARG A 60 -3.924 -0.327 -3.712 1.00 0.00 C ATOM 945 NH1 ARG A 60 -2.744 0.287 -3.809 1.00 0.00 N ATOM 946 NH2 ARG A 60 -4.934 0.078 -4.473 1.00 0.00 N ATOM 0 H ARG A 60 -2.152 -5.563 -1.568 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.128 -5.003 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.978 -2.813 0.741 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.527 -3.109 -0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -2.943 -3.776 -2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.381 -3.432 -1.206 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.598 -1.065 -0.943 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.230 -1.432 -1.975 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.801 -2.078 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.941 -0.067 -3.290 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.645 1.111 -4.403 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.816 -0.435 -4.465 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -4.828 0.902 -5.065 1.00 0.00 H new ATOM 960 N LYS A 61 -4.567 -5.446 1.682 1.00 0.00 N ATOM 961 CA LYS A 61 -5.907 -5.983 2.013 1.00 0.00 C ATOM 962 C LYS A 61 -7.052 -4.970 1.746 1.00 0.00 C ATOM 963 O LYS A 61 -6.879 -3.761 1.910 1.00 0.00 O ATOM 964 CB LYS A 61 -5.913 -6.460 3.454 1.00 0.00 C ATOM 965 CG LYS A 61 -6.916 -7.603 3.796 1.00 0.00 C ATOM 966 CD LYS A 61 -8.360 -7.179 3.681 1.00 0.00 C ATOM 967 CE LYS A 61 -9.305 -8.300 4.004 1.00 0.00 C ATOM 968 NZ LYS A 61 -10.754 -7.904 3.925 1.00 0.00 N ATOM 0 H LYS A 61 -4.059 -5.108 2.500 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.103 -6.824 1.348 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.908 -6.799 3.707 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.133 -5.607 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.737 -8.446 3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.726 -7.953 4.811 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.547 -6.343 4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.553 -6.823 2.669 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.124 -9.127 3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.091 -8.667 5.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.228 -8.140 4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.825 -6.881 3.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.212 -8.418 3.145 1.00 0.00 H new ATOM 982 N SER A 62 -8.188 -5.493 1.291 1.00 0.00 N ATOM 983 CA SER A 62 -9.380 -4.705 1.043 1.00 0.00 C ATOM 984 C SER A 62 -9.906 -4.123 2.350 1.00 0.00 C ATOM 985 O SER A 62 -9.950 -4.784 3.382 1.00 0.00 O ATOM 986 CB SER A 62 -10.461 -5.577 0.409 1.00 0.00 C ATOM 987 OG SER A 62 -11.641 -4.838 0.126 1.00 0.00 O ATOM 0 H SER A 62 -8.302 -6.485 1.084 1.00 0.00 H new ATOM 0 HA SER A 62 -9.124 -3.893 0.363 1.00 0.00 H new ATOM 0 HB2 SER A 62 -10.079 -6.017 -0.512 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.702 -6.402 1.080 1.00 0.00 H new ATOM 0 HG SER A 62 -12.308 -5.430 -0.280 1.00 0.00 H new ATOM 993 N CYS A 63 -10.370 -2.923 2.273 1.00 0.00 N ATOM 994 CA CYS A 63 -10.829 -2.181 3.437 1.00 0.00 C ATOM 995 C CYS A 63 -12.335 -2.306 3.625 1.00 0.00 C ATOM 996 O CYS A 63 -13.001 -2.908 2.794 1.00 0.00 O ATOM 997 CB CYS A 63 -10.389 -0.731 3.313 1.00 0.00 C ATOM 998 SG CYS A 63 -8.591 -0.487 3.519 1.00 0.00 S ATOM 0 H CYS A 63 -10.450 -2.407 1.397 1.00 0.00 H new ATOM 0 HA CYS A 63 -10.376 -2.608 4.332 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -10.688 -0.353 2.336 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -10.915 -0.136 4.060 1.00 0.00 H new ATOM 1003 N ARG A 64 -12.859 -1.803 4.749 1.00 0.00 N ATOM 1004 CA ARG A 64 -14.281 -1.920 4.998 1.00 0.00 C ATOM 1005 C ARG A 64 -14.834 -0.631 5.604 1.00 0.00 C ATOM 1006 O ARG A 64 -14.140 0.077 6.311 1.00 0.00 O ATOM 1007 CB ARG A 64 -14.556 -3.075 5.984 1.00 0.00 C ATOM 1008 CG ARG A 64 -14.099 -2.768 7.426 1.00 0.00 C ATOM 1009 CD ARG A 64 -12.667 -3.227 7.723 1.00 0.00 C ATOM 1010 NE ARG A 64 -12.558 -4.687 7.704 1.00 0.00 N ATOM 1011 CZ ARG A 64 -11.462 -5.382 7.999 1.00 0.00 C ATOM 1012 NH1 ARG A 64 -10.335 -4.762 8.336 1.00 0.00 N ATOM 1013 NH2 ARG A 64 -11.495 -6.713 7.945 1.00 0.00 N ATOM 0 H ARG A 64 -12.328 -1.325 5.477 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.769 -2.115 4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -15.624 -3.294 5.987 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -14.047 -3.973 5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.172 -1.695 7.601 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.780 -3.252 8.126 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.987 -2.800 6.986 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.358 -2.850 8.698 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.391 -5.215 7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.304 -3.743 8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.501 -5.305 8.560 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.356 -7.191 7.679 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -10.660 -7.253 8.169 1.00 0.00 H new ATOM 1027 N ASN A 65 -16.082 -0.340 5.309 1.00 0.00 N ATOM 1028 CA ASN A 65 -16.792 0.753 5.949 1.00 0.00 C ATOM 1029 C ASN A 65 -18.302 0.512 5.867 1.00 0.00 C ATOM 1030 O ASN A 65 -19.019 1.279 5.254 1.00 0.00 O ATOM 1031 CB ASN A 65 -16.444 2.065 5.259 1.00 0.00 C ATOM 1032 CG ASN A 65 -17.089 3.258 5.920 1.00 0.00 C ATOM 1033 OD1 ASN A 65 -17.197 3.339 7.136 1.00 0.00 O ATOM 1034 ND2 ASN A 65 -17.553 4.158 5.122 1.00 0.00 N ATOM 0 H ASN A 65 -16.635 -0.851 4.621 1.00 0.00 H new ATOM 0 HA ASN A 65 -16.495 0.807 6.996 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -15.362 2.195 5.259 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.759 2.018 4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -18.031 4.976 5.499 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -17.442 4.052 4.114 1.00 0.00 H new ATOM 1041 N PRO A 66 -18.791 -0.634 6.412 1.00 0.00 N ATOM 1042 CA PRO A 66 -20.221 -0.900 6.480 1.00 0.00 C ATOM 1043 C PRO A 66 -21.012 0.014 7.454 1.00 0.00 C ATOM 1044 O PRO A 66 -22.190 0.242 7.215 1.00 0.00 O ATOM 1045 CB PRO A 66 -20.314 -2.378 6.912 1.00 0.00 C ATOM 1046 CG PRO A 66 -19.024 -2.663 7.583 1.00 0.00 C ATOM 1047 CD PRO A 66 -17.992 -1.785 6.927 1.00 0.00 C ATOM 0 HA PRO A 66 -20.683 -0.691 5.515 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -21.154 -2.540 7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -20.465 -3.032 6.053 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.088 -2.453 8.651 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -18.759 -3.715 7.480 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.232 -1.460 7.637 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.474 -2.307 6.122 1.00 0.00 H new ATOM 1055 N PRO A 67 -20.402 0.519 8.600 1.00 0.00 N ATOM 1056 CA PRO A 67 -21.118 1.406 9.533 1.00 0.00 C ATOM 1057 C PRO A 67 -21.573 2.725 8.885 1.00 0.00 C ATOM 1058 O PRO A 67 -22.620 3.264 9.265 1.00 0.00 O ATOM 1059 CB PRO A 67 -20.066 1.710 10.624 1.00 0.00 C ATOM 1060 CG PRO A 67 -18.768 1.452 9.947 1.00 0.00 C ATOM 1061 CD PRO A 67 -19.021 0.284 9.075 1.00 0.00 C ATOM 0 HA PRO A 67 -22.030 0.933 9.898 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -20.137 2.740 10.973 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -20.197 1.069 11.496 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -18.446 2.317 9.366 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.980 1.242 10.670 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -18.312 0.236 8.248 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -18.936 -0.655 9.622 1.00 0.00 H new ATOM 1069 N ASP A 68 -20.805 3.209 7.874 1.00 0.00 N ATOM 1070 CA ASP A 68 -21.098 4.493 7.206 1.00 0.00 C ATOM 1071 C ASP A 68 -21.104 5.674 8.212 1.00 0.00 C ATOM 1072 O ASP A 68 -21.023 5.487 9.421 1.00 0.00 O ATOM 1073 CB ASP A 68 -22.453 4.445 6.491 1.00 0.00 C ATOM 1074 CG ASP A 68 -22.443 3.590 5.262 1.00 0.00 C ATOM 1075 OD1 ASP A 68 -21.618 3.840 4.376 1.00 0.00 O ATOM 1076 OD2 ASP A 68 -23.286 2.670 5.165 1.00 0.00 O ATOM 0 H ASP A 68 -19.983 2.728 7.509 1.00 0.00 H new ATOM 0 HA ASP A 68 -20.305 4.654 6.476 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -23.207 4.068 7.182 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -22.748 5.458 6.218 1.00 0.00 H new ATOM 1081 N PRO A 69 -21.120 6.907 7.706 1.00 0.00 N ATOM 1082 CA PRO A 69 -21.298 8.087 8.519 1.00 0.00 C ATOM 1083 C PRO A 69 -22.726 8.123 9.037 1.00 0.00 C ATOM 1084 O PRO A 69 -23.611 7.529 8.434 1.00 0.00 O ATOM 1085 CB PRO A 69 -21.049 9.272 7.571 1.00 0.00 C ATOM 1086 CG PRO A 69 -20.530 8.695 6.334 1.00 0.00 C ATOM 1087 CD PRO A 69 -20.963 7.252 6.292 1.00 0.00 C ATOM 0 HA PRO A 69 -20.627 8.110 9.378 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.970 9.825 7.387 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.336 9.974 8.003 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.913 9.236 5.468 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -19.443 8.770 6.302 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -21.896 7.128 5.742 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -20.219 6.623 5.804 1.00 0.00 H new ATOM 1095 N VAL A 70 -22.951 8.799 10.141 1.00 0.00 N ATOM 1096 CA VAL A 70 -24.308 8.908 10.693 1.00 0.00 C ATOM 1097 C VAL A 70 -25.168 9.596 9.646 1.00 0.00 C ATOM 1098 O VAL A 70 -26.295 9.182 9.379 1.00 0.00 O ATOM 1099 CB VAL A 70 -24.324 9.729 11.994 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -25.769 9.926 12.479 1.00 0.00 C ATOM 1101 CG2 VAL A 70 -23.462 9.066 13.063 1.00 0.00 C ATOM 0 H VAL A 70 -22.230 9.281 10.678 1.00 0.00 H new ATOM 0 HA VAL A 70 -24.687 7.914 10.932 1.00 0.00 H new ATOM 0 HB VAL A 70 -23.898 10.712 11.794 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -25.767 10.508 13.400 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -26.340 10.455 11.716 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -26.226 8.954 12.665 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -23.488 9.664 13.974 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -23.846 8.068 13.273 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -22.434 8.992 12.707 1.00 0.00 H new ATOM 1111 N ASN A 71 -24.618 10.640 9.067 1.00 0.00 N ATOM 1112 CA ASN A 71 -25.233 11.330 7.952 1.00 0.00 C ATOM 1113 C ASN A 71 -25.346 10.356 6.743 1.00 0.00 C ATOM 1114 O ASN A 71 -26.319 10.392 5.998 1.00 0.00 O ATOM 1115 CB ASN A 71 -24.417 12.565 7.562 1.00 0.00 C ATOM 1116 CG ASN A 71 -25.127 13.438 6.551 1.00 0.00 C ATOM 1117 OD1 ASN A 71 -24.372 14.025 5.655 1.00 0.00 O flip ATOM 1118 ND2 ASN A 71 -26.337 13.593 6.589 1.00 0.00 N flip ATOM 0 H ASN A 71 -23.725 11.038 9.358 1.00 0.00 H new ATOM 0 HA ASN A 71 -26.229 11.662 8.246 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -24.203 13.151 8.456 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -23.458 12.247 7.152 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -26.890 13.118 7.303 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -26.795 14.197 5.907 1.00 0.00 H new ATOM 1125 N GLY A 72 -24.302 9.541 6.549 1.00 0.00 N ATOM 1126 CA GLY A 72 -24.263 8.564 5.468 1.00 0.00 C ATOM 1127 C GLY A 72 -23.635 9.128 4.264 1.00 0.00 C ATOM 1128 O GLY A 72 -23.729 8.557 3.167 1.00 0.00 O ATOM 0 H GLY A 72 -23.468 9.544 7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -23.710 7.682 5.791 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -25.276 8.236 5.234 1.00 0.00 H new ATOM 1132 N MET A 73 -22.959 10.248 4.439 1.00 0.00 N ATOM 1133 CA MET A 73 -22.384 10.929 3.330 1.00 0.00 C ATOM 1134 C MET A 73 -20.844 10.645 3.198 1.00 0.00 C ATOM 1135 O MET A 73 -20.009 11.401 3.689 1.00 0.00 O ATOM 1136 CB MET A 73 -22.660 12.430 3.478 1.00 0.00 C ATOM 1137 CG MET A 73 -22.280 13.255 2.293 1.00 0.00 C ATOM 1138 SD MET A 73 -22.506 15.025 2.524 1.00 0.00 S ATOM 1139 CE MET A 73 -24.280 15.167 2.689 1.00 0.00 C ATOM 0 H MET A 73 -22.803 10.693 5.344 1.00 0.00 H new ATOM 0 HA MET A 73 -22.842 10.559 2.413 1.00 0.00 H new ATOM 0 HB2 MET A 73 -23.722 12.572 3.677 1.00 0.00 H new ATOM 0 HB3 MET A 73 -22.120 12.800 4.349 1.00 0.00 H new ATOM 0 HG2 MET A 73 -21.235 13.062 2.050 1.00 0.00 H new ATOM 0 HG3 MET A 73 -22.871 12.933 1.436 1.00 0.00 H new ATOM 0 HE1 MET A 73 -24.664 15.838 1.921 1.00 0.00 H new ATOM 0 HE2 MET A 73 -24.736 14.184 2.573 1.00 0.00 H new ATOM 0 HE3 MET A 73 -24.523 15.566 3.674 1.00 0.00 H new ATOM 1149 N VAL A 74 -20.513 9.521 2.532 1.00 0.00 N ATOM 1150 CA VAL A 74 -19.121 9.214 2.151 1.00 0.00 C ATOM 1151 C VAL A 74 -18.990 9.173 0.620 1.00 0.00 C ATOM 1152 O VAL A 74 -19.733 8.500 -0.084 1.00 0.00 O ATOM 1153 CB VAL A 74 -18.659 7.796 2.711 1.00 0.00 C ATOM 1154 CG1 VAL A 74 -17.363 7.337 2.047 1.00 0.00 C ATOM 1155 CG2 VAL A 74 -18.419 7.869 4.169 1.00 0.00 C ATOM 0 H VAL A 74 -21.189 8.812 2.248 1.00 0.00 H new ATOM 0 HA VAL A 74 -18.494 9.997 2.578 1.00 0.00 H new ATOM 0 HB VAL A 74 -19.458 7.088 2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -17.072 6.366 2.449 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -17.515 7.253 0.971 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -16.575 8.063 2.246 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -18.104 6.892 4.535 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -17.638 8.602 4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -19.338 8.167 4.674 1.00 0.00 H new ATOM 1165 N HIS A 75 -18.023 9.923 0.150 1.00 0.00 N ATOM 1166 CA HIS A 75 -17.679 10.019 -1.272 1.00 0.00 C ATOM 1167 C HIS A 75 -17.064 8.733 -1.861 1.00 0.00 C ATOM 1168 O HIS A 75 -17.272 8.408 -3.017 1.00 0.00 O ATOM 1169 CB HIS A 75 -16.879 11.298 -1.583 1.00 0.00 C ATOM 1170 CG HIS A 75 -17.717 12.563 -1.440 1.00 0.00 C ATOM 1171 ND1 HIS A 75 -18.493 13.087 -2.462 1.00 0.00 N ATOM 1172 CD2 HIS A 75 -17.916 13.376 -0.378 1.00 0.00 C ATOM 1173 CE1 HIS A 75 -19.123 14.154 -2.038 1.00 0.00 C ATOM 1174 NE2 HIS A 75 -18.792 14.355 -0.776 1.00 0.00 N ATOM 0 H HIS A 75 -17.433 10.501 0.748 1.00 0.00 H new ATOM 0 HA HIS A 75 -18.624 10.114 -1.806 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -16.021 11.357 -0.913 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -16.487 11.239 -2.598 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -17.469 13.274 0.600 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -19.797 14.764 -2.621 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -19.133 15.117 -0.190 1.00 0.00 H new ATOM 1182 N VAL A 76 -16.247 8.052 -1.031 1.00 0.00 N ATOM 1183 CA VAL A 76 -15.495 6.817 -1.394 1.00 0.00 C ATOM 1184 C VAL A 76 -14.810 6.884 -2.779 1.00 0.00 C ATOM 1185 O VAL A 76 -15.348 6.440 -3.789 1.00 0.00 O ATOM 1186 CB VAL A 76 -16.342 5.507 -1.232 1.00 0.00 C ATOM 1187 CG1 VAL A 76 -17.676 5.586 -1.962 1.00 0.00 C ATOM 1188 CG2 VAL A 76 -15.537 4.285 -1.666 1.00 0.00 C ATOM 0 H VAL A 76 -16.083 8.346 -0.068 1.00 0.00 H new ATOM 0 HA VAL A 76 -14.691 6.768 -0.660 1.00 0.00 H new ATOM 0 HB VAL A 76 -16.576 5.401 -0.173 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -18.225 4.655 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -18.260 6.416 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -17.500 5.744 -3.026 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -16.144 3.388 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.250 4.391 -2.712 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.641 4.202 -1.051 1.00 0.00 H new ATOM 1198 N ILE A 77 -13.605 7.483 -2.798 1.00 0.00 N ATOM 1199 CA ILE A 77 -12.832 7.652 -4.050 1.00 0.00 C ATOM 1200 C ILE A 77 -12.419 6.313 -4.717 1.00 0.00 C ATOM 1201 O ILE A 77 -12.599 6.128 -5.917 1.00 0.00 O ATOM 1202 CB ILE A 77 -11.516 8.424 -3.753 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -11.787 9.772 -3.105 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -10.678 8.604 -5.014 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -10.519 10.415 -2.581 1.00 0.00 C ATOM 0 H ILE A 77 -13.145 7.857 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 77 -13.494 8.190 -4.729 1.00 0.00 H new ATOM 0 HB ILE A 77 -10.949 7.818 -3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -12.257 10.435 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -12.494 9.645 -2.286 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.765 9.148 -4.770 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.420 7.627 -5.422 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -11.249 9.167 -5.753 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -10.759 11.376 -2.126 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -10.063 9.765 -1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -9.821 10.568 -3.404 1.00 0.00 H new ATOM 1217 N LYS A 78 -11.875 5.394 -3.920 1.00 0.00 N ATOM 1218 CA LYS A 78 -11.297 4.146 -4.466 1.00 0.00 C ATOM 1219 C LYS A 78 -12.211 2.931 -4.428 1.00 0.00 C ATOM 1220 O LYS A 78 -11.883 1.910 -5.013 1.00 0.00 O ATOM 1221 CB LYS A 78 -9.986 3.832 -3.778 1.00 0.00 C ATOM 1222 CG LYS A 78 -8.943 4.894 -3.977 1.00 0.00 C ATOM 1223 CD LYS A 78 -8.533 4.982 -5.444 1.00 0.00 C ATOM 1224 CE LYS A 78 -7.503 6.055 -5.632 1.00 0.00 C ATOM 1225 NZ LYS A 78 -7.026 6.162 -7.038 1.00 0.00 N ATOM 0 H LYS A 78 -11.818 5.479 -2.905 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.140 4.349 -5.525 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.165 3.704 -2.711 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -9.604 2.883 -4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.330 5.857 -3.644 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -8.070 4.672 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.134 4.023 -5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.406 5.194 -6.061 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.923 7.012 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.653 5.854 -4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -6.316 6.919 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -6.599 5.260 -7.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.829 6.382 -7.661 1.00 0.00 H new ATOM 1239 N GLY A 79 -13.330 3.036 -3.771 1.00 0.00 N ATOM 1240 CA GLY A 79 -14.217 1.891 -3.670 1.00 0.00 C ATOM 1241 C GLY A 79 -13.931 0.997 -2.455 1.00 0.00 C ATOM 1242 O GLY A 79 -14.474 -0.114 -2.362 1.00 0.00 O ATOM 0 H GLY A 79 -13.654 3.882 -3.302 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -15.247 2.244 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.131 1.294 -4.578 1.00 0.00 H new ATOM 1246 N ILE A 80 -13.022 1.466 -1.551 1.00 0.00 N ATOM 1247 CA ILE A 80 -12.789 0.828 -0.227 1.00 0.00 C ATOM 1248 C ILE A 80 -11.623 -0.196 -0.274 1.00 0.00 C ATOM 1249 O ILE A 80 -11.841 -1.413 -0.371 1.00 0.00 O ATOM 1250 CB ILE A 80 -14.099 0.216 0.378 1.00 0.00 C ATOM 1251 CG1 ILE A 80 -15.217 1.268 0.481 1.00 0.00 C ATOM 1252 CG2 ILE A 80 -13.840 -0.352 1.737 1.00 0.00 C ATOM 1253 CD1 ILE A 80 -14.884 2.460 1.370 1.00 0.00 C ATOM 0 H ILE A 80 -12.439 2.286 -1.719 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.481 1.621 0.455 1.00 0.00 H new ATOM 0 HB ILE A 80 -14.422 -0.578 -0.296 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -15.450 1.631 -0.520 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -16.117 0.787 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -14.763 -0.771 2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -13.086 -1.136 1.666 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -13.482 0.437 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -15.728 3.150 1.384 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -14.682 2.113 2.383 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -14.004 2.971 0.979 1.00 0.00 H new ATOM 1265 N GLN A 81 -10.384 0.319 -0.257 1.00 0.00 N ATOM 1266 CA GLN A 81 -9.159 -0.517 -0.379 1.00 0.00 C ATOM 1267 C GLN A 81 -7.981 0.136 0.371 1.00 0.00 C ATOM 1268 O GLN A 81 -8.075 1.299 0.751 1.00 0.00 O ATOM 1269 CB GLN A 81 -8.826 -0.691 -1.866 1.00 0.00 C ATOM 1270 CG GLN A 81 -7.641 -1.584 -2.141 1.00 0.00 C ATOM 1271 CD GLN A 81 -7.874 -3.010 -1.705 1.00 0.00 C ATOM 1272 OE1 GLN A 81 -6.834 -3.629 -1.187 1.00 0.00 O flip ATOM 1273 NE2 GLN A 81 -8.976 -3.541 -1.801 1.00 0.00 N flip ATOM 0 H GLN A 81 -10.194 1.316 -0.160 1.00 0.00 H new ATOM 0 HA GLN A 81 -9.336 -1.494 0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -9.699 -1.099 -2.376 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.634 0.290 -2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -7.417 -1.566 -3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -6.766 -1.189 -1.625 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -9.756 -3.026 -2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -9.112 -4.497 -1.473 1.00 0.00 H new ATOM 1282 N PHE A 82 -6.899 -0.598 0.623 1.00 0.00 N ATOM 1283 CA PHE A 82 -5.720 0.011 1.246 1.00 0.00 C ATOM 1284 C PHE A 82 -5.135 1.070 0.334 1.00 0.00 C ATOM 1285 O PHE A 82 -4.915 0.837 -0.857 1.00 0.00 O ATOM 1286 CB PHE A 82 -4.653 -1.034 1.520 1.00 0.00 C ATOM 1287 CG PHE A 82 -3.337 -0.432 2.045 1.00 0.00 C ATOM 1288 CD1 PHE A 82 -3.237 0.048 3.341 1.00 0.00 C ATOM 1289 CD2 PHE A 82 -2.212 -0.343 1.225 1.00 0.00 C ATOM 1290 CE1 PHE A 82 -2.039 0.602 3.807 1.00 0.00 C ATOM 1291 CE2 PHE A 82 -1.035 0.210 1.692 1.00 0.00 C ATOM 1292 CZ PHE A 82 -0.953 0.679 2.979 1.00 0.00 C ATOM 0 H PHE A 82 -6.811 -1.592 0.412 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.036 0.461 2.187 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -5.033 -1.750 2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -4.452 -1.588 0.603 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -4.092 -0.006 3.998 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.262 -0.711 0.211 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.972 0.969 4.821 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.176 0.273 1.041 1.00 0.00 H new ATOM 0 HZ PHE A 82 -0.030 1.109 3.339 1.00 0.00 H new ATOM 1302 N GLY A 83 -4.903 2.234 0.907 1.00 0.00 N ATOM 1303 CA GLY A 83 -4.407 3.371 0.168 1.00 0.00 C ATOM 1304 C GLY A 83 -5.548 4.228 -0.317 1.00 0.00 C ATOM 1305 O GLY A 83 -5.350 5.321 -0.861 1.00 0.00 O ATOM 0 H GLY A 83 -5.054 2.415 1.899 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.745 3.962 0.801 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.815 3.029 -0.681 1.00 0.00 H new ATOM 1309 N SER A 84 -6.756 3.717 -0.115 1.00 0.00 N ATOM 1310 CA SER A 84 -7.957 4.419 -0.470 1.00 0.00 C ATOM 1311 C SER A 84 -8.216 5.572 0.458 1.00 0.00 C ATOM 1312 O SER A 84 -7.940 5.494 1.654 1.00 0.00 O ATOM 1313 CB SER A 84 -9.162 3.484 -0.489 1.00 0.00 C ATOM 1314 OG SER A 84 -10.367 4.190 -0.798 1.00 0.00 O ATOM 0 H SER A 84 -6.918 2.800 0.302 1.00 0.00 H new ATOM 0 HA SER A 84 -7.809 4.814 -1.475 1.00 0.00 H new ATOM 0 HB2 SER A 84 -9.001 2.696 -1.225 1.00 0.00 H new ATOM 0 HB3 SER A 84 -9.262 2.998 0.481 1.00 0.00 H new ATOM 0 HG SER A 84 -11.081 3.548 -0.993 1.00 0.00 H new ATOM 1320 N GLN A 85 -8.741 6.622 -0.084 1.00 0.00 N ATOM 1321 CA GLN A 85 -9.147 7.737 0.684 1.00 0.00 C ATOM 1322 C GLN A 85 -10.604 8.003 0.420 1.00 0.00 C ATOM 1323 O GLN A 85 -11.084 7.850 -0.705 1.00 0.00 O ATOM 1324 CB GLN A 85 -8.318 8.967 0.410 1.00 0.00 C ATOM 1325 CG GLN A 85 -8.695 10.146 1.315 1.00 0.00 C ATOM 1326 CD GLN A 85 -7.897 11.394 1.026 1.00 0.00 C ATOM 1327 OE1 GLN A 85 -7.433 12.039 2.078 1.00 0.00 O flip ATOM 1328 NE2 GLN A 85 -7.680 11.756 -0.125 1.00 0.00 N flip ATOM 0 H GLN A 85 -8.899 6.724 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 85 -8.993 7.499 1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -7.264 8.729 0.550 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.443 9.260 -0.633 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.756 10.364 1.194 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.545 9.859 2.356 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.061 11.224 -0.907 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.119 12.589 -0.300 1.00 0.00 H new ATOM 1337 N ILE A 86 -11.316 8.300 1.447 1.00 0.00 N ATOM 1338 CA ILE A 86 -12.728 8.568 1.359 1.00 0.00 C ATOM 1339 C ILE A 86 -12.999 9.876 2.033 1.00 0.00 C ATOM 1340 O ILE A 86 -12.177 10.347 2.822 1.00 0.00 O ATOM 1341 CB ILE A 86 -13.525 7.453 2.053 1.00 0.00 C ATOM 1342 CG1 ILE A 86 -13.116 7.396 3.532 1.00 0.00 C ATOM 1343 CG2 ILE A 86 -13.269 6.115 1.343 1.00 0.00 C ATOM 1344 CD1 ILE A 86 -13.918 6.467 4.367 1.00 0.00 C ATOM 0 H ILE A 86 -10.939 8.368 2.392 1.00 0.00 H new ATOM 0 HA ILE A 86 -13.033 8.609 0.313 1.00 0.00 H new ATOM 0 HB ILE A 86 -14.594 7.658 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -12.068 7.103 3.593 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -13.192 8.398 3.954 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.836 5.326 1.838 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -13.583 6.189 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.206 5.879 1.385 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -13.555 6.496 5.394 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -14.965 6.769 4.343 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -13.823 5.454 3.977 1.00 0.00 H new ATOM 1356 N LYS A 87 -14.106 10.483 1.737 1.00 0.00 N ATOM 1357 CA LYS A 87 -14.391 11.759 2.353 1.00 0.00 C ATOM 1358 C LYS A 87 -15.497 11.639 3.355 1.00 0.00 C ATOM 1359 O LYS A 87 -16.463 10.907 3.153 1.00 0.00 O ATOM 1360 CB LYS A 87 -14.810 12.769 1.289 1.00 0.00 C ATOM 1361 CG LYS A 87 -13.666 13.510 0.585 1.00 0.00 C ATOM 1362 CD LYS A 87 -12.779 12.561 -0.202 1.00 0.00 C ATOM 1363 CE LYS A 87 -11.737 13.310 -1.020 1.00 0.00 C ATOM 1364 NZ LYS A 87 -10.715 14.005 -0.182 1.00 0.00 N ATOM 0 H LYS A 87 -14.815 10.135 1.092 1.00 0.00 H new ATOM 0 HA LYS A 87 -13.485 12.093 2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -15.400 12.249 0.534 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.464 13.507 1.753 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -14.079 14.262 -0.087 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -13.066 14.039 1.325 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -12.280 11.877 0.484 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -13.395 11.954 -0.866 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -11.235 12.608 -1.685 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.239 14.044 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -10.036 14.495 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -11.185 14.698 0.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.211 13.307 0.402 1.00 0.00 H new ATOM 1378 N TYR A 88 -15.348 12.361 4.412 1.00 0.00 N ATOM 1379 CA TYR A 88 -16.359 12.496 5.381 1.00 0.00 C ATOM 1380 C TYR A 88 -16.886 13.875 5.362 1.00 0.00 C ATOM 1381 O TYR A 88 -16.342 14.773 5.961 1.00 0.00 O ATOM 1382 CB TYR A 88 -15.890 12.090 6.789 1.00 0.00 C ATOM 1383 CG TYR A 88 -15.808 10.589 7.012 1.00 0.00 C ATOM 1384 CD1 TYR A 88 -16.977 9.808 7.072 1.00 0.00 C ATOM 1385 CD2 TYR A 88 -14.600 9.946 7.151 1.00 0.00 C ATOM 1386 CE1 TYR A 88 -16.924 8.448 7.273 1.00 0.00 C ATOM 1387 CE2 TYR A 88 -14.536 8.587 7.359 1.00 0.00 C ATOM 1388 CZ TYR A 88 -15.700 7.839 7.422 1.00 0.00 C ATOM 1389 OH TYR A 88 -15.627 6.481 7.654 1.00 0.00 O ATOM 0 H TYR A 88 -14.497 12.882 4.623 1.00 0.00 H new ATOM 0 HA TYR A 88 -17.162 11.805 5.124 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.908 12.527 6.972 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -16.572 12.518 7.524 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -17.938 10.287 6.958 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -13.685 10.518 7.096 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -17.833 7.866 7.313 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.577 8.103 7.473 1.00 0.00 H new ATOM 0 HH TYR A 88 -14.688 6.213 7.734 1.00 0.00 H new ATOM 1399 N SER A 89 -17.946 14.035 4.647 1.00 0.00 N ATOM 1400 CA SER A 89 -18.609 15.291 4.560 1.00 0.00 C ATOM 1401 C SER A 89 -19.986 15.088 5.007 1.00 0.00 C ATOM 1402 O SER A 89 -20.601 14.068 4.727 1.00 0.00 O ATOM 1403 CB SER A 89 -18.581 15.821 3.119 1.00 0.00 C ATOM 1404 OG SER A 89 -19.208 17.097 3.015 1.00 0.00 O ATOM 0 H SER A 89 -18.381 13.291 4.101 1.00 0.00 H new ATOM 0 HA SER A 89 -18.108 16.031 5.185 1.00 0.00 H new ATOM 0 HB2 SER A 89 -17.548 15.894 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.085 15.113 2.461 1.00 0.00 H new ATOM 0 HG SER A 89 -19.171 17.405 2.085 1.00 0.00 H new ATOM 1410 N CYS A 90 -20.445 15.993 5.763 1.00 0.00 N ATOM 1411 CA CYS A 90 -21.751 15.928 6.273 1.00 0.00 C ATOM 1412 C CYS A 90 -22.654 16.927 5.498 1.00 0.00 C ATOM 1413 O CYS A 90 -22.561 17.102 4.297 1.00 0.00 O ATOM 1414 CB CYS A 90 -21.666 16.322 7.788 1.00 0.00 C ATOM 1415 SG CYS A 90 -20.355 15.448 8.750 1.00 0.00 S ATOM 0 H CYS A 90 -19.918 16.817 6.053 1.00 0.00 H new ATOM 0 HA CYS A 90 -22.179 14.931 6.163 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -21.493 17.396 7.859 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -22.631 16.123 8.254 1.00 0.00 H new ATOM 1420 N THR A 91 -23.338 17.639 6.246 1.00 0.00 N ATOM 1421 CA THR A 91 -24.359 18.615 5.842 1.00 0.00 C ATOM 1422 C THR A 91 -23.810 19.758 4.978 1.00 0.00 C ATOM 1423 O THR A 91 -22.759 20.285 5.242 1.00 0.00 O ATOM 1424 CB THR A 91 -24.955 19.194 7.117 1.00 0.00 C ATOM 1425 OG1 THR A 91 -25.805 18.233 7.775 1.00 0.00 O ATOM 1426 CG2 THR A 91 -25.665 20.515 6.890 1.00 0.00 C ATOM 0 H THR A 91 -23.234 17.595 7.260 1.00 0.00 H new ATOM 0 HA THR A 91 -25.098 18.100 5.228 1.00 0.00 H new ATOM 0 HB THR A 91 -24.120 19.415 7.783 1.00 0.00 H new ATOM 0 HG1 THR A 91 -26.412 18.698 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 91 -26.069 20.878 7.835 1.00 0.00 H new ATOM 0 HG22 THR A 91 -24.959 21.244 6.493 1.00 0.00 H new ATOM 0 HG23 THR A 91 -26.478 20.373 6.178 1.00 0.00 H new ATOM 1434 N LYS A 92 -24.531 20.115 3.927 1.00 0.00 N ATOM 1435 CA LYS A 92 -24.173 21.187 3.135 1.00 0.00 C ATOM 1436 C LYS A 92 -24.245 22.435 3.999 1.00 0.00 C ATOM 1437 O LYS A 92 -25.218 22.687 4.700 1.00 0.00 O ATOM 1438 CB LYS A 92 -25.186 21.316 2.017 1.00 0.00 C ATOM 1439 CG LYS A 92 -24.863 22.370 0.995 1.00 0.00 C ATOM 1440 CD LYS A 92 -23.657 21.994 0.171 1.00 0.00 C ATOM 1441 CE LYS A 92 -23.438 23.008 -0.899 1.00 0.00 C ATOM 1442 NZ LYS A 92 -22.258 22.686 -1.771 1.00 0.00 N ATOM 0 H LYS A 92 -25.383 19.638 3.631 1.00 0.00 H new ATOM 0 HA LYS A 92 -23.173 21.054 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -25.274 20.354 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -26.161 21.538 2.452 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -25.721 22.517 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -24.680 23.320 1.497 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -22.776 21.929 0.809 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -23.802 21.009 -0.273 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -24.333 23.077 -1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -23.290 23.986 -0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -22.152 23.423 -2.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -21.397 22.647 -1.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -22.407 21.765 -2.231 1.00 0.00 H new ATOM 1456 N GLY A 93 -23.231 23.180 3.914 1.00 0.00 N ATOM 1457 CA GLY A 93 -23.137 24.410 4.702 1.00 0.00 C ATOM 1458 C GLY A 93 -22.715 24.201 6.175 1.00 0.00 C ATOM 1459 O GLY A 93 -23.021 25.022 7.032 1.00 0.00 O ATOM 0 H GLY A 93 -22.428 22.993 3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -22.421 25.078 4.224 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -24.104 24.913 4.683 1.00 0.00 H new ATOM 1463 N TYR A 94 -22.036 23.098 6.456 1.00 0.00 N ATOM 1464 CA TYR A 94 -21.576 22.780 7.834 1.00 0.00 C ATOM 1465 C TYR A 94 -20.037 22.769 7.847 1.00 0.00 C ATOM 1466 O TYR A 94 -19.399 23.039 6.823 1.00 0.00 O ATOM 1467 CB TYR A 94 -22.065 21.365 8.282 1.00 0.00 C ATOM 1468 CG TYR A 94 -21.086 20.242 7.978 1.00 0.00 C ATOM 1469 CD1 TYR A 94 -20.563 20.094 6.723 1.00 0.00 C ATOM 1470 CD2 TYR A 94 -20.625 19.416 8.985 1.00 0.00 C ATOM 1471 CE1 TYR A 94 -19.610 19.136 6.444 1.00 0.00 C ATOM 1472 CE2 TYR A 94 -19.664 18.467 8.723 1.00 0.00 C ATOM 1473 CZ TYR A 94 -19.161 18.333 7.444 1.00 0.00 C ATOM 1474 OH TYR A 94 -18.218 17.381 7.176 1.00 0.00 O ATOM 0 H TYR A 94 -21.783 22.397 5.760 1.00 0.00 H new ATOM 0 HA TYR A 94 -21.982 23.531 8.512 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -22.259 21.383 9.355 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -23.013 21.148 7.790 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -20.905 20.743 5.930 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -21.022 19.516 9.985 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -19.225 19.026 5.441 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -19.304 17.828 9.516 1.00 0.00 H new ATOM 0 HH TYR A 94 -17.618 17.704 6.471 1.00 0.00 H new ATOM 1484 N ARG A 95 -19.450 22.462 8.999 1.00 0.00 N ATOM 1485 CA ARG A 95 -18.037 22.275 9.070 1.00 0.00 C ATOM 1486 C ARG A 95 -17.753 21.003 9.852 1.00 0.00 C ATOM 1487 O ARG A 95 -18.506 20.618 10.743 1.00 0.00 O ATOM 1488 CB ARG A 95 -17.351 23.471 9.710 1.00 0.00 C ATOM 1489 CG ARG A 95 -17.703 23.724 11.157 1.00 0.00 C ATOM 1490 CD ARG A 95 -16.935 24.917 11.680 1.00 0.00 C ATOM 1491 NE ARG A 95 -17.212 25.174 13.090 1.00 0.00 N ATOM 1492 CZ ARG A 95 -16.608 26.125 13.813 1.00 0.00 C ATOM 1493 NH1 ARG A 95 -15.772 26.970 13.230 1.00 0.00 N ATOM 1494 NH2 ARG A 95 -16.858 26.232 15.109 1.00 0.00 N ATOM 0 H ARG A 95 -19.943 22.342 9.884 1.00 0.00 H new ATOM 0 HA ARG A 95 -17.636 22.183 8.061 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -16.272 23.332 9.635 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -17.599 24.362 9.133 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -18.774 23.901 11.253 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -17.471 22.842 11.755 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -15.867 24.747 11.546 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -17.193 25.799 11.094 1.00 0.00 H new ATOM 0 HE ARG A 95 -17.910 24.592 13.554 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -15.588 26.897 12.229 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -15.312 27.694 13.781 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -17.511 25.589 15.557 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -16.397 26.957 15.659 1.00 0.00 H new ATOM 1508 N LEU A 96 -16.701 20.336 9.507 1.00 0.00 N ATOM 1509 CA LEU A 96 -16.387 19.077 10.169 1.00 0.00 C ATOM 1510 C LEU A 96 -15.262 19.317 11.169 1.00 0.00 C ATOM 1511 O LEU A 96 -14.222 19.855 10.812 1.00 0.00 O ATOM 1512 CB LEU A 96 -15.836 18.119 9.148 1.00 0.00 C ATOM 1513 CG LEU A 96 -15.616 16.679 9.613 1.00 0.00 C ATOM 1514 CD1 LEU A 96 -16.915 15.977 9.875 1.00 0.00 C ATOM 1515 CD2 LEU A 96 -14.826 15.928 8.658 1.00 0.00 C ATOM 0 H LEU A 96 -16.042 20.622 8.783 1.00 0.00 H new ATOM 0 HA LEU A 96 -17.284 18.688 10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -16.514 18.102 8.295 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -14.884 18.511 8.791 1.00 0.00 H new ATOM 0 HG LEU A 96 -15.063 16.732 10.551 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.717 14.957 10.203 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -17.465 16.508 10.652 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -17.508 15.955 8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -14.689 14.909 9.020 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.341 15.905 7.698 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -13.853 16.404 8.537 1.00 0.00 H new ATOM 1527 N ILE A 97 -15.505 18.973 12.428 1.00 0.00 N ATOM 1528 CA ILE A 97 -14.497 19.126 13.461 1.00 0.00 C ATOM 1529 C ILE A 97 -13.283 18.176 13.210 1.00 0.00 C ATOM 1530 O ILE A 97 -12.129 18.567 13.350 1.00 0.00 O ATOM 1531 CB ILE A 97 -15.097 18.838 14.856 1.00 0.00 C ATOM 1532 CG1 ILE A 97 -16.352 19.710 15.097 1.00 0.00 C ATOM 1533 CG2 ILE A 97 -14.063 19.067 15.956 1.00 0.00 C ATOM 1534 CD1 ILE A 97 -16.109 21.200 15.043 1.00 0.00 C ATOM 0 H ILE A 97 -16.391 18.587 12.754 1.00 0.00 H new ATOM 0 HA ILE A 97 -14.147 20.158 13.426 1.00 0.00 H new ATOM 0 HB ILE A 97 -15.393 17.789 14.887 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -17.105 19.452 14.352 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -16.769 19.459 16.072 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -14.512 18.857 16.927 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -13.212 18.404 15.799 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -13.726 20.103 15.929 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -17.045 21.728 15.223 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -15.383 21.478 15.807 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -15.723 21.470 14.060 1.00 0.00 H new ATOM 1546 N GLY A 98 -13.612 16.913 12.861 1.00 0.00 N ATOM 1547 CA GLY A 98 -12.623 15.874 12.614 1.00 0.00 C ATOM 1548 C GLY A 98 -12.103 15.817 11.211 1.00 0.00 C ATOM 1549 O GLY A 98 -12.266 16.766 10.438 1.00 0.00 O ATOM 0 H GLY A 98 -14.575 16.598 12.746 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -11.782 16.025 13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -13.063 14.908 12.862 1.00 0.00 H new ATOM 1553 N SER A 99 -11.435 14.704 10.880 1.00 0.00 N ATOM 1554 CA SER A 99 -10.829 14.582 9.562 1.00 0.00 C ATOM 1555 C SER A 99 -11.947 14.551 8.495 1.00 0.00 C ATOM 1556 O SER A 99 -12.907 13.787 8.617 1.00 0.00 O ATOM 1557 CB SER A 99 -10.002 13.264 9.451 1.00 0.00 C ATOM 1558 OG SER A 99 -9.187 13.277 8.295 1.00 0.00 O ATOM 0 H SER A 99 -11.306 13.899 11.493 1.00 0.00 H new ATOM 0 HA SER A 99 -10.166 15.432 9.405 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.380 13.144 10.338 1.00 0.00 H new ATOM 0 HB3 SER A 99 -10.676 12.408 9.416 1.00 0.00 H new ATOM 0 HG SER A 99 -9.292 12.431 7.811 1.00 0.00 H new ATOM 1564 N SER A 100 -11.771 15.321 7.439 1.00 0.00 N ATOM 1565 CA SER A 100 -12.716 15.391 6.329 1.00 0.00 C ATOM 1566 C SER A 100 -12.531 14.267 5.356 1.00 0.00 C ATOM 1567 O SER A 100 -13.300 14.115 4.408 1.00 0.00 O ATOM 1568 CB SER A 100 -12.669 16.764 5.639 1.00 0.00 C ATOM 1569 OG SER A 100 -11.386 17.037 5.101 1.00 0.00 O ATOM 0 H SER A 100 -10.958 15.926 7.321 1.00 0.00 H new ATOM 0 HA SER A 100 -13.715 15.273 6.750 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.412 16.796 4.842 1.00 0.00 H new ATOM 0 HB3 SER A 100 -12.936 17.541 6.356 1.00 0.00 H new ATOM 0 HG SER A 100 -11.393 17.916 4.669 1.00 0.00 H new ATOM 1575 N SER A 101 -11.519 13.488 5.575 1.00 0.00 N ATOM 1576 CA SER A 101 -11.274 12.337 4.762 1.00 0.00 C ATOM 1577 C SER A 101 -10.540 11.295 5.573 1.00 0.00 C ATOM 1578 O SER A 101 -9.912 11.605 6.570 1.00 0.00 O ATOM 1579 CB SER A 101 -10.462 12.745 3.533 1.00 0.00 C ATOM 1580 OG SER A 101 -9.301 13.466 3.915 1.00 0.00 O ATOM 0 H SER A 101 -10.839 13.631 6.322 1.00 0.00 H new ATOM 0 HA SER A 101 -12.219 11.910 4.426 1.00 0.00 H new ATOM 0 HB2 SER A 101 -10.176 11.857 2.969 1.00 0.00 H new ATOM 0 HB3 SER A 101 -11.076 13.358 2.873 1.00 0.00 H new ATOM 0 HG SER A 101 -8.530 13.138 3.407 1.00 0.00 H new ATOM 1586 N ALA A 102 -10.608 10.078 5.138 1.00 0.00 N ATOM 1587 CA ALA A 102 -9.981 9.006 5.819 1.00 0.00 C ATOM 1588 C ALA A 102 -9.162 8.236 4.854 1.00 0.00 C ATOM 1589 O ALA A 102 -9.565 8.036 3.715 1.00 0.00 O ATOM 1590 CB ALA A 102 -11.019 8.116 6.449 1.00 0.00 C ATOM 0 H ALA A 102 -11.107 9.804 4.291 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.340 9.398 6.609 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.527 7.295 6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -11.611 8.693 7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.672 7.714 5.674 1.00 0.00 H new ATOM 1596 N THR A 103 -8.047 7.793 5.301 1.00 0.00 N ATOM 1597 CA THR A 103 -7.164 7.036 4.474 1.00 0.00 C ATOM 1598 C THR A 103 -7.001 5.665 5.109 1.00 0.00 C ATOM 1599 O THR A 103 -6.759 5.556 6.309 1.00 0.00 O ATOM 1600 CB THR A 103 -5.784 7.720 4.345 1.00 0.00 C ATOM 1601 OG1 THR A 103 -5.965 9.055 3.837 1.00 0.00 O ATOM 1602 CG2 THR A 103 -4.903 6.944 3.359 1.00 0.00 C ATOM 0 H THR A 103 -7.713 7.942 6.253 1.00 0.00 H new ATOM 0 HA THR A 103 -7.583 6.958 3.471 1.00 0.00 H new ATOM 0 HB THR A 103 -5.307 7.743 5.325 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.093 9.495 3.755 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.933 7.434 3.275 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.765 5.924 3.719 1.00 0.00 H new ATOM 0 HG23 THR A 103 -5.384 6.921 2.381 1.00 0.00 H new ATOM 1610 N CYS A 104 -7.193 4.622 4.322 1.00 0.00 N ATOM 1611 CA CYS A 104 -7.135 3.299 4.866 1.00 0.00 C ATOM 1612 C CYS A 104 -5.736 2.740 4.846 1.00 0.00 C ATOM 1613 O CYS A 104 -5.100 2.649 3.786 1.00 0.00 O ATOM 1614 CB CYS A 104 -8.152 2.405 4.166 1.00 0.00 C ATOM 1615 SG CYS A 104 -8.489 0.848 5.030 1.00 0.00 S ATOM 0 H CYS A 104 -7.387 4.674 3.322 1.00 0.00 H new ATOM 0 HA CYS A 104 -7.408 3.340 5.920 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -9.086 2.955 4.054 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -7.792 2.180 3.162 1.00 0.00 H new ATOM 1620 N ILE A 105 -5.255 2.358 6.043 1.00 0.00 N ATOM 1621 CA ILE A 105 -3.897 1.854 6.231 1.00 0.00 C ATOM 1622 C ILE A 105 -3.919 0.525 6.987 1.00 0.00 C ATOM 1623 O ILE A 105 -4.937 0.166 7.604 1.00 0.00 O ATOM 1624 CB ILE A 105 -2.930 2.852 6.965 1.00 0.00 C ATOM 1625 CG1 ILE A 105 -3.360 3.100 8.426 1.00 0.00 C ATOM 1626 CG2 ILE A 105 -2.860 4.173 6.198 1.00 0.00 C ATOM 1627 CD1 ILE A 105 -4.565 3.995 8.594 1.00 0.00 C ATOM 0 H ILE A 105 -5.803 2.393 6.903 1.00 0.00 H new ATOM 0 HA ILE A 105 -3.500 1.720 5.225 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.940 2.397 6.990 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.572 2.139 8.895 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.521 3.540 8.966 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.188 4.858 6.714 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.487 3.989 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -3.855 4.614 6.142 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.789 4.109 9.655 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.355 4.973 8.161 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.422 3.550 8.088 1.00 0.00 H new ATOM 1639 N ILE A 106 -2.809 -0.219 6.938 1.00 0.00 N ATOM 1640 CA ILE A 106 -2.797 -1.554 7.550 1.00 0.00 C ATOM 1641 C ILE A 106 -2.551 -1.393 9.078 1.00 0.00 C ATOM 1642 O ILE A 106 -1.560 -0.768 9.483 1.00 0.00 O ATOM 1643 CB ILE A 106 -1.579 -2.391 7.053 1.00 0.00 C ATOM 1644 CG1 ILE A 106 -1.405 -2.404 5.512 1.00 0.00 C ATOM 1645 CG2 ILE A 106 -1.755 -3.827 7.550 1.00 0.00 C ATOM 1646 CD1 ILE A 106 -2.538 -2.959 4.710 1.00 0.00 C ATOM 0 H ILE A 106 -1.934 0.066 6.497 1.00 0.00 H new ATOM 0 HA ILE A 106 -3.742 -2.037 7.300 1.00 0.00 H new ATOM 0 HB ILE A 106 -0.681 -1.921 7.454 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.224 -1.381 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.509 -2.978 5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -0.914 -4.434 7.215 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -1.795 -3.833 8.639 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.682 -4.239 7.151 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -2.291 -2.911 3.649 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -2.712 -3.997 4.995 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.438 -2.375 4.900 1.00 0.00 H new ATOM 1658 N SER A 107 -3.447 -1.939 9.913 1.00 0.00 N ATOM 1659 CA SER A 107 -3.219 -1.983 11.372 1.00 0.00 C ATOM 1660 C SER A 107 -2.105 -2.934 11.707 1.00 0.00 C ATOM 1661 O SER A 107 -1.339 -2.750 12.663 1.00 0.00 O ATOM 1662 CB SER A 107 -4.506 -2.339 12.134 1.00 0.00 C ATOM 1663 OG SER A 107 -5.024 -3.603 11.728 1.00 0.00 O ATOM 0 H SER A 107 -4.329 -2.353 9.611 1.00 0.00 H new ATOM 0 HA SER A 107 -2.920 -0.985 11.694 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.303 -2.356 13.205 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.256 -1.566 11.964 1.00 0.00 H new ATOM 0 HG SER A 107 -4.754 -3.785 10.804 1.00 0.00 H new ATOM 1669 N GLY A 108 -2.053 -3.975 10.898 1.00 0.00 N ATOM 1670 CA GLY A 108 -1.130 -5.067 11.039 1.00 0.00 C ATOM 1671 C GLY A 108 -1.740 -6.287 10.445 1.00 0.00 C ATOM 1672 O GLY A 108 -1.425 -6.661 9.317 1.00 0.00 O ATOM 0 H GLY A 108 -2.678 -4.080 10.099 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.189 -4.834 10.540 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -0.900 -5.234 12.091 1.00 0.00 H new ATOM 1676 N ASP A 109 -2.605 -6.910 11.204 1.00 0.00 N ATOM 1677 CA ASP A 109 -3.354 -8.074 10.759 1.00 0.00 C ATOM 1678 C ASP A 109 -4.289 -7.726 9.602 1.00 0.00 C ATOM 1679 O ASP A 109 -4.422 -8.479 8.650 1.00 0.00 O ATOM 1680 CB ASP A 109 -4.142 -8.698 11.928 1.00 0.00 C ATOM 1681 CG ASP A 109 -3.239 -9.375 12.946 1.00 0.00 C ATOM 1682 OD1 ASP A 109 -2.438 -10.260 12.541 1.00 0.00 O ATOM 1683 OD2 ASP A 109 -3.329 -9.033 14.140 1.00 0.00 O ATOM 0 H ASP A 109 -2.817 -6.626 12.160 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.636 -8.810 10.397 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.725 -7.922 12.424 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.851 -9.427 11.535 1.00 0.00 H new ATOM 1688 N THR A 110 -4.921 -6.550 9.706 1.00 0.00 N ATOM 1689 CA THR A 110 -6.017 -6.135 8.842 1.00 0.00 C ATOM 1690 C THR A 110 -5.958 -4.609 8.539 1.00 0.00 C ATOM 1691 O THR A 110 -5.133 -3.898 9.115 1.00 0.00 O ATOM 1692 CB THR A 110 -7.374 -6.531 9.465 1.00 0.00 C ATOM 1693 OG1 THR A 110 -8.357 -6.634 8.447 1.00 0.00 O ATOM 1694 CG2 THR A 110 -7.812 -5.518 10.513 1.00 0.00 C ATOM 0 H THR A 110 -4.675 -5.852 10.408 1.00 0.00 H new ATOM 0 HA THR A 110 -5.913 -6.656 7.890 1.00 0.00 H new ATOM 0 HB THR A 110 -7.258 -7.497 9.956 1.00 0.00 H new ATOM 0 HG1 THR A 110 -8.717 -7.545 8.431 1.00 0.00 H new ATOM 0 HG21 THR A 110 -8.770 -5.822 10.935 1.00 0.00 H new ATOM 0 HG22 THR A 110 -7.066 -5.469 11.306 1.00 0.00 H new ATOM 0 HG23 THR A 110 -7.914 -4.537 10.050 1.00 0.00 H new ATOM 1702 N VAL A 111 -6.838 -4.114 7.643 1.00 0.00 N ATOM 1703 CA VAL A 111 -6.797 -2.709 7.200 1.00 0.00 C ATOM 1704 C VAL A 111 -7.962 -1.889 7.753 1.00 0.00 C ATOM 1705 O VAL A 111 -9.139 -2.314 7.737 1.00 0.00 O ATOM 1706 CB VAL A 111 -6.846 -2.635 5.654 1.00 0.00 C ATOM 1707 CG1 VAL A 111 -5.641 -3.277 5.070 1.00 0.00 C ATOM 1708 CG2 VAL A 111 -8.081 -3.332 5.133 1.00 0.00 C ATOM 0 H VAL A 111 -7.582 -4.666 7.215 1.00 0.00 H new ATOM 0 HA VAL A 111 -5.865 -2.291 7.581 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.875 -1.585 5.364 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -5.688 -3.218 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -4.747 -2.762 5.423 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -5.602 -4.323 5.375 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -8.101 -3.271 4.045 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -8.064 -4.378 5.438 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -8.970 -2.850 5.540 1.00 0.00 H new ATOM 1718 N ILE A 112 -7.610 -0.742 8.322 1.00 0.00 N ATOM 1719 CA ILE A 112 -8.572 0.202 8.916 1.00 0.00 C ATOM 1720 C ILE A 112 -8.296 1.628 8.434 1.00 0.00 C ATOM 1721 O ILE A 112 -7.230 1.896 7.897 1.00 0.00 O ATOM 1722 CB ILE A 112 -8.618 0.164 10.462 1.00 0.00 C ATOM 1723 CG1 ILE A 112 -7.269 0.542 11.077 1.00 0.00 C ATOM 1724 CG2 ILE A 112 -9.039 -1.227 10.925 1.00 0.00 C ATOM 1725 CD1 ILE A 112 -7.320 0.715 12.586 1.00 0.00 C ATOM 0 H ILE A 112 -6.641 -0.431 8.389 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.554 -0.123 8.573 1.00 0.00 H new ATOM 0 HB ILE A 112 -9.348 0.900 10.799 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -6.538 -0.228 10.832 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.919 1.470 10.624 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -9.071 -1.254 12.014 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -10.027 -1.460 10.527 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -8.320 -1.963 10.565 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -6.330 0.982 12.955 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -8.027 1.506 12.838 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -7.640 -0.219 13.049 1.00 0.00 H new ATOM 1737 N TRP A 113 -9.250 2.519 8.631 1.00 0.00 N ATOM 1738 CA TRP A 113 -9.169 3.904 8.159 1.00 0.00 C ATOM 1739 C TRP A 113 -8.541 4.779 9.285 1.00 0.00 C ATOM 1740 O TRP A 113 -8.739 4.516 10.450 1.00 0.00 O ATOM 1741 CB TRP A 113 -10.586 4.378 7.881 1.00 0.00 C ATOM 1742 CG TRP A 113 -11.259 3.626 6.762 1.00 0.00 C ATOM 1743 CD1 TRP A 113 -12.139 2.591 6.906 1.00 0.00 C ATOM 1744 CD2 TRP A 113 -11.137 3.850 5.350 1.00 0.00 C ATOM 1745 NE1 TRP A 113 -12.560 2.172 5.681 1.00 0.00 N ATOM 1746 CE2 TRP A 113 -11.966 2.918 4.714 1.00 0.00 C ATOM 1747 CE3 TRP A 113 -10.405 4.757 4.558 1.00 0.00 C ATOM 1748 CZ2 TRP A 113 -12.092 2.853 3.332 1.00 0.00 C ATOM 1749 CZ3 TRP A 113 -10.530 4.686 3.189 1.00 0.00 C ATOM 1750 CH2 TRP A 113 -11.361 3.745 2.588 1.00 0.00 C ATOM 0 H TRP A 113 -10.115 2.307 9.128 1.00 0.00 H new ATOM 0 HA TRP A 113 -8.559 3.979 7.259 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -11.181 4.274 8.788 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -10.564 5.439 7.634 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -12.453 2.169 7.849 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -13.221 1.413 5.515 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -9.760 5.492 5.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -12.740 2.129 2.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -9.973 5.373 2.570 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -11.432 3.716 1.511 1.00 0.00 H new ATOM 1761 N ASP A 114 -7.761 5.815 8.906 1.00 0.00 N ATOM 1762 CA ASP A 114 -7.026 6.680 9.889 1.00 0.00 C ATOM 1763 C ASP A 114 -7.918 7.765 10.510 1.00 0.00 C ATOM 1764 O ASP A 114 -7.470 8.524 11.377 1.00 0.00 O ATOM 1765 CB ASP A 114 -5.800 7.375 9.249 1.00 0.00 C ATOM 1766 CG ASP A 114 -6.133 8.196 8.010 1.00 0.00 C ATOM 1767 OD1 ASP A 114 -7.332 8.406 7.727 1.00 0.00 O ATOM 1768 OD2 ASP A 114 -5.182 8.652 7.340 1.00 0.00 O ATOM 0 H ASP A 114 -7.617 6.082 7.932 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.698 5.996 10.672 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -5.336 8.026 9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -5.063 6.617 8.983 1.00 0.00 H new ATOM 1773 N GLN A 115 -9.164 7.825 10.079 1.00 0.00 N ATOM 1774 CA GLN A 115 -10.121 8.753 10.635 1.00 0.00 C ATOM 1775 C GLN A 115 -10.309 8.456 12.108 1.00 0.00 C ATOM 1776 O GLN A 115 -10.577 7.318 12.503 1.00 0.00 O ATOM 1777 CB GLN A 115 -11.451 8.529 9.940 1.00 0.00 C ATOM 1778 CG GLN A 115 -12.616 9.414 10.383 1.00 0.00 C ATOM 1779 CD GLN A 115 -12.455 10.846 9.996 1.00 0.00 C ATOM 1780 OE1 GLN A 115 -11.921 11.139 8.944 1.00 0.00 O ATOM 1781 NE2 GLN A 115 -12.981 11.739 10.788 1.00 0.00 N ATOM 0 H GLN A 115 -9.537 7.233 9.337 1.00 0.00 H new ATOM 0 HA GLN A 115 -9.770 9.776 10.500 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -11.304 8.672 8.869 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -11.740 7.488 10.086 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -13.539 9.030 9.949 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -12.721 9.348 11.466 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -13.420 11.450 11.662 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -12.954 12.726 10.533 1.00 0.00 H new ATOM 1790 N GLU A 116 -10.166 9.501 12.914 1.00 0.00 N ATOM 1791 CA GLU A 116 -10.321 9.372 14.357 1.00 0.00 C ATOM 1792 C GLU A 116 -11.761 9.023 14.699 1.00 0.00 C ATOM 1793 O GLU A 116 -12.021 8.219 15.583 1.00 0.00 O ATOM 1794 CB GLU A 116 -9.928 10.665 15.060 1.00 0.00 C ATOM 1795 CG GLU A 116 -8.447 11.003 14.978 1.00 0.00 C ATOM 1796 CD GLU A 116 -8.123 12.320 15.625 1.00 0.00 C ATOM 1797 OE1 GLU A 116 -9.052 12.973 16.149 1.00 0.00 O ATOM 1798 OE2 GLU A 116 -6.935 12.701 15.627 1.00 0.00 O ATOM 0 H GLU A 116 -9.944 10.444 12.594 1.00 0.00 H new ATOM 0 HA GLU A 116 -9.664 8.573 14.700 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.500 11.487 14.628 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.214 10.595 16.109 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -7.870 10.213 15.459 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.141 11.030 13.932 1.00 0.00 H new ATOM 1805 N THR A 117 -12.674 9.667 13.987 1.00 0.00 N ATOM 1806 CA THR A 117 -14.118 9.436 14.080 1.00 0.00 C ATOM 1807 C THR A 117 -14.820 10.638 13.423 1.00 0.00 C ATOM 1808 O THR A 117 -14.354 11.775 13.571 1.00 0.00 O ATOM 1809 CB THR A 117 -14.605 9.270 15.577 1.00 0.00 C ATOM 1810 OG1 THR A 117 -15.621 8.267 15.649 1.00 0.00 O ATOM 1811 CG2 THR A 117 -15.164 10.573 16.176 1.00 0.00 C ATOM 0 H THR A 117 -12.429 10.387 13.307 1.00 0.00 H new ATOM 0 HA THR A 117 -14.366 8.504 13.571 1.00 0.00 H new ATOM 0 HB THR A 117 -13.727 8.984 16.157 1.00 0.00 H new ATOM 0 HG1 THR A 117 -15.917 8.167 16.578 1.00 0.00 H new ATOM 0 HG21 THR A 117 -15.481 10.394 17.203 1.00 0.00 H new ATOM 0 HG22 THR A 117 -14.390 11.341 16.163 1.00 0.00 H new ATOM 0 HG23 THR A 117 -16.017 10.908 15.586 1.00 0.00 H new ATOM 1819 N PRO A 118 -15.869 10.416 12.593 1.00 0.00 N ATOM 1820 CA PRO A 118 -16.560 11.548 11.953 1.00 0.00 C ATOM 1821 C PRO A 118 -17.179 12.476 12.992 1.00 0.00 C ATOM 1822 O PRO A 118 -17.825 12.012 13.944 1.00 0.00 O ATOM 1823 CB PRO A 118 -17.678 10.846 11.145 1.00 0.00 C ATOM 1824 CG PRO A 118 -17.230 9.423 11.002 1.00 0.00 C ATOM 1825 CD PRO A 118 -16.427 9.108 12.224 1.00 0.00 C ATOM 0 HA PRO A 118 -15.894 12.168 11.353 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -18.635 10.907 11.663 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -17.813 11.316 10.171 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -18.086 8.753 10.916 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -16.632 9.293 10.100 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -17.047 8.694 13.019 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -15.644 8.378 12.017 1.00 0.00 H new ATOM 1833 N ILE A 119 -16.989 13.793 12.827 1.00 0.00 N ATOM 1834 CA ILE A 119 -17.647 14.744 13.720 1.00 0.00 C ATOM 1835 C ILE A 119 -18.430 15.740 12.891 1.00 0.00 C ATOM 1836 O ILE A 119 -17.825 16.622 12.317 1.00 0.00 O ATOM 1837 CB ILE A 119 -16.551 15.494 14.484 1.00 0.00 C ATOM 1838 CG1 ILE A 119 -15.468 14.493 14.895 1.00 0.00 C ATOM 1839 CG2 ILE A 119 -17.132 16.189 15.716 1.00 0.00 C ATOM 1840 CD1 ILE A 119 -14.174 15.102 15.316 1.00 0.00 C ATOM 0 H ILE A 119 -16.402 14.210 12.105 1.00 0.00 H new ATOM 0 HA ILE A 119 -18.320 14.229 14.405 1.00 0.00 H new ATOM 0 HB ILE A 119 -16.119 16.262 13.843 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -15.849 13.884 15.715 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -15.280 13.820 14.058 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -16.338 16.716 16.245 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -17.896 16.902 15.405 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -17.577 15.445 16.377 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -13.472 14.314 15.588 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -13.762 15.687 14.493 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -14.340 15.752 16.175 1.00 0.00 H new ATOM 1852 N CYS A 120 -19.716 15.765 12.994 1.00 0.00 N ATOM 1853 CA CYS A 120 -20.449 16.689 12.131 1.00 0.00 C ATOM 1854 C CYS A 120 -20.908 17.885 12.957 1.00 0.00 C ATOM 1855 O CYS A 120 -21.835 17.764 13.779 1.00 0.00 O ATOM 1856 CB CYS A 120 -21.679 15.999 11.453 1.00 0.00 C ATOM 1857 SG CYS A 120 -21.273 14.570 10.334 1.00 0.00 S ATOM 0 H CYS A 120 -20.278 15.196 13.627 1.00 0.00 H new ATOM 0 HA CYS A 120 -19.782 17.018 11.334 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -22.353 15.647 12.234 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -22.222 16.748 10.876 1.00 0.00 H new ATOM 1862 N ASP A 121 -20.266 19.061 12.751 1.00 0.00 N ATOM 1863 CA ASP A 121 -20.625 20.258 13.540 1.00 0.00 C ATOM 1864 C ASP A 121 -22.068 20.693 13.232 1.00 0.00 C ATOM 1865 O ASP A 121 -22.844 20.980 14.142 1.00 0.00 O ATOM 1866 CB ASP A 121 -19.647 21.424 13.287 1.00 0.00 C ATOM 1867 CG ASP A 121 -19.945 22.675 14.105 1.00 0.00 C ATOM 1868 OD1 ASP A 121 -20.604 22.554 15.160 1.00 0.00 O ATOM 1869 OD2 ASP A 121 -19.518 23.776 13.698 1.00 0.00 O ATOM 0 H ASP A 121 -19.522 19.202 12.068 1.00 0.00 H new ATOM 0 HA ASP A 121 -20.553 19.990 14.594 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -18.634 21.089 13.511 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -19.671 21.681 12.228 1.00 0.00 H new ATOM 1874 N ARG A 122 -22.441 20.665 11.921 1.00 0.00 N ATOM 1875 CA ARG A 122 -23.791 21.046 11.526 1.00 0.00 C ATOM 1876 C ARG A 122 -24.227 22.389 12.115 1.00 0.00 C ATOM 1877 O ARG A 122 -23.986 23.434 11.439 1.00 0.00 O ATOM 1878 CB ARG A 122 -24.738 19.925 11.875 1.00 0.00 C ATOM 1879 CG ARG A 122 -24.665 18.704 10.979 1.00 0.00 C ATOM 1880 CD ARG A 122 -25.614 17.611 11.460 1.00 0.00 C ATOM 1881 NE ARG A 122 -25.625 16.459 10.563 1.00 0.00 N ATOM 1882 CZ ARG A 122 -26.687 16.135 9.813 1.00 0.00 C ATOM 1883 NH1 ARG A 122 -27.878 16.537 10.183 1.00 0.00 N ATOM 1884 NH2 ARG A 122 -26.558 15.337 8.768 1.00 0.00 N ATOM 0 H ARG A 122 -21.830 20.388 11.152 1.00 0.00 H new ATOM 0 HA ARG A 122 -23.808 21.200 10.447 1.00 0.00 H new ATOM 0 HB2 ARG A 122 -24.541 19.613 12.901 1.00 0.00 H new ATOM 0 HB3 ARG A 122 -25.757 20.312 11.849 1.00 0.00 H new ATOM 0 HG2 ARG A 122 -24.917 18.984 9.956 1.00 0.00 H new ATOM 0 HG3 ARG A 122 -23.644 18.322 10.962 1.00 0.00 H new ATOM 0 HD2 ARG A 122 -25.319 17.289 12.459 1.00 0.00 H new ATOM 0 HD3 ARG A 122 -26.622 18.017 11.541 1.00 0.00 H new ATOM 0 HE ARG A 122 -24.790 15.877 10.505 1.00 0.00 H new ATOM 0 HH11 ARG A 122 -27.988 17.090 11.033 1.00 0.00 H new ATOM 0 HH12 ARG A 122 -28.695 16.297 9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 122 -25.642 14.960 8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 122 -27.374 15.098 8.205 1.00 0.00 H new