USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 826 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 87 HIS : no HE2:sc= 0.118 K(o=3,f=1.2) USER MOD Set 1.2: A 91 THR OG1 : rot -93:sc= 1.96 USER MOD Set 1.3: A 93 GLN : amide:sc= 0.942 K(o=3,f=1.2) USER MOD Set 2.1: A 52 SER OG : rot -43:sc= 0.684 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 0.614 K(o=1.3,f=-3) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -0.691 K(o=-0.58,f=-1.4) USER MOD Set 3.2: A 109 SER OG : rot 79:sc= 0.115 USER MOD Single : A 10 GLN : amide:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= 1.22 (180deg=1.16) USER MOD Single : A 14 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.16) USER MOD Single : A 16 GLN : amide:sc= 1.11 K(o=1.1,f=-0.51) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.142 X(o=-0.14,f=-0.1) USER MOD Single : A 35 SER OG : rot 150:sc= 0.39 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0126 USER MOD Single : A 44 GLN : amide:sc= -0.0822 K(o=-0.082,f=-2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.883 K(o=-0.88,f=-3.8!) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.235 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0.23 X(o=0.23,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -6:sc= 0.991 USER MOD Single : A 90 SER OG : rot 75:sc= 0.172 USER MOD Single : A 92 GLN : amide:sc= 1.62 K(o=1.6,f=-0.73) USER MOD Single : A 96 THR OG1 : rot 41:sc= 0.028 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -178:sc=-0.000339 (180deg=-0.0143) USER MOD Single : A 99 SER OG : rot -29:sc= 0.528 USER MOD Single : A 104 HIS : no HD1:sc= -1.37 K(o=-1.4,f=-0.68) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 10.646 7.242 6.416 1.00 0.00 N ATOM 67 CA GLU A 8 10.041 6.364 5.428 1.00 0.00 C ATOM 68 C GLU A 8 9.132 7.189 4.523 1.00 0.00 C ATOM 69 O GLU A 8 9.285 7.119 3.313 1.00 0.00 O ATOM 70 CB GLU A 8 9.263 5.201 6.077 1.00 0.00 C ATOM 71 CG GLU A 8 9.806 4.726 7.438 1.00 0.00 C ATOM 72 CD GLU A 8 8.859 3.777 8.171 1.00 0.00 C ATOM 73 OE1 GLU A 8 8.030 3.109 7.504 1.00 0.00 O ATOM 74 OE2 GLU A 8 8.937 3.742 9.424 1.00 0.00 O ATOM 0 HA GLU A 8 10.837 5.909 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.225 5.507 6.205 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.264 4.356 5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.763 4.226 7.285 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.997 5.595 8.068 1.00 0.00 H new ATOM 81 N VAL A 9 8.262 8.037 5.080 1.00 0.00 N ATOM 82 CA VAL A 9 7.344 8.872 4.332 1.00 0.00 C ATOM 83 C VAL A 9 8.029 9.653 3.212 1.00 0.00 C ATOM 84 O VAL A 9 7.592 9.637 2.066 1.00 0.00 O ATOM 85 CB VAL A 9 6.634 9.849 5.293 1.00 0.00 C ATOM 86 CG1 VAL A 9 5.347 9.239 5.818 1.00 0.00 C ATOM 87 CG2 VAL A 9 7.474 10.374 6.478 1.00 0.00 C ATOM 0 H VAL A 9 8.182 8.158 6.090 1.00 0.00 H new ATOM 0 HA VAL A 9 6.619 8.210 3.859 1.00 0.00 H new ATOM 0 HB VAL A 9 6.437 10.725 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.860 9.942 6.494 1.00 0.00 H new ATOM 0 HG12 VAL A 9 4.682 9.019 4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.573 8.318 6.355 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.869 11.051 7.081 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.801 9.535 7.092 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.345 10.908 6.098 1.00 0.00 H new ATOM 97 N GLN A 10 9.103 10.355 3.566 1.00 0.00 N ATOM 98 CA GLN A 10 9.862 11.177 2.647 1.00 0.00 C ATOM 99 C GLN A 10 10.621 10.401 1.574 1.00 0.00 C ATOM 100 O GLN A 10 11.001 11.006 0.564 1.00 0.00 O ATOM 101 CB GLN A 10 10.755 12.141 3.414 1.00 0.00 C ATOM 102 CG GLN A 10 11.630 11.547 4.518 1.00 0.00 C ATOM 103 CD GLN A 10 12.141 12.696 5.358 1.00 0.00 C ATOM 104 OE1 GLN A 10 13.271 13.145 5.196 1.00 0.00 O ATOM 105 NE2 GLN A 10 11.287 13.272 6.184 1.00 0.00 N ATOM 0 H GLN A 10 9.471 10.364 4.517 1.00 0.00 H new ATOM 0 HA GLN A 10 9.132 11.754 2.079 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.407 12.642 2.698 1.00 0.00 H new ATOM 0 HB3 GLN A 10 10.122 12.908 3.860 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.056 10.850 5.129 1.00 0.00 H new ATOM 0 HG3 GLN A 10 12.460 10.986 4.089 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.352 12.882 6.304 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.562 14.107 6.702 1.00 0.00 H new ATOM 114 N LYS A 11 10.909 9.117 1.798 1.00 0.00 N ATOM 115 CA LYS A 11 11.615 8.295 0.819 1.00 0.00 C ATOM 116 C LYS A 11 10.653 8.023 -0.337 1.00 0.00 C ATOM 117 O LYS A 11 9.460 7.812 -0.111 1.00 0.00 O ATOM 118 CB LYS A 11 12.080 6.963 1.431 1.00 0.00 C ATOM 119 CG LYS A 11 13.185 7.148 2.482 1.00 0.00 C ATOM 120 CD LYS A 11 14.577 6.766 1.969 1.00 0.00 C ATOM 121 CE LYS A 11 14.831 5.264 2.130 1.00 0.00 C ATOM 122 NZ LYS A 11 16.226 4.892 1.812 1.00 0.00 N ATOM 0 H LYS A 11 10.661 8.624 2.656 1.00 0.00 H new ATOM 0 HA LYS A 11 12.505 8.823 0.477 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.228 6.461 1.890 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.444 6.311 0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 11 13.198 8.188 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.949 6.543 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.670 7.043 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 11 15.336 7.327 2.515 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.603 4.967 3.154 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.153 4.712 1.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.547 4.154 2.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.276 4.533 0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 16.838 5.728 1.904 1.00 0.00 H new ATOM 136 N PRO A 12 11.127 8.025 -1.589 1.00 0.00 N ATOM 137 CA PRO A 12 10.257 7.762 -2.716 1.00 0.00 C ATOM 138 C PRO A 12 9.807 6.306 -2.659 1.00 0.00 C ATOM 139 O PRO A 12 10.462 5.448 -2.063 1.00 0.00 O ATOM 140 CB PRO A 12 11.089 8.064 -3.957 1.00 0.00 C ATOM 141 CG PRO A 12 12.498 7.739 -3.482 1.00 0.00 C ATOM 142 CD PRO A 12 12.490 8.241 -2.036 1.00 0.00 C ATOM 0 HA PRO A 12 9.354 8.372 -2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.793 7.448 -4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.994 9.104 -4.269 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.708 6.671 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.254 8.245 -4.082 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.202 7.692 -1.420 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.765 9.294 -1.979 1.00 0.00 H new ATOM 150 N LEU A 13 8.701 6.020 -3.340 1.00 0.00 N ATOM 151 CA LEU A 13 8.121 4.687 -3.390 1.00 0.00 C ATOM 152 C LEU A 13 9.129 3.626 -3.847 1.00 0.00 C ATOM 153 O LEU A 13 9.108 2.523 -3.310 1.00 0.00 O ATOM 154 CB LEU A 13 6.852 4.748 -4.253 1.00 0.00 C ATOM 155 CG LEU A 13 6.295 3.379 -4.691 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.793 3.514 -4.931 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.952 2.908 -5.999 1.00 0.00 C ATOM 0 H LEU A 13 8.180 6.714 -3.876 1.00 0.00 H new ATOM 0 HA LEU A 13 7.842 4.366 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.078 5.277 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.065 5.339 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 13 6.506 2.652 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.386 2.552 -5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.305 3.834 -4.011 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.614 4.253 -5.712 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.541 1.940 -6.285 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.754 3.634 -6.788 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.028 2.816 -5.853 1.00 0.00 H new ATOM 169 N HIS A 14 10.034 3.943 -4.783 1.00 0.00 N ATOM 170 CA HIS A 14 11.020 2.976 -5.274 1.00 0.00 C ATOM 171 C HIS A 14 12.050 2.541 -4.217 1.00 0.00 C ATOM 172 O HIS A 14 12.855 1.657 -4.505 1.00 0.00 O ATOM 173 CB HIS A 14 11.682 3.473 -6.568 1.00 0.00 C ATOM 174 CG HIS A 14 12.505 4.728 -6.430 1.00 0.00 C ATOM 175 ND1 HIS A 14 12.087 6.002 -6.742 1.00 0.00 N ATOM 176 CD2 HIS A 14 13.821 4.802 -6.052 1.00 0.00 C ATOM 177 CE1 HIS A 14 13.128 6.824 -6.545 1.00 0.00 C ATOM 178 NE2 HIS A 14 14.203 6.149 -6.107 1.00 0.00 N ATOM 0 H HIS A 14 10.102 4.865 -5.215 1.00 0.00 H new ATOM 0 HA HIS A 14 10.465 2.067 -5.507 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.321 2.680 -6.957 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.904 3.649 -7.311 1.00 0.00 H new ATOM 0 HD2 HIS A 14 14.449 3.972 -5.764 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.105 7.890 -6.716 1.00 0.00 H new ATOM 0 HE2 HIS A 14 15.114 6.538 -5.863 1.00 0.00 H new ATOM 186 N GLU A 15 12.067 3.140 -3.023 1.00 0.00 N ATOM 187 CA GLU A 15 12.984 2.792 -1.937 1.00 0.00 C ATOM 188 C GLU A 15 12.224 2.076 -0.805 1.00 0.00 C ATOM 189 O GLU A 15 12.851 1.619 0.155 1.00 0.00 O ATOM 190 CB GLU A 15 13.600 4.070 -1.340 1.00 0.00 C ATOM 191 CG GLU A 15 14.475 4.909 -2.286 1.00 0.00 C ATOM 192 CD GLU A 15 15.980 4.778 -2.083 1.00 0.00 C ATOM 193 OE1 GLU A 15 16.449 4.788 -0.918 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.719 4.800 -3.092 1.00 0.00 O ATOM 0 H GLU A 15 11.428 3.898 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 15 13.758 2.143 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.791 4.701 -0.973 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.202 3.789 -0.476 1.00 0.00 H new ATOM 0 HG2 GLU A 15 14.240 4.629 -3.313 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.201 5.958 -2.170 1.00 0.00 H new ATOM 201 N GLN A 16 10.891 2.003 -0.871 1.00 0.00 N ATOM 202 CA GLN A 16 10.057 1.394 0.156 1.00 0.00 C ATOM 203 C GLN A 16 10.174 -0.120 0.217 1.00 0.00 C ATOM 204 O GLN A 16 10.336 -0.811 -0.792 1.00 0.00 O ATOM 205 CB GLN A 16 8.584 1.774 -0.062 1.00 0.00 C ATOM 206 CG GLN A 16 8.357 3.285 0.029 1.00 0.00 C ATOM 207 CD GLN A 16 8.544 3.872 1.424 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.576 3.182 2.442 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.667 5.183 1.462 1.00 0.00 N ATOM 0 H GLN A 16 10.357 2.374 -1.657 1.00 0.00 H new ATOM 0 HA GLN A 16 10.421 1.784 1.107 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.260 1.418 -1.040 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.967 1.270 0.682 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.043 3.784 -0.656 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.346 3.509 -0.313 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.636 5.723 0.598 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.794 5.658 2.356 1.00 0.00 H new ATOM 218 N LEU A 17 10.018 -0.626 1.438 1.00 0.00 N ATOM 219 CA LEU A 17 10.061 -2.039 1.762 1.00 0.00 C ATOM 220 C LEU A 17 8.891 -2.781 1.107 1.00 0.00 C ATOM 221 O LEU A 17 9.106 -3.817 0.480 1.00 0.00 O ATOM 222 CB LEU A 17 10.124 -2.235 3.293 1.00 0.00 C ATOM 223 CG LEU A 17 8.885 -1.916 4.156 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.218 -2.202 5.621 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.444 -0.447 4.083 1.00 0.00 C ATOM 0 H LEU A 17 9.853 -0.037 2.254 1.00 0.00 H new ATOM 0 HA LEU A 17 10.970 -2.478 1.351 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.390 -3.276 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 17 10.947 -1.625 3.666 1.00 0.00 H new ATOM 0 HG LEU A 17 8.077 -2.536 3.769 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.350 -1.980 6.241 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.487 -3.252 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.055 -1.578 5.932 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.568 -0.298 4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.255 0.194 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.196 -0.192 3.053 1.00 0.00 H new ATOM 237 N TRP A 18 7.684 -2.215 1.191 1.00 0.00 N ATOM 238 CA TRP A 18 6.430 -2.752 0.669 1.00 0.00 C ATOM 239 C TRP A 18 6.193 -2.586 -0.830 1.00 0.00 C ATOM 240 O TRP A 18 5.098 -2.902 -1.310 1.00 0.00 O ATOM 241 CB TRP A 18 5.284 -2.147 1.498 1.00 0.00 C ATOM 242 CG TRP A 18 5.282 -0.651 1.707 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.414 -0.042 2.910 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.118 0.437 0.739 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.436 1.328 2.743 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.169 1.676 1.442 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.924 0.528 -0.658 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.999 2.910 0.806 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.771 1.768 -1.313 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.783 2.963 -0.576 1.00 0.00 C ATOM 0 H TRP A 18 7.551 -1.316 1.654 1.00 0.00 H new ATOM 0 HA TRP A 18 6.482 -3.836 0.776 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.344 -2.420 1.019 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.292 -2.623 2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.491 -0.553 3.859 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.626 1.996 3.490 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.892 -0.380 -1.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.034 3.823 1.382 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.644 1.798 -2.385 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.628 3.911 -1.069 1.00 0.00 H new ATOM 261 N TYR A 19 7.144 -2.032 -1.584 1.00 0.00 N ATOM 262 CA TYR A 19 6.979 -1.858 -3.017 1.00 0.00 C ATOM 263 C TYR A 19 7.610 -3.057 -3.720 1.00 0.00 C ATOM 264 O TYR A 19 8.824 -3.111 -3.896 1.00 0.00 O ATOM 265 CB TYR A 19 7.556 -0.521 -3.477 1.00 0.00 C ATOM 266 CG TYR A 19 7.511 -0.390 -4.984 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.280 -0.437 -5.669 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.713 -0.304 -5.704 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.245 -0.386 -7.073 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.688 -0.242 -7.104 1.00 0.00 C ATOM 271 CZ TYR A 19 7.460 -0.286 -7.798 1.00 0.00 C ATOM 272 OH TYR A 19 7.463 -0.256 -9.160 1.00 0.00 O ATOM 0 H TYR A 19 8.036 -1.697 -1.220 1.00 0.00 H new ATOM 0 HA TYR A 19 5.922 -1.823 -3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.995 0.295 -3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.586 -0.430 -3.133 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.358 -0.513 -5.112 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.657 -0.286 -5.179 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.301 -0.423 -7.596 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.613 -0.160 -7.655 1.00 0.00 H new ATOM 0 HH TYR A 19 8.385 -0.184 -9.484 1.00 0.00 H new ATOM 282 N HIS A 20 6.784 -4.033 -4.109 1.00 0.00 N ATOM 283 CA HIS A 20 7.268 -5.239 -4.786 1.00 0.00 C ATOM 284 C HIS A 20 7.329 -5.063 -6.308 1.00 0.00 C ATOM 285 O HIS A 20 8.032 -5.819 -6.977 1.00 0.00 O ATOM 286 CB HIS A 20 6.392 -6.442 -4.420 1.00 0.00 C ATOM 287 CG HIS A 20 6.423 -6.784 -2.952 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.056 -7.857 -2.363 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.824 -6.071 -1.953 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.833 -7.784 -1.041 1.00 0.00 C ATOM 291 NE2 HIS A 20 6.082 -6.711 -0.745 1.00 0.00 N ATOM 0 H HIS A 20 5.774 -4.011 -3.966 1.00 0.00 H new ATOM 0 HA HIS A 20 8.286 -5.420 -4.441 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.363 -6.235 -4.715 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.720 -7.309 -4.994 1.00 0.00 H new ATOM 0 HD1 HIS A 20 7.596 -8.576 -2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 20 5.249 -5.166 -2.079 1.00 0.00 H new ATOM 0 HE1 HIS A 20 7.206 -8.491 -0.315 1.00 0.00 H new ATOM 299 N GLY A 21 6.599 -4.097 -6.877 1.00 0.00 N ATOM 300 CA GLY A 21 6.608 -3.853 -8.315 1.00 0.00 C ATOM 301 C GLY A 21 5.549 -4.631 -9.094 1.00 0.00 C ATOM 302 O GLY A 21 4.497 -5.018 -8.574 1.00 0.00 O ATOM 0 H GLY A 21 5.990 -3.468 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.461 -2.787 -8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.592 -4.109 -8.708 1.00 0.00 H new ATOM 306 N ALA A 22 5.801 -4.811 -10.389 1.00 0.00 N ATOM 307 CA ALA A 22 4.973 -5.498 -11.380 1.00 0.00 C ATOM 308 C ALA A 22 4.818 -7.024 -11.175 1.00 0.00 C ATOM 309 O ALA A 22 4.586 -7.748 -12.143 1.00 0.00 O ATOM 310 CB ALA A 22 5.541 -5.182 -12.769 1.00 0.00 C ATOM 0 H ALA A 22 6.659 -4.451 -10.807 1.00 0.00 H new ATOM 0 HA ALA A 22 3.957 -5.121 -11.264 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.942 -5.682 -13.530 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.515 -4.105 -12.937 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.571 -5.533 -12.829 1.00 0.00 H new ATOM 316 N ILE A 23 4.931 -7.542 -9.948 1.00 0.00 N ATOM 317 CA ILE A 23 4.796 -8.970 -9.624 1.00 0.00 C ATOM 318 C ILE A 23 3.437 -9.535 -10.064 1.00 0.00 C ATOM 319 O ILE A 23 2.465 -8.777 -10.094 1.00 0.00 O ATOM 320 CB ILE A 23 4.979 -9.172 -8.101 1.00 0.00 C ATOM 321 CG1 ILE A 23 3.864 -8.526 -7.240 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.344 -8.611 -7.688 1.00 0.00 C ATOM 323 CD1 ILE A 23 3.915 -8.977 -5.781 1.00 0.00 C ATOM 0 H ILE A 23 5.124 -6.966 -9.129 1.00 0.00 H new ATOM 0 HA ILE A 23 5.568 -9.511 -10.171 1.00 0.00 H new ATOM 0 HB ILE A 23 4.917 -10.244 -7.914 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.958 -7.441 -7.285 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.891 -8.780 -7.661 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.484 -8.748 -6.616 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.132 -9.137 -8.227 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.388 -7.548 -7.927 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.113 -8.495 -5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.793 -10.059 -5.730 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.876 -8.699 -5.348 1.00 0.00 H new ATOM 335 N PRO A 24 3.281 -10.829 -10.370 1.00 0.00 N ATOM 336 CA PRO A 24 1.980 -11.352 -10.759 1.00 0.00 C ATOM 337 C PRO A 24 1.089 -11.505 -9.519 1.00 0.00 C ATOM 338 O PRO A 24 1.573 -11.519 -8.383 1.00 0.00 O ATOM 339 CB PRO A 24 2.283 -12.713 -11.380 1.00 0.00 C ATOM 340 CG PRO A 24 3.540 -13.175 -10.641 1.00 0.00 C ATOM 341 CD PRO A 24 4.296 -11.871 -10.396 1.00 0.00 C ATOM 0 HA PRO A 24 1.450 -10.698 -11.451 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.457 -13.410 -11.240 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.455 -12.634 -12.453 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.296 -13.681 -9.707 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.125 -13.874 -11.239 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.845 -11.907 -9.455 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.026 -11.687 -11.184 1.00 0.00 H new ATOM 349 N ARG A 25 -0.232 -11.633 -9.699 1.00 0.00 N ATOM 350 CA ARG A 25 -1.139 -11.825 -8.556 1.00 0.00 C ATOM 351 C ARG A 25 -0.848 -13.175 -7.893 1.00 0.00 C ATOM 352 O ARG A 25 -1.207 -13.367 -6.732 1.00 0.00 O ATOM 353 CB ARG A 25 -2.613 -11.742 -8.983 1.00 0.00 C ATOM 354 CG ARG A 25 -3.098 -10.298 -9.184 1.00 0.00 C ATOM 355 CD ARG A 25 -4.509 -10.255 -9.792 1.00 0.00 C ATOM 356 NE ARG A 25 -4.483 -10.423 -11.258 1.00 0.00 N ATOM 357 CZ ARG A 25 -4.464 -9.460 -12.193 1.00 0.00 C ATOM 358 NH1 ARG A 25 -4.514 -8.169 -11.870 1.00 0.00 N ATOM 359 NH2 ARG A 25 -4.389 -9.816 -13.472 1.00 0.00 N ATOM 0 H ARG A 25 -0.692 -11.608 -10.609 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.963 -11.022 -7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.749 -12.298 -9.911 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.232 -12.226 -8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.098 -9.777 -8.227 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.404 -9.768 -9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -5.120 -11.041 -9.348 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.982 -9.305 -9.544 1.00 0.00 H new ATOM 0 HE ARG A 25 -4.479 -11.384 -11.601 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.568 -7.890 -10.890 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.498 -7.459 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.347 -10.803 -13.725 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.373 -9.102 -14.200 1.00 0.00 H new ATOM 373 N ALA A 26 -0.167 -14.069 -8.611 1.00 0.00 N ATOM 374 CA ALA A 26 0.220 -15.379 -8.153 1.00 0.00 C ATOM 375 C ALA A 26 1.039 -15.271 -6.868 1.00 0.00 C ATOM 376 O ALA A 26 0.773 -16.020 -5.930 1.00 0.00 O ATOM 377 CB ALA A 26 1.034 -16.054 -9.261 1.00 0.00 C ATOM 0 H ALA A 26 0.137 -13.880 -9.566 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.665 -15.976 -7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.338 -17.049 -8.935 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.425 -16.138 -10.161 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.920 -15.457 -9.477 1.00 0.00 H new ATOM 383 N GLU A 27 1.986 -14.329 -6.828 1.00 0.00 N ATOM 384 CA GLU A 27 2.861 -14.126 -5.681 1.00 0.00 C ATOM 385 C GLU A 27 2.226 -13.236 -4.614 1.00 0.00 C ATOM 386 O GLU A 27 2.495 -13.439 -3.438 1.00 0.00 O ATOM 387 CB GLU A 27 4.172 -13.468 -6.137 1.00 0.00 C ATOM 388 CG GLU A 27 5.038 -14.356 -7.044 1.00 0.00 C ATOM 389 CD GLU A 27 6.318 -13.658 -7.525 1.00 0.00 C ATOM 390 OE1 GLU A 27 6.419 -12.412 -7.435 1.00 0.00 O ATOM 391 OE2 GLU A 27 7.200 -14.338 -8.102 1.00 0.00 O ATOM 0 H GLU A 27 2.164 -13.684 -7.598 1.00 0.00 H new ATOM 0 HA GLU A 27 3.045 -15.109 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.937 -12.545 -6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.752 -13.191 -5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.307 -15.264 -6.504 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.451 -14.663 -7.910 1.00 0.00 H new ATOM 398 N VAL A 28 1.374 -12.269 -4.986 1.00 0.00 N ATOM 399 CA VAL A 28 0.726 -11.354 -4.035 1.00 0.00 C ATOM 400 C VAL A 28 0.131 -12.114 -2.846 1.00 0.00 C ATOM 401 O VAL A 28 0.471 -11.784 -1.713 1.00 0.00 O ATOM 402 CB VAL A 28 -0.324 -10.484 -4.751 1.00 0.00 C ATOM 403 CG1 VAL A 28 -1.262 -9.761 -3.777 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.342 -9.448 -5.666 1.00 0.00 C ATOM 0 H VAL A 28 1.114 -12.099 -5.958 1.00 0.00 H new ATOM 0 HA VAL A 28 1.486 -10.686 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.921 -11.173 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.980 -9.164 -4.339 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.795 -10.495 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.679 -9.110 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.425 -8.850 -6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.985 -8.798 -5.072 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.941 -9.960 -6.420 1.00 0.00 H new ATOM 414 N ALA A 29 -0.720 -13.120 -3.087 1.00 0.00 N ATOM 415 CA ALA A 29 -1.351 -13.888 -2.013 1.00 0.00 C ATOM 416 C ALA A 29 -0.363 -14.637 -1.103 1.00 0.00 C ATOM 417 O ALA A 29 -0.786 -15.168 -0.076 1.00 0.00 O ATOM 418 CB ALA A 29 -2.313 -14.915 -2.599 1.00 0.00 C ATOM 0 H ALA A 29 -0.987 -13.420 -4.025 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.866 -13.148 -1.400 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.777 -15.481 -1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.085 -14.404 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.766 -15.596 -3.251 1.00 0.00 H new ATOM 424 N GLU A 30 0.905 -14.765 -1.501 1.00 0.00 N ATOM 425 CA GLU A 30 1.954 -15.443 -0.748 1.00 0.00 C ATOM 426 C GLU A 30 2.736 -14.446 0.119 1.00 0.00 C ATOM 427 O GLU A 30 3.494 -14.856 0.998 1.00 0.00 O ATOM 428 CB GLU A 30 2.902 -16.204 -1.699 1.00 0.00 C ATOM 429 CG GLU A 30 2.157 -17.120 -2.683 1.00 0.00 C ATOM 430 CD GLU A 30 3.115 -17.988 -3.503 1.00 0.00 C ATOM 431 OE1 GLU A 30 3.684 -17.507 -4.509 1.00 0.00 O ATOM 432 OE2 GLU A 30 3.258 -19.191 -3.171 1.00 0.00 O ATOM 0 H GLU A 30 1.237 -14.385 -2.387 1.00 0.00 H new ATOM 0 HA GLU A 30 1.482 -16.168 -0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.498 -15.485 -2.261 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.596 -16.802 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.470 -17.762 -2.131 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.553 -16.512 -3.357 1.00 0.00 H new ATOM 439 N LEU A 31 2.588 -13.140 -0.126 1.00 0.00 N ATOM 440 CA LEU A 31 3.258 -12.081 0.620 1.00 0.00 C ATOM 441 C LEU A 31 2.459 -11.774 1.882 1.00 0.00 C ATOM 442 O LEU A 31 3.032 -11.635 2.962 1.00 0.00 O ATOM 443 CB LEU A 31 3.380 -10.809 -0.233 1.00 0.00 C ATOM 444 CG LEU A 31 4.168 -10.984 -1.540 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.028 -9.724 -2.393 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.641 -11.303 -1.277 1.00 0.00 C ATOM 0 H LEU A 31 1.983 -12.786 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 31 4.260 -12.417 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.379 -10.452 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.860 -10.033 0.363 1.00 0.00 H new ATOM 0 HG LEU A 31 3.751 -11.834 -2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.587 -9.848 -3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.976 -9.556 -2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.421 -8.868 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.163 -11.419 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.094 -10.489 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.717 -12.228 -0.706 1.00 0.00 H new ATOM 458 N LEU A 32 1.144 -11.596 1.743 1.00 0.00 N ATOM 459 CA LEU A 32 0.261 -11.313 2.871 1.00 0.00 C ATOM 460 C LEU A 32 0.027 -12.636 3.591 1.00 0.00 C ATOM 461 O LEU A 32 -0.125 -13.672 2.941 1.00 0.00 O ATOM 462 CB LEU A 32 -1.071 -10.694 2.414 1.00 0.00 C ATOM 463 CG LEU A 32 -0.987 -9.735 1.199 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.666 -10.400 0.000 1.00 0.00 C ATOM 465 CD2 LEU A 32 -1.668 -8.406 1.434 1.00 0.00 C ATOM 0 H LEU A 32 0.663 -11.644 0.845 1.00 0.00 H new ATOM 0 HA LEU A 32 0.722 -10.581 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.760 -11.502 2.168 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.504 -10.150 3.253 1.00 0.00 H new ATOM 0 HG LEU A 32 0.071 -9.541 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.614 -9.735 -0.862 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.159 -11.336 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.710 -10.603 0.239 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.571 -7.785 0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.724 -8.571 1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.201 -7.903 2.280 1.00 0.00 H new ATOM 477 N VAL A 33 -0.047 -12.595 4.917 1.00 0.00 N ATOM 478 CA VAL A 33 -0.261 -13.778 5.745 1.00 0.00 C ATOM 479 C VAL A 33 -1.541 -13.615 6.561 1.00 0.00 C ATOM 480 O VAL A 33 -2.280 -14.591 6.730 1.00 0.00 O ATOM 481 CB VAL A 33 0.959 -14.029 6.666 1.00 0.00 C ATOM 482 CG1 VAL A 33 0.920 -15.448 7.253 1.00 0.00 C ATOM 483 CG2 VAL A 33 2.319 -13.868 5.970 1.00 0.00 C ATOM 0 H VAL A 33 0.041 -11.732 5.453 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.371 -14.648 5.098 1.00 0.00 H new ATOM 0 HB VAL A 33 0.875 -13.266 7.439 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.787 -15.600 7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.008 -15.575 7.837 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.937 -16.177 6.443 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.119 -14.061 6.685 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.391 -14.576 5.145 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.413 -12.852 5.586 1.00 0.00 H new ATOM 493 N HIS A 34 -1.842 -12.401 7.037 1.00 0.00 N ATOM 494 CA HIS A 34 -3.032 -12.166 7.855 1.00 0.00 C ATOM 495 C HIS A 34 -3.787 -10.908 7.440 1.00 0.00 C ATOM 496 O HIS A 34 -3.268 -10.054 6.720 1.00 0.00 O ATOM 497 CB HIS A 34 -2.619 -12.114 9.332 1.00 0.00 C ATOM 498 CG HIS A 34 -1.870 -13.342 9.801 1.00 0.00 C ATOM 499 ND1 HIS A 34 -2.378 -14.618 9.866 1.00 0.00 N ATOM 500 CD2 HIS A 34 -0.559 -13.404 10.196 1.00 0.00 C ATOM 501 CE1 HIS A 34 -1.393 -15.438 10.249 1.00 0.00 C ATOM 502 NE2 HIS A 34 -0.278 -14.739 10.520 1.00 0.00 N ATOM 0 H HIS A 34 -1.277 -11.569 6.869 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.726 -12.992 7.700 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.995 -11.235 9.494 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.512 -11.988 9.945 1.00 0.00 H new ATOM 0 HD2 HIS A 34 0.132 -12.575 10.248 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -1.482 -16.511 10.329 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.599 -15.107 10.888 1.00 0.00 H new ATOM 510 N SER A 35 -5.032 -10.781 7.900 1.00 0.00 N ATOM 511 CA SER A 35 -5.865 -9.632 7.587 1.00 0.00 C ATOM 512 C SER A 35 -5.184 -8.353 8.075 1.00 0.00 C ATOM 513 O SER A 35 -4.662 -8.318 9.193 1.00 0.00 O ATOM 514 CB SER A 35 -7.255 -9.795 8.203 1.00 0.00 C ATOM 515 OG SER A 35 -7.944 -10.846 7.549 1.00 0.00 O ATOM 0 H SER A 35 -5.485 -11.472 8.498 1.00 0.00 H new ATOM 0 HA SER A 35 -5.991 -9.562 6.507 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.169 -10.010 9.268 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.816 -8.865 8.110 1.00 0.00 H new ATOM 0 HG SER A 35 -8.565 -11.271 8.177 1.00 0.00 H new ATOM 521 N GLY A 36 -5.188 -7.299 7.257 1.00 0.00 N ATOM 522 CA GLY A 36 -4.581 -6.022 7.575 1.00 0.00 C ATOM 523 C GLY A 36 -3.230 -5.843 6.901 1.00 0.00 C ATOM 524 O GLY A 36 -2.766 -4.703 6.805 1.00 0.00 O ATOM 0 H GLY A 36 -5.626 -7.318 6.336 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -5.248 -5.218 7.266 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.460 -5.938 8.655 1.00 0.00 H new ATOM 528 N ASP A 37 -2.615 -6.936 6.449 1.00 0.00 N ATOM 529 CA ASP A 37 -1.329 -6.936 5.764 1.00 0.00 C ATOM 530 C ASP A 37 -1.538 -6.277 4.405 1.00 0.00 C ATOM 531 O ASP A 37 -2.570 -6.542 3.784 1.00 0.00 O ATOM 532 CB ASP A 37 -0.843 -8.373 5.507 1.00 0.00 C ATOM 533 CG ASP A 37 -0.338 -9.140 6.725 1.00 0.00 C ATOM 534 OD1 ASP A 37 -0.543 -8.675 7.877 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.251 -10.225 6.519 1.00 0.00 O ATOM 0 H ASP A 37 -3.011 -7.870 6.554 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.595 -6.413 6.377 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.662 -8.938 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.042 -8.337 4.768 1.00 0.00 H new ATOM 540 N PHE A 38 -0.588 -5.478 3.905 1.00 0.00 N ATOM 541 CA PHE A 38 -0.689 -4.825 2.598 1.00 0.00 C ATOM 542 C PHE A 38 0.650 -4.665 1.875 1.00 0.00 C ATOM 543 O PHE A 38 1.712 -4.768 2.482 1.00 0.00 O ATOM 544 CB PHE A 38 -1.322 -3.433 2.751 1.00 0.00 C ATOM 545 CG PHE A 38 -0.415 -2.377 3.356 1.00 0.00 C ATOM 546 CD1 PHE A 38 -0.342 -2.225 4.752 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.377 -1.557 2.527 1.00 0.00 C ATOM 548 CE1 PHE A 38 0.504 -1.249 5.305 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.202 -0.569 3.085 1.00 0.00 C ATOM 550 CZ PHE A 38 1.259 -0.406 4.474 1.00 0.00 C ATOM 0 H PHE A 38 0.278 -5.266 4.401 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.310 -5.484 1.992 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.649 -3.090 1.770 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.214 -3.523 3.371 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.935 -2.857 5.397 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.349 -1.690 1.456 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.574 -1.146 6.378 1.00 0.00 H new ATOM 0 HE2 PHE A 38 1.794 0.066 2.442 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.881 0.365 4.905 1.00 0.00 H new ATOM 560 N LEU A 39 0.598 -4.373 0.570 1.00 0.00 N ATOM 561 CA LEU A 39 1.752 -4.151 -0.302 1.00 0.00 C ATOM 562 C LEU A 39 1.327 -3.309 -1.509 1.00 0.00 C ATOM 563 O LEU A 39 0.132 -3.241 -1.817 1.00 0.00 O ATOM 564 CB LEU A 39 2.434 -5.492 -0.655 1.00 0.00 C ATOM 565 CG LEU A 39 1.956 -6.441 -1.767 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.477 -6.764 -1.633 1.00 0.00 C ATOM 567 CD2 LEU A 39 2.235 -5.941 -3.190 1.00 0.00 C ATOM 0 H LEU A 39 -0.289 -4.282 0.074 1.00 0.00 H new ATOM 0 HA LEU A 39 2.519 -3.574 0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.472 -5.252 -0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.440 -6.080 0.263 1.00 0.00 H new ATOM 0 HG LEU A 39 2.550 -7.344 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.177 -7.437 -2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.295 -7.244 -0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.104 -5.844 -1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.866 -6.670 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.729 -4.988 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.308 -5.809 -3.325 1.00 0.00 H new ATOM 579 N VAL A 40 2.275 -2.649 -2.181 1.00 0.00 N ATOM 580 CA VAL A 40 2.003 -1.815 -3.357 1.00 0.00 C ATOM 581 C VAL A 40 2.616 -2.506 -4.562 1.00 0.00 C ATOM 582 O VAL A 40 3.784 -2.914 -4.532 1.00 0.00 O ATOM 583 CB VAL A 40 2.507 -0.371 -3.180 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.322 0.467 -4.458 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.746 0.318 -2.036 1.00 0.00 C ATOM 0 H VAL A 40 3.261 -2.678 -1.922 1.00 0.00 H new ATOM 0 HA VAL A 40 0.927 -1.714 -3.501 1.00 0.00 H new ATOM 0 HB VAL A 40 3.571 -0.433 -2.953 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.691 1.478 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.879 0.011 -5.276 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.264 0.506 -4.717 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.110 1.339 -1.919 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.681 0.337 -2.267 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.906 -0.233 -1.109 1.00 0.00 H new ATOM 595 N ARG A 41 1.852 -2.574 -5.655 1.00 0.00 N ATOM 596 CA ARG A 41 2.289 -3.237 -6.870 1.00 0.00 C ATOM 597 C ARG A 41 1.838 -2.504 -8.145 1.00 0.00 C ATOM 598 O ARG A 41 0.763 -1.899 -8.149 1.00 0.00 O ATOM 599 CB ARG A 41 1.722 -4.659 -6.751 1.00 0.00 C ATOM 600 CG ARG A 41 0.198 -4.746 -6.512 1.00 0.00 C ATOM 601 CD ARG A 41 -0.360 -6.138 -6.844 1.00 0.00 C ATOM 602 NE ARG A 41 -1.583 -6.066 -7.669 1.00 0.00 N ATOM 603 CZ ARG A 41 -1.649 -5.592 -8.923 1.00 0.00 C ATOM 604 NH1 ARG A 41 -0.551 -5.247 -9.583 1.00 0.00 N ATOM 605 NH2 ARG A 41 -2.831 -5.439 -9.505 1.00 0.00 N ATOM 0 H ARG A 41 0.917 -2.170 -5.715 1.00 0.00 H new ATOM 0 HA ARG A 41 3.375 -3.245 -6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.961 -5.205 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.231 -5.168 -5.932 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.019 -4.508 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.308 -3.998 -7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.399 -6.715 -7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.579 -6.670 -5.918 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.450 -6.405 -7.251 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.362 -5.340 -9.138 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.620 -4.889 -10.535 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.683 -5.681 -9.000 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.888 -5.079 -10.458 1.00 0.00 H new ATOM 619 N GLU A 42 2.666 -2.472 -9.198 1.00 0.00 N ATOM 620 CA GLU A 42 2.322 -1.821 -10.476 1.00 0.00 C ATOM 621 C GLU A 42 1.422 -2.791 -11.268 1.00 0.00 C ATOM 622 O GLU A 42 1.471 -3.992 -11.017 1.00 0.00 O ATOM 623 CB GLU A 42 3.589 -1.419 -11.268 1.00 0.00 C ATOM 624 CG GLU A 42 3.209 -0.714 -12.586 1.00 0.00 C ATOM 625 CD GLU A 42 4.346 0.049 -13.266 1.00 0.00 C ATOM 626 OE1 GLU A 42 4.701 1.137 -12.752 1.00 0.00 O ATOM 627 OE2 GLU A 42 4.828 -0.368 -14.344 1.00 0.00 O ATOM 0 H GLU A 42 3.594 -2.896 -9.191 1.00 0.00 H new ATOM 0 HA GLU A 42 1.784 -0.891 -10.294 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.208 -0.758 -10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.186 -2.305 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.826 -1.461 -13.282 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.394 -0.018 -12.386 1.00 0.00 H new ATOM 634 N SER A 43 0.601 -2.326 -12.213 1.00 0.00 N ATOM 635 CA SER A 43 -0.288 -3.177 -13.002 1.00 0.00 C ATOM 636 C SER A 43 0.494 -4.185 -13.868 1.00 0.00 C ATOM 637 O SER A 43 1.726 -4.243 -13.845 1.00 0.00 O ATOM 638 CB SER A 43 -1.236 -2.282 -13.809 1.00 0.00 C ATOM 639 OG SER A 43 -2.328 -3.021 -14.317 1.00 0.00 O ATOM 0 H SER A 43 0.535 -1.337 -12.453 1.00 0.00 H new ATOM 0 HA SER A 43 -0.890 -3.797 -12.338 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.603 -1.474 -13.177 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.691 -1.820 -14.633 1.00 0.00 H new ATOM 0 HG SER A 43 -2.917 -2.426 -14.826 1.00 0.00 H new ATOM 645 N GLN A 44 -0.222 -5.044 -14.599 1.00 0.00 N ATOM 646 CA GLN A 44 0.390 -6.058 -15.460 1.00 0.00 C ATOM 647 C GLN A 44 1.262 -5.381 -16.517 1.00 0.00 C ATOM 648 O GLN A 44 2.425 -5.748 -16.684 1.00 0.00 O ATOM 649 CB GLN A 44 -0.681 -6.970 -16.078 1.00 0.00 C ATOM 650 CG GLN A 44 -1.348 -7.828 -14.994 1.00 0.00 C ATOM 651 CD GLN A 44 -2.326 -8.839 -15.578 1.00 0.00 C ATOM 652 OE1 GLN A 44 -3.446 -8.499 -15.944 1.00 0.00 O ATOM 653 NE2 GLN A 44 -1.976 -10.110 -15.624 1.00 0.00 N ATOM 0 H GLN A 44 -1.242 -5.055 -14.610 1.00 0.00 H new ATOM 0 HA GLN A 44 1.035 -6.700 -14.861 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -1.433 -6.366 -16.585 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -0.228 -7.614 -16.832 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -0.580 -8.354 -14.427 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -1.874 -7.180 -14.293 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -1.045 -10.394 -15.320 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.637 -10.809 -15.964 1.00 0.00 H new ATOM 662 N GLY A 45 0.733 -4.346 -17.170 1.00 0.00 N ATOM 663 CA GLY A 45 1.439 -3.595 -18.195 1.00 0.00 C ATOM 664 C GLY A 45 1.011 -2.137 -18.215 1.00 0.00 C ATOM 665 O GLY A 45 0.944 -1.551 -19.296 1.00 0.00 O ATOM 0 H GLY A 45 -0.212 -4.005 -16.995 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.513 -3.657 -18.018 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.250 -4.044 -19.170 1.00 0.00 H new ATOM 669 N LYS A 46 0.647 -1.559 -17.063 1.00 0.00 N ATOM 670 CA LYS A 46 0.220 -0.169 -17.008 1.00 0.00 C ATOM 671 C LYS A 46 0.826 0.535 -15.808 1.00 0.00 C ATOM 672 O LYS A 46 0.977 -0.056 -14.738 1.00 0.00 O ATOM 673 CB LYS A 46 -1.321 -0.079 -17.013 1.00 0.00 C ATOM 674 CG LYS A 46 -1.863 1.260 -17.544 1.00 0.00 C ATOM 675 CD LYS A 46 -1.529 1.457 -19.032 1.00 0.00 C ATOM 676 CE LYS A 46 -2.356 2.568 -19.681 1.00 0.00 C ATOM 677 NZ LYS A 46 -1.943 3.931 -19.290 1.00 0.00 N ATOM 0 H LYS A 46 0.642 -2.037 -16.162 1.00 0.00 H new ATOM 0 HA LYS A 46 0.583 0.345 -17.898 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.721 -0.890 -17.622 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.688 -0.232 -15.998 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.944 1.296 -17.405 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.440 2.080 -16.964 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.469 1.692 -19.134 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.702 0.522 -19.566 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.284 2.475 -20.765 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.404 2.428 -19.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.548 4.628 -19.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.037 4.040 -18.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.952 4.086 -19.565 1.00 0.00 H new ATOM 691 N GLN A 47 1.091 1.821 -16.004 1.00 0.00 N ATOM 692 CA GLN A 47 1.661 2.787 -15.088 1.00 0.00 C ATOM 693 C GLN A 47 0.598 3.154 -14.045 1.00 0.00 C ATOM 694 O GLN A 47 0.121 4.287 -14.000 1.00 0.00 O ATOM 695 CB GLN A 47 2.125 4.018 -15.899 1.00 0.00 C ATOM 696 CG GLN A 47 3.098 3.725 -17.056 1.00 0.00 C ATOM 697 CD GLN A 47 2.406 3.303 -18.352 1.00 0.00 C ATOM 698 OE1 GLN A 47 2.083 2.144 -18.569 1.00 0.00 O ATOM 699 NE2 GLN A 47 2.103 4.227 -19.239 1.00 0.00 N ATOM 0 H GLN A 47 0.888 2.253 -16.906 1.00 0.00 H new ATOM 0 HA GLN A 47 2.526 2.381 -14.563 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.245 4.515 -16.306 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.602 4.722 -15.216 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.698 4.615 -17.248 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.786 2.937 -16.749 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.365 5.199 -19.073 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.606 3.971 -20.092 1.00 0.00 H new ATOM 708 N GLU A 48 0.179 2.186 -13.235 1.00 0.00 N ATOM 709 CA GLU A 48 -0.825 2.352 -12.202 1.00 0.00 C ATOM 710 C GLU A 48 -0.466 1.482 -11.002 1.00 0.00 C ATOM 711 O GLU A 48 -0.288 0.267 -11.151 1.00 0.00 O ATOM 712 CB GLU A 48 -2.183 1.963 -12.803 1.00 0.00 C ATOM 713 CG GLU A 48 -3.305 1.989 -11.765 1.00 0.00 C ATOM 714 CD GLU A 48 -4.660 1.823 -12.440 1.00 0.00 C ATOM 715 OE1 GLU A 48 -5.001 0.670 -12.809 1.00 0.00 O ATOM 716 OE2 GLU A 48 -5.328 2.847 -12.705 1.00 0.00 O ATOM 0 H GLU A 48 0.544 1.235 -13.286 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.872 3.384 -11.853 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.427 2.647 -13.616 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.114 0.965 -13.235 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.154 1.191 -11.038 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.279 2.930 -11.216 1.00 0.00 H new ATOM 723 N TYR A 49 -0.346 2.086 -9.819 1.00 0.00 N ATOM 724 CA TYR A 49 -0.035 1.387 -8.581 1.00 0.00 C ATOM 725 C TYR A 49 -1.349 0.931 -7.953 1.00 0.00 C ATOM 726 O TYR A 49 -2.352 1.640 -8.021 1.00 0.00 O ATOM 727 CB TYR A 49 0.680 2.313 -7.590 1.00 0.00 C ATOM 728 CG TYR A 49 2.055 2.817 -7.990 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.028 1.945 -8.515 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.371 4.175 -7.801 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.303 2.428 -8.860 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.645 4.666 -8.130 1.00 0.00 C ATOM 733 CZ TYR A 49 4.623 3.792 -8.653 1.00 0.00 C ATOM 734 OH TYR A 49 5.867 4.270 -8.934 1.00 0.00 O ATOM 0 H TYR A 49 -0.465 3.092 -9.697 1.00 0.00 H new ATOM 0 HA TYR A 49 0.618 0.543 -8.804 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.041 3.178 -7.412 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.775 1.786 -6.641 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.794 0.900 -8.653 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.627 4.846 -7.399 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.038 1.759 -9.283 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.876 5.711 -7.983 1.00 0.00 H new ATOM 0 HH TYR A 49 5.903 5.228 -8.731 1.00 0.00 H new ATOM 744 N VAL A 50 -1.342 -0.219 -7.291 1.00 0.00 N ATOM 745 CA VAL A 50 -2.487 -0.809 -6.621 1.00 0.00 C ATOM 746 C VAL A 50 -2.018 -1.252 -5.252 1.00 0.00 C ATOM 747 O VAL A 50 -0.912 -1.781 -5.106 1.00 0.00 O ATOM 748 CB VAL A 50 -3.028 -2.000 -7.444 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.815 -3.037 -6.631 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.910 -1.480 -8.584 1.00 0.00 C ATOM 0 H VAL A 50 -0.500 -0.788 -7.204 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.303 -0.093 -6.524 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.147 -2.518 -7.824 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.155 -3.835 -7.291 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.173 -3.456 -5.856 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.677 -2.558 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.290 -2.322 -9.163 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.746 -0.917 -8.169 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.322 -0.830 -9.232 1.00 0.00 H new ATOM 760 N LEU A 51 -2.868 -1.009 -4.260 1.00 0.00 N ATOM 761 CA LEU A 51 -2.634 -1.392 -2.886 1.00 0.00 C ATOM 762 C LEU A 51 -3.373 -2.718 -2.745 1.00 0.00 C ATOM 763 O LEU A 51 -4.592 -2.764 -2.936 1.00 0.00 O ATOM 764 CB LEU A 51 -3.215 -0.347 -1.924 1.00 0.00 C ATOM 765 CG LEU A 51 -2.820 -0.574 -0.458 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.357 -0.206 -0.217 1.00 0.00 C ATOM 767 CD2 LEU A 51 -3.725 0.251 0.458 1.00 0.00 C ATOM 0 H LEU A 51 -3.757 -0.529 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.573 -1.471 -2.647 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.881 0.644 -2.232 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.302 -0.356 -2.004 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.944 -1.633 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.106 -0.377 0.830 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.718 -0.823 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.201 0.845 -0.460 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.439 0.085 1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.620 1.309 0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.762 -0.052 0.314 1.00 0.00 H new ATOM 779 N SER A 52 -2.646 -3.813 -2.572 1.00 0.00 N ATOM 780 CA SER A 52 -3.242 -5.123 -2.388 1.00 0.00 C ATOM 781 C SER A 52 -3.114 -5.380 -0.891 1.00 0.00 C ATOM 782 O SER A 52 -2.023 -5.244 -0.340 1.00 0.00 O ATOM 783 CB SER A 52 -2.523 -6.193 -3.221 1.00 0.00 C ATOM 784 OG SER A 52 -3.084 -6.366 -4.510 1.00 0.00 O ATOM 0 H SER A 52 -1.626 -3.815 -2.556 1.00 0.00 H new ATOM 0 HA SER A 52 -4.278 -5.163 -2.724 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.473 -5.920 -3.322 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.556 -7.143 -2.687 1.00 0.00 H new ATOM 0 HG SER A 52 -4.062 -6.375 -4.443 1.00 0.00 H new ATOM 790 N VAL A 53 -4.218 -5.676 -0.214 1.00 0.00 N ATOM 791 CA VAL A 53 -4.217 -5.970 1.219 1.00 0.00 C ATOM 792 C VAL A 53 -5.020 -7.245 1.439 1.00 0.00 C ATOM 793 O VAL A 53 -5.788 -7.624 0.563 1.00 0.00 O ATOM 794 CB VAL A 53 -4.690 -4.781 2.085 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.626 -3.411 1.408 1.00 0.00 C ATOM 796 CG2 VAL A 53 -6.052 -4.943 2.715 1.00 0.00 C ATOM 0 H VAL A 53 -5.143 -5.720 -0.642 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.193 -6.133 1.556 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.941 -4.807 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.979 -2.646 2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.597 -3.194 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.256 -3.415 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.290 -4.055 3.301 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.801 -5.073 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.050 -5.818 3.366 1.00 0.00 H new ATOM 806 N LEU A 54 -4.880 -7.912 2.579 1.00 0.00 N ATOM 807 CA LEU A 54 -5.606 -9.134 2.890 1.00 0.00 C ATOM 808 C LEU A 54 -6.653 -8.777 3.926 1.00 0.00 C ATOM 809 O LEU A 54 -6.365 -8.008 4.842 1.00 0.00 O ATOM 810 CB LEU A 54 -4.615 -10.205 3.372 1.00 0.00 C ATOM 811 CG LEU A 54 -5.244 -11.541 3.809 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.130 -12.155 2.719 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.122 -12.530 4.138 1.00 0.00 C ATOM 0 H LEU A 54 -4.249 -7.613 3.323 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.109 -9.555 2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -3.903 -10.403 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.047 -9.799 4.210 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.871 -11.342 4.678 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.549 -13.095 3.078 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.939 -11.466 2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.533 -12.341 1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.555 -13.481 4.449 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.503 -12.685 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.509 -12.129 4.945 1.00 0.00 H new ATOM 825 N TRP A 55 -7.873 -9.287 3.786 1.00 0.00 N ATOM 826 CA TRP A 55 -8.930 -9.019 4.738 1.00 0.00 C ATOM 827 C TRP A 55 -9.932 -10.159 4.656 1.00 0.00 C ATOM 828 O TRP A 55 -10.452 -10.450 3.582 1.00 0.00 O ATOM 829 CB TRP A 55 -9.592 -7.673 4.445 1.00 0.00 C ATOM 830 CG TRP A 55 -10.326 -7.068 5.600 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.665 -7.113 5.776 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.799 -6.268 6.707 1.00 0.00 C ATOM 833 NE1 TRP A 55 -12.010 -6.341 6.866 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.904 -5.809 7.484 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.516 -5.834 7.117 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.749 -4.949 8.580 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -8.352 -4.972 8.213 1.00 0.00 C ATOM 838 CH2 TRP A 55 -9.464 -4.512 8.933 1.00 0.00 C ATOM 0 H TRP A 55 -8.149 -9.893 3.013 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.525 -8.958 5.748 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.826 -6.972 4.113 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.289 -7.800 3.617 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.357 -7.667 5.159 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.969 -6.184 7.175 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.645 -6.173 6.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.610 -4.626 9.147 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.360 -4.660 8.504 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -9.331 -3.825 9.755 1.00 0.00 H new ATOM 849 N ASP A 56 -10.206 -10.793 5.791 1.00 0.00 N ATOM 850 CA ASP A 56 -11.143 -11.904 5.957 1.00 0.00 C ATOM 851 C ASP A 56 -10.811 -13.132 5.087 1.00 0.00 C ATOM 852 O ASP A 56 -11.669 -13.973 4.810 1.00 0.00 O ATOM 853 CB ASP A 56 -12.586 -11.386 5.783 1.00 0.00 C ATOM 854 CG ASP A 56 -13.615 -12.022 6.722 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.250 -12.773 7.659 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.797 -11.604 6.666 1.00 0.00 O ATOM 0 H ASP A 56 -9.757 -10.533 6.669 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.041 -12.287 6.972 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.591 -10.307 5.939 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.898 -11.561 4.753 1.00 0.00 H new ATOM 861 N GLY A 57 -9.552 -13.231 4.644 1.00 0.00 N ATOM 862 CA GLY A 57 -9.037 -14.310 3.803 1.00 0.00 C ATOM 863 C GLY A 57 -9.084 -13.987 2.307 1.00 0.00 C ATOM 864 O GLY A 57 -8.658 -14.808 1.492 1.00 0.00 O ATOM 0 H GLY A 57 -8.841 -12.536 4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.007 -14.524 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.615 -15.215 3.991 1.00 0.00 H new ATOM 868 N LEU A 58 -9.553 -12.799 1.922 1.00 0.00 N ATOM 869 CA LEU A 58 -9.670 -12.349 0.540 1.00 0.00 C ATOM 870 C LEU A 58 -8.683 -11.211 0.269 1.00 0.00 C ATOM 871 O LEU A 58 -8.826 -10.169 0.908 1.00 0.00 O ATOM 872 CB LEU A 58 -11.122 -11.868 0.335 1.00 0.00 C ATOM 873 CG LEU A 58 -11.370 -11.055 -0.953 1.00 0.00 C ATOM 874 CD1 LEU A 58 -11.303 -11.919 -2.214 1.00 0.00 C ATOM 875 CD2 LEU A 58 -12.736 -10.366 -0.882 1.00 0.00 C ATOM 0 H LEU A 58 -9.873 -12.100 2.592 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.436 -13.158 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.778 -12.738 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.410 -11.258 1.191 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.575 -10.313 -1.019 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.485 -11.298 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.316 -12.375 -2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -12.061 -12.701 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.903 -9.794 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.518 -11.118 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.761 -9.694 -0.024 1.00 0.00 H new ATOM 887 N PRO A 59 -7.699 -11.346 -0.644 1.00 0.00 N ATOM 888 CA PRO A 59 -6.791 -10.256 -0.940 1.00 0.00 C ATOM 889 C PRO A 59 -7.587 -9.214 -1.742 1.00 0.00 C ATOM 890 O PRO A 59 -8.058 -9.446 -2.861 1.00 0.00 O ATOM 891 CB PRO A 59 -5.595 -10.864 -1.670 1.00 0.00 C ATOM 892 CG PRO A 59 -6.127 -12.161 -2.278 1.00 0.00 C ATOM 893 CD PRO A 59 -7.380 -12.508 -1.460 1.00 0.00 C ATOM 0 HA PRO A 59 -6.394 -9.738 -0.067 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.218 -10.191 -2.440 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.770 -11.058 -0.985 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.369 -12.031 -3.333 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.385 -12.957 -2.218 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.213 -12.755 -2.119 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.200 -13.381 -0.832 1.00 0.00 H new ATOM 901 N ARG A 60 -7.854 -8.100 -1.076 1.00 0.00 N ATOM 902 CA ARG A 60 -8.584 -6.923 -1.487 1.00 0.00 C ATOM 903 C ARG A 60 -7.709 -5.998 -2.316 1.00 0.00 C ATOM 904 O ARG A 60 -6.596 -5.676 -1.902 1.00 0.00 O ATOM 905 CB ARG A 60 -8.931 -6.159 -0.196 1.00 0.00 C ATOM 906 CG ARG A 60 -9.733 -6.909 0.871 1.00 0.00 C ATOM 907 CD ARG A 60 -11.084 -7.407 0.366 1.00 0.00 C ATOM 908 NE ARG A 60 -11.971 -6.299 -0.040 1.00 0.00 N ATOM 909 CZ ARG A 60 -13.309 -6.346 -0.062 1.00 0.00 C ATOM 910 NH1 ARG A 60 -13.944 -7.457 0.297 1.00 0.00 N ATOM 911 NH2 ARG A 60 -14.003 -5.289 -0.455 1.00 0.00 N ATOM 0 H ARG A 60 -7.520 -7.994 -0.118 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.454 -7.218 -2.074 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.999 -5.823 0.258 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.491 -5.266 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.149 -7.758 1.225 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -9.891 -6.252 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.929 -8.075 -0.481 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -11.569 -7.991 1.148 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.528 -5.426 -0.327 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.412 -8.276 0.590 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.963 -7.490 0.279 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.518 -4.438 -0.741 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -15.022 -5.325 -0.472 1.00 0.00 H new ATOM 925 N HIS A 61 -8.187 -5.550 -3.473 1.00 0.00 N ATOM 926 CA HIS A 61 -7.441 -4.619 -4.301 1.00 0.00 C ATOM 927 C HIS A 61 -8.062 -3.245 -4.121 1.00 0.00 C ATOM 928 O HIS A 61 -9.292 -3.115 -4.076 1.00 0.00 O ATOM 929 CB HIS A 61 -7.562 -4.972 -5.783 1.00 0.00 C ATOM 930 CG HIS A 61 -6.844 -6.229 -6.162 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.513 -6.503 -5.953 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.407 -7.299 -6.792 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.266 -7.719 -6.461 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.378 -8.215 -7.035 1.00 0.00 N ATOM 0 H HIS A 61 -9.093 -5.821 -3.857 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.392 -4.653 -4.007 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.617 -5.075 -6.038 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.170 -4.147 -6.377 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.448 -7.417 -7.053 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.314 -8.227 -6.416 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.456 -9.092 -7.550 1.00 0.00 H new ATOM 942 N PHE A 62 -7.224 -2.220 -4.098 1.00 0.00 N ATOM 943 CA PHE A 62 -7.627 -0.837 -3.979 1.00 0.00 C ATOM 944 C PHE A 62 -6.884 -0.116 -5.089 1.00 0.00 C ATOM 945 O PHE A 62 -5.651 -0.150 -5.158 1.00 0.00 O ATOM 946 CB PHE A 62 -7.351 -0.286 -2.592 1.00 0.00 C ATOM 947 CG PHE A 62 -8.123 -1.008 -1.517 1.00 0.00 C ATOM 948 CD1 PHE A 62 -7.592 -2.168 -0.922 1.00 0.00 C ATOM 949 CD2 PHE A 62 -9.400 -0.546 -1.158 1.00 0.00 C ATOM 950 CE1 PHE A 62 -8.329 -2.844 0.059 1.00 0.00 C ATOM 951 CE2 PHE A 62 -10.145 -1.255 -0.200 1.00 0.00 C ATOM 952 CZ PHE A 62 -9.607 -2.392 0.416 1.00 0.00 C ATOM 0 H PHE A 62 -6.213 -2.337 -4.164 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.703 -0.703 -4.092 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.284 -0.361 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -7.607 0.773 -2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.621 -2.535 -1.220 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.805 0.345 -1.614 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -7.912 -3.715 0.541 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -11.138 -0.921 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.177 -2.920 1.166 1.00 0.00 H new ATOM 962 N ILE A 63 -7.657 0.387 -6.041 1.00 0.00 N ATOM 963 CA ILE A 63 -7.186 1.110 -7.202 1.00 0.00 C ATOM 964 C ILE A 63 -6.843 2.498 -6.670 1.00 0.00 C ATOM 965 O ILE A 63 -7.743 3.315 -6.472 1.00 0.00 O ATOM 966 CB ILE A 63 -8.265 1.099 -8.315 1.00 0.00 C ATOM 967 CG1 ILE A 63 -8.610 -0.355 -8.732 1.00 0.00 C ATOM 968 CG2 ILE A 63 -7.796 1.883 -9.555 1.00 0.00 C ATOM 969 CD1 ILE A 63 -9.873 -0.456 -9.592 1.00 0.00 C ATOM 0 H ILE A 63 -8.673 0.296 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.311 0.667 -7.678 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.154 1.580 -7.908 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.769 -0.777 -9.283 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.740 -0.961 -7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.574 1.857 -10.318 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.595 2.918 -9.277 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.886 1.430 -9.949 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.056 -1.500 -9.848 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.724 -0.064 -9.036 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.739 0.124 -10.505 1.00 0.00 H new ATOM 981 N ILE A 64 -5.569 2.708 -6.321 1.00 0.00 N ATOM 982 CA ILE A 64 -5.054 3.970 -5.812 1.00 0.00 C ATOM 983 C ILE A 64 -5.328 4.967 -6.935 1.00 0.00 C ATOM 984 O ILE A 64 -4.771 4.820 -8.030 1.00 0.00 O ATOM 985 CB ILE A 64 -3.546 3.878 -5.470 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.198 2.668 -4.568 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.133 5.198 -4.800 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.687 2.452 -4.392 1.00 0.00 C ATOM 0 H ILE A 64 -4.855 1.983 -6.389 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.530 4.266 -4.877 1.00 0.00 H new ATOM 0 HB ILE A 64 -2.990 3.719 -6.394 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.653 2.812 -3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.639 1.767 -4.995 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.073 5.162 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.315 6.026 -5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.718 5.344 -3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.515 1.589 -3.749 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.229 2.277 -5.365 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.244 3.337 -3.936 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.233 5.916 -6.716 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.585 6.898 -7.725 1.00 0.00 C ATOM 1002 C GLN A 65 -5.579 8.047 -7.676 1.00 0.00 C ATOM 1003 O GLN A 65 -4.811 8.175 -6.720 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.054 7.323 -7.562 1.00 0.00 C ATOM 1005 CG GLN A 65 -8.956 6.085 -7.407 1.00 0.00 C ATOM 1006 CD GLN A 65 -10.424 6.388 -7.641 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -11.096 6.955 -6.785 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -10.958 6.002 -8.788 1.00 0.00 N ATOM 0 H GLN A 65 -6.739 6.022 -5.837 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.520 6.475 -8.727 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.158 7.968 -6.690 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.369 7.905 -8.428 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.633 5.317 -8.109 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.831 5.674 -6.405 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.382 5.532 -9.486 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.946 6.174 -8.974 1.00 0.00 H new ATOM 1017 N SER A 66 -5.576 8.878 -8.710 1.00 0.00 N ATOM 1018 CA SER A 66 -4.691 10.019 -8.880 1.00 0.00 C ATOM 1019 C SER A 66 -5.549 11.174 -9.389 1.00 0.00 C ATOM 1020 O SER A 66 -5.911 11.222 -10.572 1.00 0.00 O ATOM 1021 CB SER A 66 -3.538 9.602 -9.807 1.00 0.00 C ATOM 1022 OG SER A 66 -3.926 8.728 -10.869 1.00 0.00 O ATOM 0 H SER A 66 -6.223 8.768 -9.490 1.00 0.00 H new ATOM 0 HA SER A 66 -4.218 10.356 -7.958 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.089 10.498 -10.235 1.00 0.00 H new ATOM 0 HB3 SER A 66 -2.767 9.112 -9.212 1.00 0.00 H new ATOM 0 HG SER A 66 -3.142 8.509 -11.415 1.00 0.00 H new ATOM 1028 N LEU A 67 -5.935 12.065 -8.477 1.00 0.00 N ATOM 1029 CA LEU A 67 -6.787 13.200 -8.772 1.00 0.00 C ATOM 1030 C LEU A 67 -6.093 14.489 -8.377 1.00 0.00 C ATOM 1031 O LEU A 67 -5.574 14.598 -7.269 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.104 13.015 -8.001 1.00 0.00 C ATOM 1033 CG LEU A 67 -9.167 14.086 -8.309 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -9.736 13.935 -9.724 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -10.309 13.947 -7.300 1.00 0.00 C ATOM 0 H LEU A 67 -5.656 12.011 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 67 -6.996 13.259 -9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.515 12.033 -8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.892 13.026 -6.932 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.694 15.065 -8.238 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.482 14.710 -9.901 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.931 14.034 -10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.200 12.954 -9.827 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.070 14.700 -7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.749 12.953 -7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.922 14.089 -6.291 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.065 15.464 -9.282 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.461 16.781 -9.058 1.00 0.00 C ATOM 1049 C ASP A 68 -3.975 16.760 -8.645 1.00 0.00 C ATOM 1050 O ASP A 68 -3.467 17.777 -8.170 1.00 0.00 O ATOM 1051 CB ASP A 68 -6.351 17.559 -8.071 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.023 19.046 -8.010 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -5.913 19.692 -9.078 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -5.981 19.613 -6.894 1.00 0.00 O ATOM 0 H ASP A 68 -6.470 15.361 -10.213 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.427 17.297 -10.017 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -7.395 17.435 -8.358 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.241 17.128 -7.076 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.267 15.642 -8.875 1.00 0.00 N ATOM 1060 CA ASN A 69 -1.844 15.331 -8.601 1.00 0.00 C ATOM 1061 C ASN A 69 -1.639 14.676 -7.226 1.00 0.00 C ATOM 1062 O ASN A 69 -0.487 14.443 -6.845 1.00 0.00 O ATOM 1063 CB ASN A 69 -0.863 16.519 -8.770 1.00 0.00 C ATOM 1064 CG ASN A 69 -0.872 17.127 -10.165 1.00 0.00 C ATOM 1065 OD1 ASN A 69 -0.061 16.785 -11.016 1.00 0.00 O ATOM 1066 ND2 ASN A 69 -1.773 18.056 -10.431 1.00 0.00 N ATOM 0 H ASN A 69 -3.726 14.840 -9.307 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.592 14.615 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.115 17.293 -8.045 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.147 16.181 -8.537 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.797 18.495 -11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.445 18.335 -9.716 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.716 14.406 -6.476 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.685 13.807 -5.142 1.00 0.00 C ATOM 1075 C LEU A 70 -3.355 12.434 -5.193 1.00 0.00 C ATOM 1076 O LEU A 70 -4.467 12.293 -5.718 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.367 14.742 -4.124 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.429 15.790 -3.497 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -1.850 16.812 -4.480 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.124 16.515 -2.353 1.00 0.00 C ATOM 0 H LEU A 70 -3.664 14.607 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.654 13.672 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.191 15.258 -4.618 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.801 14.138 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.578 15.217 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.203 17.506 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.271 16.294 -5.245 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.663 17.364 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.445 17.251 -1.923 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.015 17.019 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.411 15.795 -1.587 1.00 0.00 H new ATOM 1092 N TYR A 71 -2.685 11.416 -4.644 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.188 10.049 -4.648 1.00 0.00 C ATOM 1094 C TYR A 71 -4.187 9.835 -3.537 1.00 0.00 C ATOM 1095 O TYR A 71 -3.859 10.131 -2.385 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.062 9.040 -4.433 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.014 9.045 -5.509 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.261 8.400 -6.732 1.00 0.00 C ATOM 1099 CD2 TYR A 71 0.209 9.685 -5.265 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.264 8.369 -7.721 1.00 0.00 C ATOM 1101 CE2 TYR A 71 1.210 9.661 -6.252 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.983 8.983 -7.476 1.00 0.00 C ATOM 1103 OH TYR A 71 1.964 8.900 -8.415 1.00 0.00 O ATOM 0 H TYR A 71 -1.780 11.522 -4.186 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.654 9.898 -5.622 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.584 9.245 -3.475 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.493 8.041 -4.366 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.216 7.929 -6.912 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.381 10.192 -4.327 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.451 7.878 -8.664 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.152 10.159 -6.078 1.00 0.00 H new ATOM 0 HH TYR A 71 2.761 9.374 -8.098 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.362 9.285 -3.844 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.385 9.032 -2.837 1.00 0.00 C ATOM 1115 C ARG A 72 -7.303 7.873 -3.213 1.00 0.00 C ATOM 1116 O ARG A 72 -7.274 7.383 -4.343 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.200 10.311 -2.575 1.00 0.00 C ATOM 1118 CG ARG A 72 -7.721 11.014 -3.839 1.00 0.00 C ATOM 1119 CD ARG A 72 -8.923 11.909 -3.508 1.00 0.00 C ATOM 1120 NE ARG A 72 -10.113 11.063 -3.350 1.00 0.00 N ATOM 1121 CZ ARG A 72 -11.118 11.169 -2.480 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -11.279 12.255 -1.729 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -11.975 10.156 -2.393 1.00 0.00 N ATOM 0 H ARG A 72 -5.627 9.006 -4.789 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.872 8.740 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -8.049 10.060 -1.940 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.580 11.012 -2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.926 11.614 -4.281 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -8.009 10.270 -4.582 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.735 12.471 -2.593 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.081 12.638 -4.303 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.181 10.280 -4.001 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.625 13.033 -1.811 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -12.057 12.310 -1.071 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.852 9.332 -2.981 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.756 10.203 -1.738 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.143 7.472 -2.256 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.135 6.405 -2.383 1.00 0.00 C ATOM 1139 C LEU A 73 -10.507 6.925 -1.967 1.00 0.00 C ATOM 1140 O LEU A 73 -11.289 7.327 -2.829 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.751 5.147 -1.576 1.00 0.00 C ATOM 1142 CG LEU A 73 -7.850 4.170 -2.346 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -7.296 3.132 -1.375 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -8.616 3.446 -3.456 1.00 0.00 C ATOM 0 H LEU A 73 -8.150 7.902 -1.331 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.168 6.102 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.242 5.454 -0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.661 4.628 -1.275 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.046 4.745 -2.805 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.655 2.435 -1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.716 3.632 -0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.121 2.586 -0.916 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.944 2.764 -3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.440 2.881 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.010 4.177 -4.162 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.814 6.925 -0.667 1.00 0.00 N ATOM 1157 CA GLU A 74 -12.099 7.374 -0.122 1.00 0.00 C ATOM 1158 C GLU A 74 -11.904 8.427 0.977 1.00 0.00 C ATOM 1159 O GLU A 74 -12.847 8.761 1.691 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.929 6.150 0.325 1.00 0.00 C ATOM 1161 CG GLU A 74 -14.439 6.285 0.049 1.00 0.00 C ATOM 1162 CD GLU A 74 -15.241 7.026 1.126 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -15.550 6.399 2.167 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -15.690 8.175 0.902 1.00 0.00 O ATOM 0 H GLU A 74 -10.163 6.606 0.051 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.671 7.880 -0.900 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.554 5.263 -0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.778 5.991 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -14.573 6.803 -0.900 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -14.860 5.287 -0.071 1.00 0.00 H new ATOM 1171 N GLY A 75 -10.680 8.922 1.136 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.269 9.930 2.092 1.00 0.00 C ATOM 1173 C GLY A 75 -9.349 10.905 1.365 1.00 0.00 C ATOM 1174 O GLY A 75 -9.224 10.851 0.140 1.00 0.00 O ATOM 0 H GLY A 75 -9.901 8.604 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.137 10.451 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.752 9.471 2.934 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.716 11.803 2.111 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.800 12.798 1.568 1.00 0.00 C ATOM 1180 C GLU A 76 -6.612 12.120 0.875 1.00 0.00 C ATOM 1181 O GLU A 76 -6.335 10.936 1.122 1.00 0.00 O ATOM 1182 CB GLU A 76 -7.316 13.701 2.714 1.00 0.00 C ATOM 1183 CG GLU A 76 -6.956 15.132 2.281 1.00 0.00 C ATOM 1184 CD GLU A 76 -8.068 15.878 1.545 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -9.270 15.609 1.771 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -7.731 16.725 0.687 1.00 0.00 O ATOM 0 H GLU A 76 -8.826 11.861 3.123 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.317 13.401 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.093 13.749 3.477 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.442 13.243 3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.677 15.705 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -6.077 15.092 1.637 1.00 0.00 H new ATOM 1193 N GLY A 77 -5.895 12.872 0.040 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.749 12.399 -0.701 1.00 0.00 C ATOM 1195 C GLY A 77 -3.496 13.195 -0.406 1.00 0.00 C ATOM 1196 O GLY A 77 -3.506 14.185 0.330 1.00 0.00 O ATOM 0 H GLY A 77 -6.110 13.853 -0.137 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.574 11.350 -0.461 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.965 12.450 -1.768 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.394 12.743 -0.998 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.084 13.356 -0.832 1.00 0.00 C ATOM 1202 C PHE A 78 -0.304 13.340 -2.144 1.00 0.00 C ATOM 1203 O PHE A 78 -0.570 12.493 -2.999 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.279 12.582 0.213 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.664 12.814 1.660 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -1.793 12.181 2.200 1.00 0.00 C ATOM 1207 CD2 PHE A 78 0.143 13.613 2.489 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.073 12.275 3.573 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.142 13.719 3.859 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.246 13.045 4.405 1.00 0.00 C ATOM 0 H PHE A 78 -2.388 11.930 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.235 14.387 -0.513 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.374 11.517 -0.001 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.774 12.838 0.093 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.452 11.617 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.984 14.146 2.071 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.924 11.755 3.988 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.490 14.321 4.495 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.458 13.119 5.461 1.00 0.00 H new ATOM 1220 N PRO A 79 0.712 14.213 -2.282 1.00 0.00 N ATOM 1221 CA PRO A 79 1.548 14.334 -3.474 1.00 0.00 C ATOM 1222 C PRO A 79 2.429 13.116 -3.748 1.00 0.00 C ATOM 1223 O PRO A 79 3.226 13.129 -4.687 1.00 0.00 O ATOM 1224 CB PRO A 79 2.407 15.577 -3.223 1.00 0.00 C ATOM 1225 CG PRO A 79 2.488 15.679 -1.709 1.00 0.00 C ATOM 1226 CD PRO A 79 1.084 15.241 -1.318 1.00 0.00 C ATOM 0 HA PRO A 79 0.921 14.410 -4.362 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.397 15.473 -3.668 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.954 16.468 -3.658 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.255 15.027 -1.291 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.713 16.692 -1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.064 14.850 -0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.388 16.079 -1.351 1.00 0.00 H new ATOM 1234 N SER A 80 2.393 12.089 -2.901 1.00 0.00 N ATOM 1235 CA SER A 80 3.188 10.886 -3.085 1.00 0.00 C ATOM 1236 C SER A 80 2.468 9.703 -2.442 1.00 0.00 C ATOM 1237 O SER A 80 1.612 9.895 -1.578 1.00 0.00 O ATOM 1238 CB SER A 80 4.588 11.130 -2.509 1.00 0.00 C ATOM 1239 OG SER A 80 5.281 12.083 -3.297 1.00 0.00 O ATOM 0 H SER A 80 1.808 12.072 -2.066 1.00 0.00 H new ATOM 0 HA SER A 80 3.309 10.644 -4.141 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.510 11.485 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.146 10.194 -2.482 1.00 0.00 H new ATOM 0 HG SER A 80 4.749 12.299 -4.091 1.00 0.00 H new ATOM 1245 N ILE A 81 2.804 8.484 -2.865 1.00 0.00 N ATOM 1246 CA ILE A 81 2.191 7.268 -2.348 1.00 0.00 C ATOM 1247 C ILE A 81 2.528 7.048 -0.860 1.00 0.00 C ATOM 1248 O ILE A 81 1.579 6.915 -0.085 1.00 0.00 O ATOM 1249 CB ILE A 81 2.538 6.038 -3.228 1.00 0.00 C ATOM 1250 CG1 ILE A 81 2.072 6.190 -4.694 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.992 4.722 -2.634 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.568 6.034 -4.928 1.00 0.00 C ATOM 0 H ILE A 81 3.513 8.315 -3.579 1.00 0.00 H new ATOM 0 HA ILE A 81 1.110 7.394 -2.402 1.00 0.00 H new ATOM 0 HB ILE A 81 3.627 5.990 -3.232 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.378 7.172 -5.054 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.595 5.451 -5.301 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.260 3.890 -3.285 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.423 4.563 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.907 4.783 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.350 6.159 -5.989 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.251 5.042 -4.607 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.030 6.790 -4.356 1.00 0.00 H new ATOM 1264 N PRO A 82 3.812 7.029 -0.428 1.00 0.00 N ATOM 1265 CA PRO A 82 4.160 6.786 0.977 1.00 0.00 C ATOM 1266 C PRO A 82 3.556 7.829 1.921 1.00 0.00 C ATOM 1267 O PRO A 82 3.045 7.484 2.983 1.00 0.00 O ATOM 1268 CB PRO A 82 5.689 6.736 1.049 1.00 0.00 C ATOM 1269 CG PRO A 82 6.169 7.402 -0.233 1.00 0.00 C ATOM 1270 CD PRO A 82 5.026 7.187 -1.220 1.00 0.00 C ATOM 0 HA PRO A 82 3.735 5.842 1.318 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.060 7.262 1.929 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.047 5.709 1.117 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.368 8.463 -0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.095 6.953 -0.592 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.937 8.035 -1.900 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.205 6.304 -1.833 1.00 0.00 H new ATOM 1278 N LEU A 83 3.544 9.094 1.483 1.00 0.00 N ATOM 1279 CA LEU A 83 3.002 10.245 2.206 1.00 0.00 C ATOM 1280 C LEU A 83 1.578 9.945 2.706 1.00 0.00 C ATOM 1281 O LEU A 83 1.213 10.389 3.795 1.00 0.00 O ATOM 1282 CB LEU A 83 2.965 11.464 1.252 1.00 0.00 C ATOM 1283 CG LEU A 83 4.169 12.421 1.152 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.209 13.405 2.323 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.510 11.692 1.090 1.00 0.00 C ATOM 0 H LEU A 83 3.930 9.352 0.575 1.00 0.00 H new ATOM 0 HA LEU A 83 3.636 10.458 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.775 11.081 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.100 12.065 1.533 1.00 0.00 H new ATOM 0 HG LEU A 83 4.023 12.960 0.216 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.072 14.062 2.216 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.297 14.001 2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.287 12.853 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.317 12.421 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.640 11.092 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.531 11.043 0.215 1.00 0.00 H new ATOM 1297 N LEU A 84 0.773 9.238 1.901 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.600 8.862 2.224 1.00 0.00 C ATOM 1299 C LEU A 84 -0.638 7.566 3.018 1.00 0.00 C ATOM 1300 O LEU A 84 -1.312 7.540 4.038 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.428 8.784 0.928 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.913 8.347 0.972 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.085 6.831 1.111 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.744 9.059 2.044 1.00 0.00 C ATOM 0 H LEU A 84 1.072 8.906 0.984 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.046 9.624 2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.396 9.770 0.465 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.911 8.100 0.256 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.301 8.656 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.147 6.586 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.618 6.332 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.613 6.494 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.771 8.696 2.008 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.321 8.855 3.028 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.732 10.133 1.860 1.00 0.00 H new ATOM 1316 N ILE A 85 0.043 6.499 2.581 1.00 0.00 N ATOM 1317 CA ILE A 85 0.050 5.208 3.277 1.00 0.00 C ATOM 1318 C ILE A 85 0.292 5.401 4.772 1.00 0.00 C ATOM 1319 O ILE A 85 -0.512 4.943 5.584 1.00 0.00 O ATOM 1320 CB ILE A 85 1.098 4.261 2.637 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.728 3.844 1.197 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.386 3.001 3.477 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.612 3.116 1.060 1.00 0.00 C ATOM 0 H ILE A 85 0.607 6.508 1.731 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.929 4.741 3.168 1.00 0.00 H new ATOM 0 HB ILE A 85 2.010 4.858 2.606 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.706 4.736 0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.516 3.200 0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.128 2.386 2.968 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.768 3.295 4.455 1.00 0.00 H new ATOM 0 HG23 ILE A 85 0.466 2.430 3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.784 2.864 0.014 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.592 2.203 1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.415 3.762 1.414 1.00 0.00 H new ATOM 1335 N ASP A 86 1.373 6.095 5.121 1.00 0.00 N ATOM 1336 CA ASP A 86 1.748 6.351 6.507 1.00 0.00 C ATOM 1337 C ASP A 86 0.608 7.024 7.276 1.00 0.00 C ATOM 1338 O ASP A 86 0.362 6.684 8.432 1.00 0.00 O ATOM 1339 CB ASP A 86 3.031 7.181 6.521 1.00 0.00 C ATOM 1340 CG ASP A 86 3.891 6.942 7.763 1.00 0.00 C ATOM 1341 OD1 ASP A 86 3.683 7.616 8.795 1.00 0.00 O ATOM 1342 OD2 ASP A 86 4.852 6.134 7.670 1.00 0.00 O ATOM 0 H ASP A 86 2.018 6.499 4.442 1.00 0.00 H new ATOM 0 HA ASP A 86 1.937 5.408 7.020 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.616 6.948 5.632 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.772 8.238 6.464 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.143 7.933 6.634 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.255 8.620 7.276 1.00 0.00 C ATOM 1349 C HIS A 87 -2.331 7.621 7.725 1.00 0.00 C ATOM 1350 O HIS A 87 -2.875 7.760 8.829 1.00 0.00 O ATOM 1351 CB HIS A 87 -1.830 9.685 6.327 1.00 0.00 C ATOM 1352 CG HIS A 87 -2.889 10.550 6.952 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -2.658 11.673 7.707 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.244 10.371 6.859 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -3.853 12.161 8.074 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -4.856 11.410 7.576 1.00 0.00 N ATOM 0 H HIS A 87 0.009 8.205 5.663 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.891 9.123 8.172 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.017 10.320 5.974 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -2.250 9.189 5.452 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -1.747 12.064 7.945 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.749 9.576 6.331 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -3.993 13.039 8.687 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.671 6.632 6.888 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.691 5.626 7.211 1.00 0.00 C ATOM 1366 C LEU A 88 -3.187 4.729 8.320 1.00 0.00 C ATOM 1367 O LEU A 88 -3.969 4.322 9.169 1.00 0.00 O ATOM 1368 CB LEU A 88 -4.067 4.717 6.027 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.026 5.365 5.022 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.334 6.523 4.326 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.453 4.336 3.968 1.00 0.00 C ATOM 0 H LEU A 88 -2.247 6.507 5.969 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.578 6.190 7.501 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.156 4.422 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.523 3.805 6.413 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.904 5.727 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.019 6.981 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.032 7.264 5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.453 6.157 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.134 4.804 3.258 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.573 3.970 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.956 3.502 4.457 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.901 4.389 8.318 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.326 3.541 9.351 1.00 0.00 C ATOM 1385 C LEU A 89 -1.455 4.256 10.700 1.00 0.00 C ATOM 1386 O LEU A 89 -1.889 3.636 11.674 1.00 0.00 O ATOM 1387 CB LEU A 89 0.135 3.224 9.014 1.00 0.00 C ATOM 1388 CG LEU A 89 0.421 1.940 8.223 1.00 0.00 C ATOM 1389 CD1 LEU A 89 -0.102 0.670 8.878 1.00 0.00 C ATOM 1390 CD2 LEU A 89 -0.098 2.061 6.799 1.00 0.00 C ATOM 0 H LEU A 89 -1.236 4.691 7.606 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.860 2.592 9.407 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.539 4.064 8.448 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.692 3.173 9.950 1.00 0.00 H new ATOM 0 HG LEU A 89 1.506 1.839 8.212 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.143 -0.189 8.253 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.360 0.549 9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.184 0.739 8.993 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.114 1.141 6.255 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.174 2.231 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.393 2.898 6.303 1.00 0.00 H new ATOM 1402 N SER A 90 -1.171 5.557 10.760 1.00 0.00 N ATOM 1403 CA SER A 90 -1.275 6.335 11.984 1.00 0.00 C ATOM 1404 C SER A 90 -2.722 6.452 12.483 1.00 0.00 C ATOM 1405 O SER A 90 -3.005 6.110 13.635 1.00 0.00 O ATOM 1406 CB SER A 90 -0.739 7.748 11.726 1.00 0.00 C ATOM 1407 OG SER A 90 0.622 7.725 11.376 1.00 0.00 O ATOM 0 H SER A 90 -0.861 6.099 9.954 1.00 0.00 H new ATOM 0 HA SER A 90 -0.693 5.819 12.748 1.00 0.00 H new ATOM 0 HB2 SER A 90 -1.314 8.216 10.927 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.876 8.359 12.618 1.00 0.00 H new ATOM 0 HG SER A 90 0.717 7.410 10.453 1.00 0.00 H new ATOM 1413 N THR A 91 -3.625 6.936 11.624 1.00 0.00 N ATOM 1414 CA THR A 91 -5.040 7.178 11.917 1.00 0.00 C ATOM 1415 C THR A 91 -5.960 5.955 11.922 1.00 0.00 C ATOM 1416 O THR A 91 -7.045 6.019 12.496 1.00 0.00 O ATOM 1417 CB THR A 91 -5.578 8.190 10.888 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.428 7.716 9.558 1.00 0.00 O ATOM 1419 CG2 THR A 91 -4.871 9.542 10.965 1.00 0.00 C ATOM 0 H THR A 91 -3.378 7.180 10.665 1.00 0.00 H new ATOM 0 HA THR A 91 -5.058 7.543 12.944 1.00 0.00 H new ATOM 0 HB THR A 91 -6.632 8.312 11.139 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.580 8.040 9.189 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.291 10.215 10.217 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.011 9.970 11.958 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.806 9.407 10.775 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.531 4.839 11.334 1.00 0.00 N ATOM 1428 CA GLN A 92 -6.281 3.583 11.203 1.00 0.00 C ATOM 1429 C GLN A 92 -7.555 3.766 10.347 1.00 0.00 C ATOM 1430 O GLN A 92 -8.520 2.997 10.459 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.478 2.889 12.569 1.00 0.00 C ATOM 1432 CG GLN A 92 -5.157 2.351 13.152 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.598 1.199 12.316 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -5.105 0.084 12.370 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.586 1.447 11.499 1.00 0.00 N ATOM 0 H GLN A 92 -4.604 4.780 10.913 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.683 2.872 10.634 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.921 3.595 13.271 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -7.184 2.066 12.457 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -4.424 3.157 13.197 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -5.322 2.012 14.175 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.175 2.380 11.465 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.218 0.705 10.903 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.555 4.785 9.475 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.662 5.099 8.578 1.00 0.00 C ATOM 1446 C GLN A 93 -8.889 3.917 7.631 1.00 0.00 C ATOM 1447 O GLN A 93 -7.939 3.485 6.970 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.372 6.369 7.766 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.717 7.627 8.567 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.386 8.899 7.798 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -9.219 9.456 7.079 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.159 9.373 7.914 1.00 0.00 N ATOM 0 H GLN A 93 -6.766 5.424 9.377 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.557 5.278 9.174 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -7.319 6.391 7.484 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -8.950 6.353 6.842 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.778 7.619 8.816 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.169 7.619 9.509 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.484 8.899 8.513 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -6.887 10.213 7.404 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.117 3.378 7.545 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.387 2.265 6.663 1.00 0.00 C ATOM 1463 C PRO A 94 -10.477 2.730 5.211 1.00 0.00 C ATOM 1464 O PRO A 94 -10.980 3.813 4.895 1.00 0.00 O ATOM 1465 CB PRO A 94 -11.688 1.637 7.148 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.404 2.787 7.845 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.316 3.777 8.260 1.00 0.00 C ATOM 0 HA PRO A 94 -9.582 1.531 6.688 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.276 1.242 6.319 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.503 0.808 7.831 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.125 3.258 7.177 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.959 2.431 8.713 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.600 4.798 8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.155 3.750 9.338 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.039 1.850 4.319 1.00 0.00 N ATOM 1476 CA LEU A 95 -10.003 2.040 2.879 1.00 0.00 C ATOM 1477 C LEU A 95 -11.410 2.100 2.276 1.00 0.00 C ATOM 1478 O LEU A 95 -11.638 2.887 1.361 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.220 0.877 2.249 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.715 0.855 2.597 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.183 -0.578 2.559 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -6.919 1.697 1.600 1.00 0.00 C ATOM 0 H LEU A 95 -9.681 0.937 4.598 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.516 2.992 2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.668 -0.063 2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.329 0.927 1.166 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.598 1.268 3.599 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.121 -0.579 2.806 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.725 -1.186 3.283 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.323 -0.992 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.861 1.669 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.054 1.296 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.273 2.728 1.630 1.00 0.00 H new ATOM 1494 N THR A 96 -12.347 1.264 2.744 1.00 0.00 N ATOM 1495 CA THR A 96 -13.718 1.225 2.235 1.00 0.00 C ATOM 1496 C THR A 96 -14.688 0.842 3.351 1.00 0.00 C ATOM 1497 O THR A 96 -14.533 -0.195 3.994 1.00 0.00 O ATOM 1498 CB THR A 96 -13.858 0.238 1.053 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.254 -1.014 1.341 1.00 0.00 O ATOM 1500 CG2 THR A 96 -13.290 0.801 -0.256 1.00 0.00 C ATOM 0 H THR A 96 -12.170 0.593 3.491 1.00 0.00 H new ATOM 0 HA THR A 96 -13.963 2.223 1.871 1.00 0.00 H new ATOM 0 HB THR A 96 -14.929 0.089 0.915 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.456 -1.269 2.265 1.00 0.00 H new ATOM 0 HG21 THR A 96 -13.415 0.067 -1.052 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.821 1.716 -0.519 1.00 0.00 H new ATOM 0 HG23 THR A 96 -12.230 1.021 -0.128 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.740 1.635 3.553 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.768 1.418 4.569 1.00 0.00 C ATOM 1510 C LYS A 97 -17.433 0.049 4.393 1.00 0.00 C ATOM 1511 O LYS A 97 -17.630 -0.669 5.371 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.766 2.589 4.491 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.549 2.908 5.770 1.00 0.00 C ATOM 1514 CD LYS A 97 -19.639 1.906 6.157 1.00 0.00 C ATOM 1515 CE LYS A 97 -20.476 2.523 7.283 1.00 0.00 C ATOM 1516 NZ LYS A 97 -21.579 1.639 7.702 1.00 0.00 N ATOM 0 H LYS A 97 -15.905 2.473 2.996 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.329 1.401 5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.219 3.484 4.194 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.482 2.375 3.697 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.842 2.982 6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.009 3.889 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.268 1.677 5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.193 0.967 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.834 2.732 8.139 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.883 3.478 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.119 2.095 8.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -22.207 1.460 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -21.190 0.737 8.045 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.718 -0.360 3.149 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.364 -1.644 2.851 1.00 0.00 C ATOM 1532 C LYS A 98 -17.547 -2.866 3.302 1.00 0.00 C ATOM 1533 O LYS A 98 -18.124 -3.949 3.364 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.711 -1.714 1.348 1.00 0.00 C ATOM 1535 CG LYS A 98 -19.661 -2.857 0.928 1.00 0.00 C ATOM 1536 CD LYS A 98 -21.098 -2.694 1.462 1.00 0.00 C ATOM 1537 CE LYS A 98 -22.051 -3.859 1.134 1.00 0.00 C ATOM 1538 NZ LYS A 98 -22.025 -4.257 -0.291 1.00 0.00 N ATOM 0 H LYS A 98 -17.506 0.193 2.319 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.282 -1.687 3.437 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -19.162 -0.766 1.054 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.783 -1.813 0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.691 -2.912 -0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -19.256 -3.804 1.284 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -21.056 -2.573 2.544 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -21.519 -1.775 1.055 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -21.786 -4.719 1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -23.068 -3.574 1.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.712 -5.021 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -22.273 -3.440 -0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -21.072 -4.590 -0.541 1.00 0.00 H new ATOM 1552 N SER A 99 -16.250 -2.742 3.597 1.00 0.00 N ATOM 1553 CA SER A 99 -15.447 -3.880 4.039 1.00 0.00 C ATOM 1554 C SER A 99 -14.606 -3.564 5.281 1.00 0.00 C ATOM 1555 O SER A 99 -13.946 -4.473 5.783 1.00 0.00 O ATOM 1556 CB SER A 99 -14.626 -4.409 2.852 1.00 0.00 C ATOM 1557 OG SER A 99 -13.953 -5.606 3.211 1.00 0.00 O ATOM 0 H SER A 99 -15.735 -1.863 3.537 1.00 0.00 H new ATOM 0 HA SER A 99 -16.112 -4.679 4.369 1.00 0.00 H new ATOM 0 HB2 SER A 99 -15.282 -4.594 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.902 -3.657 2.538 1.00 0.00 H new ATOM 0 HG SER A 99 -13.761 -5.598 4.172 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.597 -2.319 5.766 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.862 -1.864 6.938 1.00 0.00 C ATOM 1565 C GLY A 100 -12.365 -2.178 6.940 1.00 0.00 C ATOM 1566 O GLY A 100 -11.780 -2.158 8.016 1.00 0.00 O ATOM 0 H GLY A 100 -15.130 -1.568 5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.989 -0.785 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.311 -2.314 7.824 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.748 -2.456 5.788 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.335 -2.802 5.642 1.00 0.00 C ATOM 1572 C VAL A 101 -9.425 -1.685 6.147 1.00 0.00 C ATOM 1573 O VAL A 101 -9.573 -0.549 5.708 1.00 0.00 O ATOM 1574 CB VAL A 101 -10.026 -3.152 4.172 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.667 -3.841 4.015 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -11.087 -4.074 3.557 1.00 0.00 C ATOM 0 H VAL A 101 -12.242 -2.445 4.896 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.134 -3.678 6.259 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.021 -2.195 3.650 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.494 -4.068 2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.880 -3.180 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.659 -4.766 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.824 -4.291 2.522 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -11.132 -5.005 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -12.059 -3.582 3.589 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.476 -2.008 7.027 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.508 -1.082 7.615 1.00 0.00 C ATOM 1588 C VAL A 102 -6.105 -1.632 7.365 1.00 0.00 C ATOM 1589 O VAL A 102 -5.940 -2.830 7.119 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.764 -0.932 9.135 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.901 0.161 9.774 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.221 -0.587 9.435 1.00 0.00 C ATOM 0 H VAL A 102 -8.356 -2.963 7.364 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.609 -0.097 7.158 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.504 -1.902 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.122 0.222 10.840 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.847 -0.080 9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.119 1.119 9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.358 -0.491 10.512 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.479 0.355 8.951 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.868 -1.379 9.056 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.097 -0.761 7.390 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.697 -1.107 7.202 1.00 0.00 C ATOM 1604 C LEU A 103 -3.174 -1.389 8.598 1.00 0.00 C ATOM 1605 O LEU A 103 -3.170 -0.492 9.437 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.905 0.012 6.496 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.202 0.135 4.982 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.609 0.683 4.715 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.224 1.085 4.282 1.00 0.00 C ATOM 0 H LEU A 103 -5.242 0.236 7.547 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.581 -1.970 6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.131 0.963 6.978 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.839 -0.170 6.633 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.103 -0.877 4.590 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.774 0.753 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.349 0.014 5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.705 1.673 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.468 1.142 3.221 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.300 2.078 4.726 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.207 0.712 4.400 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.847 -2.648 8.883 1.00 0.00 N ATOM 1622 CA HIS A 104 -2.313 -3.035 10.184 1.00 0.00 C ATOM 1623 C HIS A 104 -0.790 -2.898 10.108 1.00 0.00 C ATOM 1624 O HIS A 104 -0.174 -2.322 11.002 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.747 -4.461 10.562 1.00 0.00 C ATOM 1626 CG HIS A 104 -4.197 -4.612 10.976 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.637 -5.240 12.124 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -5.314 -4.232 10.276 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.977 -5.220 12.122 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -6.439 -4.587 11.027 1.00 0.00 N ATOM 0 H HIS A 104 -2.944 -3.421 8.224 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.704 -2.389 10.970 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.560 -5.117 9.712 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -2.115 -4.810 11.379 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -5.323 -3.744 9.313 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.600 -5.652 12.892 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -7.414 -4.403 10.792 1.00 0.00 H new ATOM 1638 N ARG A 105 -0.168 -3.431 9.050 1.00 0.00 N ATOM 1639 CA ARG A 105 1.270 -3.396 8.778 1.00 0.00 C ATOM 1640 C ARG A 105 1.450 -3.812 7.324 1.00 0.00 C ATOM 1641 O ARG A 105 0.567 -4.475 6.781 1.00 0.00 O ATOM 1642 CB ARG A 105 2.024 -4.385 9.692 1.00 0.00 C ATOM 1643 CG ARG A 105 3.553 -4.247 9.646 1.00 0.00 C ATOM 1644 CD ARG A 105 4.267 -5.359 10.416 1.00 0.00 C ATOM 1645 NE ARG A 105 4.083 -5.254 11.870 1.00 0.00 N ATOM 1646 CZ ARG A 105 4.911 -5.786 12.774 1.00 0.00 C ATOM 1647 NH1 ARG A 105 5.916 -6.576 12.403 1.00 0.00 N ATOM 1648 NH2 ARG A 105 4.745 -5.511 14.059 1.00 0.00 N ATOM 0 H ARG A 105 -0.684 -3.925 8.322 1.00 0.00 H new ATOM 0 HA ARG A 105 1.669 -2.399 8.966 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.688 -4.241 10.719 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.754 -5.402 9.408 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.884 -4.259 8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.840 -3.281 10.061 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.896 -6.326 10.076 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.332 -5.328 10.186 1.00 0.00 H new ATOM 0 HE ARG A 105 3.270 -4.741 12.212 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.064 -6.784 11.415 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.539 -6.974 13.106 1.00 0.00 H new ATOM 0 HH21 ARG A 105 3.988 -4.895 14.355 1.00 0.00 H new ATOM 0 HH22 ARG A 105 5.375 -5.915 14.752 1.00 0.00 H new ATOM 1662 N ALA A 106 2.528 -3.395 6.674 1.00 0.00 N ATOM 1663 CA ALA A 106 2.801 -3.775 5.298 1.00 0.00 C ATOM 1664 C ALA A 106 3.589 -5.075 5.317 1.00 0.00 C ATOM 1665 O ALA A 106 3.841 -5.651 6.378 1.00 0.00 O ATOM 1666 CB ALA A 106 3.572 -2.657 4.587 1.00 0.00 C ATOM 0 H ALA A 106 3.235 -2.786 7.086 1.00 0.00 H new ATOM 0 HA ALA A 106 1.873 -3.926 4.746 1.00 0.00 H new ATOM 0 HB1 ALA A 106 3.772 -2.951 3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 106 2.978 -1.743 4.595 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.516 -2.480 5.103 1.00 0.00 H new ATOM 1672 N VAL A 107 3.979 -5.548 4.142 1.00 0.00 N ATOM 1673 CA VAL A 107 4.766 -6.758 3.992 1.00 0.00 C ATOM 1674 C VAL A 107 6.067 -6.290 3.317 1.00 0.00 C ATOM 1675 O VAL A 107 6.005 -5.457 2.413 1.00 0.00 O ATOM 1676 CB VAL A 107 3.950 -7.832 3.246 1.00 0.00 C ATOM 1677 CG1 VAL A 107 2.531 -7.994 3.813 1.00 0.00 C ATOM 1678 CG2 VAL A 107 3.901 -7.614 1.739 1.00 0.00 C ATOM 0 H VAL A 107 3.754 -5.095 3.257 1.00 0.00 H new ATOM 0 HA VAL A 107 5.023 -7.260 4.925 1.00 0.00 H new ATOM 0 HB VAL A 107 4.490 -8.763 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.000 -8.763 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.589 -8.286 4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 107 1.995 -7.048 3.729 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.311 -8.405 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.443 -6.648 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.913 -7.633 1.336 1.00 0.00 H new ATOM 1688 N PRO A 108 7.258 -6.663 3.801 1.00 0.00 N ATOM 1689 CA PRO A 108 8.517 -6.243 3.188 1.00 0.00 C ATOM 1690 C PRO A 108 8.884 -7.138 1.992 1.00 0.00 C ATOM 1691 O PRO A 108 8.334 -8.233 1.868 1.00 0.00 O ATOM 1692 CB PRO A 108 9.523 -6.413 4.318 1.00 0.00 C ATOM 1693 CG PRO A 108 9.003 -7.621 5.101 1.00 0.00 C ATOM 1694 CD PRO A 108 7.494 -7.610 4.877 1.00 0.00 C ATOM 0 HA PRO A 108 8.478 -5.229 2.791 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.528 -6.589 3.934 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.573 -5.523 4.945 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.450 -8.548 4.741 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.246 -7.540 6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.132 -8.603 4.610 1.00 0.00 H new ATOM 0 HD3 PRO A 108 6.967 -7.311 5.783 1.00 0.00 H new ATOM 1702 N SER A 109 9.846 -6.721 1.159 1.00 0.00 N ATOM 1703 CA SER A 109 10.303 -7.484 -0.005 1.00 0.00 C ATOM 1704 C SER A 109 11.625 -8.206 0.314 1.00 0.00 C ATOM 1705 O SER A 109 11.845 -9.339 -0.121 1.00 0.00 O ATOM 1706 CB SER A 109 10.382 -6.576 -1.233 1.00 0.00 C ATOM 1707 OG SER A 109 10.329 -7.349 -2.412 1.00 0.00 O ATOM 0 H SER A 109 10.334 -5.833 1.278 1.00 0.00 H new ATOM 0 HA SER A 109 9.580 -8.264 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.559 -5.862 -1.220 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.306 -5.998 -1.209 1.00 0.00 H new ATOM 0 HG SER A 109 9.400 -7.603 -2.595 1.00 0.00 H new