USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 957 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: B 562 LYS NZ :NH3+ -113:sc= 0.295 (180deg=-1.02) USER MOD Set 1.2: B 566 SER OG : rot 80:sc= 1.62 USER MOD Set 2.1: A 45 TYR OH : rot 113:sc= 1.5 USER MOD Set 2.2: A 135 LYS NZ :NH3+ 156:sc= 2.07 (180deg=0.819) USER MOD Set 3.1: A 97 MET CE :methyl 148:sc= -1.8 (180deg=-0.0863) USER MOD Set 3.2: A 100 GLN : amide:sc= -7.21! C(o=-9!,f=-5!) USER MOD Set 4.1: A 73 LYS NZ :NH3+ 134:sc= 1.16 (180deg=0) USER MOD Set 4.2: A 88 ASN : amide:sc= 0.54 K(o=1.7,f=-8.4!) USER MOD Set 5.1: A 57 ASN : amide:sc= -0.866 K(o=-1.8,f=-13!) USER MOD Set 5.2: A 60 ASN : amide:sc= 0.56 K(o=-1.8,f=-7.4!) USER MOD Set 5.3: A 62 SER OG : rot -98:sc= 1.17 USER MOD Set 5.4: A 64 ASN : amide:sc= -2.67! C(o=-1.8!,f=-7.8!) USER MOD Set 6.1: A 55 SER OG : rot -60:sc= 0.872 USER MOD Set 6.2: A 66 TYR OH : rot 45:sc= 0.975 USER MOD Single : A 34 LYS NZ :NH3+ 155:sc= 0.162 (180deg=0.0247) USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.069 USER MOD Single : A 43 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0922) USER MOD Single : A 47 SER OG : rot 124:sc= 0.38 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0262 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -170:sc= -2.75! USER MOD Single : A 68 LYS NZ :NH3+ 173:sc= 1.28 (180deg=1.22) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 80:sc= -0.0106 USER MOD Single : A 77 SER OG : rot 180:sc= -0.504 USER MOD Single : A 79 ASN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 82 LYS NZ :NH3+ 159:sc= 0.555 (180deg=-0.139) USER MOD Single : A 84 MET CE :methyl 162:sc= -0.0174 (180deg=-1.06) USER MOD Single : A 86 ASN : amide:sc= -3.32! K(o=-3.3!,f=-0.19) USER MOD Single : A 90 LYS NZ :NH3+ -164:sc= -0.0611 (180deg=-0.324) USER MOD Single : A 101 LYS NZ :NH3+ -131:sc= 0.164 (180deg=-0.122) USER MOD Single : A 106 LYS NZ :NH3+ 142:sc= 1.84 (180deg=0.941) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -179:sc= -6.67! (180deg=-6.79!) USER MOD Single : A 112 LYS NZ :NH3+ -132:sc= -0.338 (180deg=-1.96!) USER MOD Single : A 118 LYS NZ :NH3+ 178:sc= 1.01 (180deg=1) USER MOD Single : A 125 THR OG1 : rot 35:sc= 0.0775 USER MOD Single : A 130 LYS NZ :NH3+ -123:sc= 1.07 (180deg=-3.56!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 555 THR OG1 : rot -162:sc= 0.0793 USER MOD Single : B 556 THR OG1 : rot -93:sc= 0.422 USER MOD Single : B 563 SER OG : rot 131:sc= 0.988 USER MOD Single : B 567 TYR OH : rot 180:sc= 0 USER MOD Single : B 569 ASN : amide:sc= -3.74! K(o=-3.7!,f=-1) USER MOD Single : B 570 TYR OH : rot -24:sc= 0.055 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -2.189 5.508 10.443 1.00 0.62 N ATOM 77 CA LYS A 34 -2.251 4.086 10.460 1.00 0.54 C ATOM 78 C LYS A 34 -0.966 3.486 9.891 1.00 0.43 C ATOM 79 O LYS A 34 -0.674 3.635 8.701 1.00 0.53 O ATOM 80 CB LYS A 34 -3.469 3.686 9.643 1.00 0.66 C ATOM 81 CG LYS A 34 -4.528 3.011 10.478 1.00 0.83 C ATOM 82 CD LYS A 34 -5.311 3.980 11.349 1.00 0.84 C ATOM 83 CE LYS A 34 -6.273 3.217 12.250 1.00 0.90 C ATOM 84 NZ LYS A 34 -7.117 4.112 13.087 1.00 1.23 N ATOM 0 HA LYS A 34 -2.343 3.707 11.478 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -3.893 4.572 9.171 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -3.160 3.015 8.841 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -5.219 2.484 9.820 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -4.057 2.261 11.113 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -4.625 4.571 11.955 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -5.865 4.678 10.722 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -6.918 2.589 11.635 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -5.704 2.551 12.899 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -7.997 3.620 13.343 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -6.600 4.368 13.952 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -7.345 4.974 12.552 1.00 1.23 H new ATOM 98 N GLU A 35 -0.200 2.826 10.751 1.00 0.43 N ATOM 99 CA GLU A 35 1.089 2.265 10.361 1.00 0.48 C ATOM 100 C GLU A 35 0.905 0.929 9.655 1.00 0.40 C ATOM 101 O GLU A 35 0.747 -0.109 10.299 1.00 0.55 O ATOM 102 CB GLU A 35 1.975 2.064 11.594 1.00 0.75 C ATOM 103 CG GLU A 35 2.258 3.332 12.379 1.00 1.06 C ATOM 104 CD GLU A 35 3.158 4.297 11.645 1.00 1.35 C ATOM 105 OE1 GLU A 35 2.651 5.128 10.870 1.00 1.86 O ATOM 106 OE2 GLU A 35 4.387 4.244 11.869 1.00 1.83 O ATOM 0 H GLU A 35 -0.450 2.665 11.727 1.00 0.43 H new ATOM 0 HA GLU A 35 1.567 2.966 9.677 1.00 0.48 H new ATOM 0 HB2 GLU A 35 1.497 1.341 12.255 1.00 0.75 H new ATOM 0 HB3 GLU A 35 2.923 1.628 11.278 1.00 0.75 H new ATOM 0 HG2 GLU A 35 1.315 3.828 12.609 1.00 1.06 H new ATOM 0 HG3 GLU A 35 2.719 3.067 13.331 1.00 1.06 H new ATOM 113 N TRP A 36 0.932 0.952 8.334 1.00 0.28 N ATOM 114 CA TRP A 36 0.839 -0.274 7.558 1.00 0.25 C ATOM 115 C TRP A 36 2.235 -0.729 7.132 1.00 0.26 C ATOM 116 O TRP A 36 2.991 0.030 6.524 1.00 0.40 O ATOM 117 CB TRP A 36 -0.052 -0.079 6.327 1.00 0.26 C ATOM 118 CG TRP A 36 -1.427 0.448 6.634 1.00 0.19 C ATOM 119 CD1 TRP A 36 -1.955 1.631 6.209 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.447 -0.179 7.429 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.246 1.768 6.670 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.564 0.678 7.422 1.00 0.27 C ATOM 123 CE3 TRP A 36 -2.530 -1.378 8.142 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.745 0.379 8.096 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -3.706 -1.674 8.811 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.799 -0.800 8.782 1.00 1.19 C ATOM 0 H TRP A 36 1.017 1.802 7.777 1.00 0.28 H new ATOM 0 HA TRP A 36 0.387 -1.043 8.185 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.443 0.608 5.640 1.00 0.26 H new ATOM 0 HB3 TRP A 36 -0.149 -1.033 5.809 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.436 2.356 5.599 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -3.863 2.557 6.479 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -1.693 -2.060 8.171 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.587 1.055 8.077 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -3.781 -2.597 9.366 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -5.702 -1.063 9.312 1.00 1.19 H new ATOM 137 N HIS A 37 2.581 -1.967 7.467 1.00 0.25 N ATOM 138 CA HIS A 37 3.894 -2.519 7.124 1.00 0.25 C ATOM 139 C HIS A 37 3.826 -3.254 5.791 1.00 0.24 C ATOM 140 O HIS A 37 3.186 -4.293 5.693 1.00 0.30 O ATOM 141 CB HIS A 37 4.388 -3.481 8.215 1.00 0.29 C ATOM 142 CG HIS A 37 4.697 -2.822 9.526 1.00 0.34 C ATOM 143 ND1 HIS A 37 5.983 -2.598 9.971 1.00 0.61 N ATOM 144 CD2 HIS A 37 3.880 -2.345 10.494 1.00 0.68 C ATOM 145 CE1 HIS A 37 5.943 -2.016 11.155 1.00 0.51 C ATOM 146 NE2 HIS A 37 4.679 -1.849 11.496 1.00 0.56 N ATOM 0 H HIS A 37 1.974 -2.610 7.975 1.00 0.25 H new ATOM 0 HA HIS A 37 4.596 -1.689 7.045 1.00 0.25 H new ATOM 0 HB2 HIS A 37 3.630 -4.248 8.377 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.284 -3.989 7.857 1.00 0.29 H new ATOM 0 HD2 HIS A 37 2.800 -2.353 10.481 1.00 0.68 H new ATOM 0 HE1 HIS A 37 6.800 -1.726 11.745 1.00 0.51 H new ATOM 0 HE2 HIS A 37 4.349 -1.422 12.362 1.00 0.56 H new ATOM 155 N ILE A 38 4.480 -2.725 4.772 1.00 0.20 N ATOM 156 CA ILE A 38 4.379 -3.307 3.438 1.00 0.20 C ATOM 157 C ILE A 38 5.146 -4.627 3.337 1.00 0.21 C ATOM 158 O ILE A 38 6.337 -4.696 3.636 1.00 0.27 O ATOM 159 CB ILE A 38 4.876 -2.335 2.358 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.188 -0.987 2.517 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.576 -2.888 0.985 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.780 0.103 1.655 1.00 0.20 C ATOM 0 H ILE A 38 5.081 -1.903 4.837 1.00 0.20 H new ATOM 0 HA ILE A 38 3.321 -3.507 3.266 1.00 0.20 H new ATOM 0 HB ILE A 38 5.953 -2.210 2.470 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.131 -1.097 2.273 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.243 -0.682 3.562 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.932 -2.191 0.226 1.00 0.21 H new ATOM 0 HG22 ILE A 38 5.078 -3.847 0.861 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.500 -3.025 0.875 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.238 1.034 1.822 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.829 0.242 1.914 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.700 -0.180 0.605 1.00 0.20 H new ATOM 174 N VAL A 39 4.433 -5.662 2.918 1.00 0.19 N ATOM 175 CA VAL A 39 4.980 -7.009 2.792 1.00 0.18 C ATOM 176 C VAL A 39 5.072 -7.422 1.331 1.00 0.16 C ATOM 177 O VAL A 39 4.124 -7.244 0.586 1.00 0.18 O ATOM 178 CB VAL A 39 4.081 -8.035 3.510 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.595 -9.450 3.314 1.00 0.23 C ATOM 180 CG2 VAL A 39 3.949 -7.704 4.976 1.00 0.26 C ATOM 0 H VAL A 39 3.450 -5.592 2.653 1.00 0.19 H new ATOM 0 HA VAL A 39 5.972 -6.993 3.243 1.00 0.18 H new ATOM 0 HB VAL A 39 3.089 -7.979 3.062 1.00 0.20 H new ATOM 0 HG11 VAL A 39 3.940 -10.150 3.832 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.611 -9.687 2.250 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.604 -9.530 3.719 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.310 -8.443 5.460 1.00 0.26 H new ATOM 0 HG22 VAL A 39 4.934 -7.716 5.442 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.507 -6.714 5.087 1.00 0.26 H new ATOM 190 N PRO A 40 6.206 -7.975 0.898 1.00 0.14 N ATOM 191 CA PRO A 40 6.347 -8.525 -0.441 1.00 0.14 C ATOM 192 C PRO A 40 5.878 -9.979 -0.515 1.00 0.16 C ATOM 193 O PRO A 40 6.358 -10.837 0.227 1.00 0.28 O ATOM 194 CB PRO A 40 7.851 -8.433 -0.709 1.00 0.17 C ATOM 195 CG PRO A 40 8.480 -7.919 0.554 1.00 0.15 C ATOM 196 CD PRO A 40 7.457 -8.090 1.642 1.00 0.14 C ATOM 0 HA PRO A 40 5.741 -7.989 -1.171 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.258 -9.409 -0.975 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.056 -7.763 -1.544 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.390 -8.472 0.787 1.00 0.15 H new ATOM 0 HG3 PRO A 40 8.762 -6.871 0.448 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.548 -9.055 2.141 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.547 -7.323 2.412 1.00 0.14 H new ATOM 204 N VAL A 41 4.931 -10.245 -1.405 1.00 0.14 N ATOM 205 CA VAL A 41 4.401 -11.592 -1.582 1.00 0.16 C ATOM 206 C VAL A 41 5.130 -12.317 -2.714 1.00 0.18 C ATOM 207 O VAL A 41 5.630 -13.430 -2.541 1.00 0.23 O ATOM 208 CB VAL A 41 2.890 -11.581 -1.914 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.341 -12.998 -1.951 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.092 -10.731 -0.932 1.00 0.20 C ATOM 0 H VAL A 41 4.513 -9.545 -2.017 1.00 0.14 H new ATOM 0 HA VAL A 41 4.556 -12.110 -0.636 1.00 0.16 H new ATOM 0 HB VAL A 41 2.781 -11.130 -2.900 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.277 -12.970 -2.186 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.866 -13.572 -2.715 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.486 -13.470 -0.979 1.00 0.21 H new ATOM 0 HG21 VAL A 41 1.037 -10.753 -1.205 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.214 -11.128 0.076 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.453 -9.703 -0.964 1.00 0.20 H new ATOM 220 N SER A 42 5.184 -11.674 -3.873 1.00 0.19 N ATOM 221 CA SER A 42 5.758 -12.284 -5.063 1.00 0.25 C ATOM 222 C SER A 42 7.275 -12.159 -5.062 1.00 0.24 C ATOM 223 O SER A 42 7.855 -11.308 -4.384 1.00 0.35 O ATOM 224 CB SER A 42 5.167 -11.648 -6.327 1.00 0.34 C ATOM 225 OG SER A 42 5.684 -12.246 -7.505 1.00 1.08 O ATOM 0 H SER A 42 4.835 -10.726 -4.014 1.00 0.19 H new ATOM 0 HA SER A 42 5.507 -13.345 -5.056 1.00 0.25 H new ATOM 0 HB2 SER A 42 4.082 -11.750 -6.313 1.00 0.34 H new ATOM 0 HB3 SER A 42 5.386 -10.580 -6.334 1.00 0.34 H new ATOM 0 HG SER A 42 5.285 -11.818 -8.291 1.00 1.08 H new ATOM 231 N LYS A 43 7.894 -13.019 -5.855 1.00 0.28 N ATOM 232 CA LYS A 43 9.339 -13.197 -5.871 1.00 0.31 C ATOM 233 C LYS A 43 10.039 -11.979 -6.436 1.00 0.26 C ATOM 234 O LYS A 43 11.192 -11.705 -6.116 1.00 0.32 O ATOM 235 CB LYS A 43 9.672 -14.426 -6.709 1.00 0.42 C ATOM 236 CG LYS A 43 8.794 -15.611 -6.364 1.00 1.02 C ATOM 237 CD LYS A 43 8.024 -16.119 -7.573 1.00 1.41 C ATOM 238 CE LYS A 43 7.181 -17.335 -7.220 1.00 2.09 C ATOM 239 NZ LYS A 43 6.095 -17.006 -6.257 1.00 2.95 N ATOM 0 H LYS A 43 7.401 -13.621 -6.515 1.00 0.28 H new ATOM 0 HA LYS A 43 9.689 -13.332 -4.848 1.00 0.31 H new ATOM 0 HB2 LYS A 43 9.555 -14.185 -7.766 1.00 0.42 H new ATOM 0 HB3 LYS A 43 10.717 -14.695 -6.557 1.00 0.42 H new ATOM 0 HG2 LYS A 43 9.411 -16.415 -5.963 1.00 1.02 H new ATOM 0 HG3 LYS A 43 8.092 -15.326 -5.580 1.00 1.02 H new ATOM 0 HD2 LYS A 43 7.381 -15.327 -7.956 1.00 1.41 H new ATOM 0 HD3 LYS A 43 8.722 -16.376 -8.370 1.00 1.41 H new ATOM 0 HE2 LYS A 43 6.745 -17.749 -8.129 1.00 2.09 H new ATOM 0 HE3 LYS A 43 7.821 -18.107 -6.793 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 5.456 -17.821 -6.162 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 6.509 -16.781 -5.330 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 5.559 -16.185 -6.605 1.00 2.95 H new ATOM 253 N ASP A 44 9.327 -11.252 -7.272 1.00 0.23 N ATOM 254 CA ASP A 44 9.864 -10.057 -7.909 1.00 0.21 C ATOM 255 C ASP A 44 9.998 -8.915 -6.902 1.00 0.17 C ATOM 256 O ASP A 44 10.707 -7.941 -7.147 1.00 0.18 O ATOM 257 CB ASP A 44 8.948 -9.620 -9.051 1.00 0.25 C ATOM 258 CG ASP A 44 9.694 -9.073 -10.247 1.00 0.39 C ATOM 259 OD1 ASP A 44 10.940 -9.035 -10.190 1.00 0.44 O ATOM 260 OD2 ASP A 44 9.047 -8.675 -11.241 1.00 0.97 O ATOM 0 H ASP A 44 8.364 -11.467 -7.531 1.00 0.23 H new ATOM 0 HA ASP A 44 10.853 -10.296 -8.300 1.00 0.21 H new ATOM 0 HB2 ASP A 44 8.344 -10.470 -9.367 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.260 -8.859 -8.683 1.00 0.25 H new ATOM 265 N TYR A 45 9.303 -9.035 -5.774 1.00 0.15 N ATOM 266 CA TYR A 45 9.276 -7.969 -4.775 1.00 0.13 C ATOM 267 C TYR A 45 9.977 -8.388 -3.497 1.00 0.15 C ATOM 268 O TYR A 45 10.002 -7.638 -2.535 1.00 0.15 O ATOM 269 CB TYR A 45 7.836 -7.552 -4.450 1.00 0.12 C ATOM 270 CG TYR A 45 7.059 -7.065 -5.647 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.627 -7.959 -6.615 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.754 -5.719 -5.806 1.00 0.21 C ATOM 273 CE1 TYR A 45 5.918 -7.535 -7.715 1.00 0.29 C ATOM 274 CE2 TYR A 45 6.036 -5.284 -6.910 1.00 0.25 C ATOM 275 CZ TYR A 45 5.623 -6.200 -7.862 1.00 0.27 C ATOM 276 OH TYR A 45 4.909 -5.785 -8.963 1.00 0.35 O ATOM 0 H TYR A 45 8.752 -9.858 -5.529 1.00 0.15 H new ATOM 0 HA TYR A 45 9.806 -7.119 -5.204 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.313 -8.400 -4.009 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.857 -6.764 -3.697 1.00 0.12 H new ATOM 0 HD1 TYR A 45 6.852 -9.009 -6.503 1.00 0.23 H new ATOM 0 HD2 TYR A 45 7.079 -5.005 -5.063 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.595 -8.247 -8.460 1.00 0.29 H new ATOM 0 HE2 TYR A 45 5.800 -4.236 -7.026 1.00 0.25 H new ATOM 0 HH TYR A 45 4.028 -5.464 -8.679 1.00 0.35 H new ATOM 286 N PHE A 46 10.569 -9.570 -3.476 1.00 0.19 N ATOM 287 CA PHE A 46 11.258 -10.027 -2.274 1.00 0.23 C ATOM 288 C PHE A 46 12.430 -9.115 -1.919 1.00 0.22 C ATOM 289 O PHE A 46 12.971 -9.192 -0.816 1.00 0.26 O ATOM 290 CB PHE A 46 11.725 -11.474 -2.409 1.00 0.28 C ATOM 291 CG PHE A 46 10.653 -12.478 -2.086 1.00 0.36 C ATOM 292 CD1 PHE A 46 9.818 -12.288 -0.994 1.00 0.68 C ATOM 293 CD2 PHE A 46 10.486 -13.612 -2.861 1.00 0.68 C ATOM 294 CE1 PHE A 46 8.837 -13.210 -0.686 1.00 0.74 C ATOM 295 CE2 PHE A 46 9.506 -14.538 -2.558 1.00 0.76 C ATOM 296 CZ PHE A 46 8.680 -14.337 -1.469 1.00 0.57 C ATOM 0 H PHE A 46 10.589 -10.222 -4.260 1.00 0.19 H new ATOM 0 HA PHE A 46 10.537 -9.982 -1.458 1.00 0.23 H new ATOM 0 HB2 PHE A 46 12.075 -11.642 -3.427 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.576 -11.637 -1.748 1.00 0.28 H new ATOM 0 HD1 PHE A 46 9.937 -11.409 -0.378 1.00 0.68 H new ATOM 0 HD2 PHE A 46 11.129 -13.775 -3.713 1.00 0.68 H new ATOM 0 HE1 PHE A 46 8.193 -13.050 0.166 1.00 0.74 H new ATOM 0 HE2 PHE A 46 9.386 -15.418 -3.172 1.00 0.76 H new ATOM 0 HZ PHE A 46 7.913 -15.059 -1.230 1.00 0.57 H new ATOM 306 N SER A 47 12.803 -8.240 -2.846 1.00 0.19 N ATOM 307 CA SER A 47 13.913 -7.347 -2.642 1.00 0.23 C ATOM 308 C SER A 47 13.472 -6.013 -2.033 1.00 0.17 C ATOM 309 O SER A 47 14.305 -5.148 -1.813 1.00 0.20 O ATOM 310 CB SER A 47 14.611 -7.112 -3.979 1.00 0.31 C ATOM 311 OG SER A 47 13.691 -6.673 -4.969 1.00 1.19 O ATOM 0 H SER A 47 12.342 -8.138 -3.750 1.00 0.19 H new ATOM 0 HA SER A 47 14.601 -7.809 -1.934 1.00 0.23 H new ATOM 0 HB2 SER A 47 15.398 -6.368 -3.855 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.091 -8.033 -4.308 1.00 0.31 H new ATOM 0 HG SER A 47 13.997 -5.822 -5.346 1.00 1.19 H new ATOM 317 N ILE A 48 12.171 -5.844 -1.769 1.00 0.17 N ATOM 318 CA ILE A 48 11.661 -4.585 -1.207 1.00 0.15 C ATOM 319 C ILE A 48 12.409 -4.243 0.095 1.00 0.17 C ATOM 320 O ILE A 48 12.701 -5.136 0.891 1.00 0.20 O ATOM 321 CB ILE A 48 10.122 -4.641 -0.966 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.379 -4.916 -2.282 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.612 -3.354 -0.345 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.259 -3.944 -2.599 1.00 0.21 C ATOM 0 H ILE A 48 11.458 -6.554 -1.933 1.00 0.17 H new ATOM 0 HA ILE A 48 11.843 -3.795 -1.935 1.00 0.15 H new ATOM 0 HB ILE A 48 9.928 -5.457 -0.270 1.00 0.17 H new ATOM 0 HG12 ILE A 48 10.099 -4.897 -3.100 1.00 0.18 H new ATOM 0 HG13 ILE A 48 8.966 -5.924 -2.245 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.535 -3.426 -0.190 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.106 -3.191 0.613 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.827 -2.518 -1.011 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.795 -4.220 -3.546 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.512 -3.978 -1.806 1.00 0.21 H new ATOM 0 HD13 ILE A 48 8.664 -2.935 -2.674 1.00 0.21 H new ATOM 336 N PRO A 49 12.759 -2.944 0.280 1.00 0.16 N ATOM 337 CA PRO A 49 13.654 -2.447 1.338 1.00 0.19 C ATOM 338 C PRO A 49 13.461 -2.976 2.757 1.00 0.15 C ATOM 339 O PRO A 49 12.542 -3.739 3.059 1.00 0.21 O ATOM 340 CB PRO A 49 13.412 -0.936 1.372 1.00 0.26 C ATOM 341 CG PRO A 49 12.410 -0.648 0.324 1.00 0.17 C ATOM 342 CD PRO A 49 12.348 -1.839 -0.586 1.00 0.16 C ATOM 0 HA PRO A 49 14.656 -2.787 1.076 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.050 -0.623 2.351 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.337 -0.391 1.185 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.434 -0.456 0.770 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.687 0.246 -0.234 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.344 -1.991 -0.983 1.00 0.16 H new ATOM 0 HD3 PRO A 49 13.015 -1.728 -1.441 1.00 0.16 H new ATOM 350 N ASN A 50 14.342 -2.485 3.626 1.00 0.17 N ATOM 351 CA ASN A 50 14.400 -2.882 5.024 1.00 0.22 C ATOM 352 C ASN A 50 13.041 -2.708 5.704 1.00 0.22 C ATOM 353 O ASN A 50 12.466 -3.674 6.216 1.00 0.34 O ATOM 354 CB ASN A 50 15.463 -2.038 5.745 1.00 0.35 C ATOM 355 CG ASN A 50 15.920 -2.671 7.047 1.00 0.58 C ATOM 356 OD1 ASN A 50 15.318 -2.464 8.098 1.00 1.23 O ATOM 357 ND2 ASN A 50 17.000 -3.436 6.992 1.00 0.83 N ATOM 0 H ASN A 50 15.044 -1.790 3.371 1.00 0.17 H new ATOM 0 HA ASN A 50 14.667 -3.937 5.078 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.323 -1.903 5.088 1.00 0.35 H new ATOM 0 HB3 ASN A 50 15.059 -1.046 5.949 1.00 0.35 H new ATOM 0 HD21 ASN A 50 17.357 -3.876 7.840 1.00 0.83 H new ATOM 0 HD22 ASN A 50 17.474 -3.586 6.101 1.00 0.83 H new ATOM 364 N ASP A 51 12.518 -1.482 5.683 1.00 0.24 N ATOM 365 CA ASP A 51 11.256 -1.182 6.347 1.00 0.34 C ATOM 366 C ASP A 51 10.590 0.060 5.748 1.00 0.27 C ATOM 367 O ASP A 51 10.962 1.199 6.029 1.00 0.36 O ATOM 368 CB ASP A 51 11.445 -1.034 7.875 1.00 0.51 C ATOM 369 CG ASP A 51 12.236 0.195 8.306 1.00 1.20 C ATOM 370 OD1 ASP A 51 13.366 0.393 7.813 1.00 1.90 O ATOM 371 OD2 ASP A 51 11.725 0.967 9.158 1.00 1.23 O ATOM 0 H ASP A 51 12.949 -0.685 5.214 1.00 0.24 H new ATOM 0 HA ASP A 51 10.589 -2.027 6.177 1.00 0.34 H new ATOM 0 HB2 ASP A 51 10.463 -1.000 8.347 1.00 0.51 H new ATOM 0 HB3 ASP A 51 11.949 -1.924 8.252 1.00 0.51 H new ATOM 376 N LEU A 52 9.620 -0.181 4.881 1.00 0.22 N ATOM 377 CA LEU A 52 8.784 0.884 4.341 1.00 0.17 C ATOM 378 C LEU A 52 7.532 1.038 5.189 1.00 0.19 C ATOM 379 O LEU A 52 6.921 0.043 5.591 1.00 0.25 O ATOM 380 CB LEU A 52 8.368 0.588 2.897 1.00 0.18 C ATOM 381 CG LEU A 52 9.505 0.518 1.881 1.00 0.14 C ATOM 382 CD1 LEU A 52 8.984 0.037 0.539 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.183 1.872 1.730 1.00 0.15 C ATOM 0 H LEU A 52 9.389 -1.112 4.533 1.00 0.22 H new ATOM 0 HA LEU A 52 9.368 1.804 4.357 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.832 -0.361 2.880 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.665 1.357 2.576 1.00 0.18 H new ATOM 0 HG LEU A 52 10.245 -0.194 2.247 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.806 -0.008 -0.176 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.547 -0.955 0.653 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.224 0.728 0.175 1.00 0.17 H new ATOM 0 HD21 LEU A 52 10.989 1.796 1.001 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.454 2.608 1.390 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.591 2.184 2.691 1.00 0.15 H new ATOM 395 N LEU A 53 7.147 2.273 5.460 1.00 0.16 N ATOM 396 CA LEU A 53 5.928 2.527 6.217 1.00 0.18 C ATOM 397 C LEU A 53 4.860 3.153 5.333 1.00 0.17 C ATOM 398 O LEU A 53 5.039 4.243 4.785 1.00 0.17 O ATOM 399 CB LEU A 53 6.194 3.421 7.432 1.00 0.21 C ATOM 400 CG LEU A 53 7.013 2.776 8.554 1.00 0.26 C ATOM 401 CD1 LEU A 53 7.072 3.695 9.765 1.00 0.32 C ATOM 402 CD2 LEU A 53 6.424 1.428 8.940 1.00 0.30 C ATOM 0 H LEU A 53 7.653 3.110 5.172 1.00 0.16 H new ATOM 0 HA LEU A 53 5.567 1.564 6.578 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.714 4.318 7.095 1.00 0.21 H new ATOM 0 HB3 LEU A 53 5.237 3.742 7.842 1.00 0.21 H new ATOM 0 HG LEU A 53 8.028 2.616 8.190 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.658 3.221 10.553 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.539 4.639 9.483 1.00 0.32 H new ATOM 0 HD13 LEU A 53 6.062 3.884 10.128 1.00 0.32 H new ATOM 0 HD21 LEU A 53 7.020 0.986 9.738 1.00 0.30 H new ATOM 0 HD22 LEU A 53 5.399 1.564 9.285 1.00 0.30 H new ATOM 0 HD23 LEU A 53 6.430 0.767 8.074 1.00 0.30 H new ATOM 414 N TRP A 54 3.755 2.448 5.193 1.00 0.18 N ATOM 415 CA TRP A 54 2.631 2.920 4.412 1.00 0.20 C ATOM 416 C TRP A 54 1.572 3.501 5.341 1.00 0.23 C ATOM 417 O TRP A 54 1.196 2.876 6.330 1.00 0.28 O ATOM 418 CB TRP A 54 2.043 1.752 3.605 1.00 0.22 C ATOM 419 CG TRP A 54 0.973 2.139 2.624 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.165 2.846 2.881 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.923 1.802 1.233 1.00 0.24 C ATOM 422 NE1 TRP A 54 -0.900 2.991 1.736 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.260 2.351 0.714 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.767 1.095 0.374 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.621 2.219 -0.622 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.403 0.959 -0.952 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.218 1.520 -1.435 1.00 0.35 C ATOM 0 H TRP A 54 3.612 1.532 5.618 1.00 0.18 H new ATOM 0 HA TRP A 54 2.963 3.697 3.724 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.851 1.259 3.064 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.632 1.020 4.300 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.445 3.235 3.849 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -1.783 3.496 1.659 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.687 0.663 0.739 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.534 2.655 -1.001 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 2.045 0.410 -1.626 1.00 0.41 H new ATOM 0 HH2 TRP A 54 -0.038 1.396 -2.477 1.00 0.35 H new ATOM 438 N SER A 55 1.112 4.696 5.036 1.00 0.26 N ATOM 439 CA SER A 55 0.004 5.280 5.751 1.00 0.33 C ATOM 440 C SER A 55 -0.942 5.931 4.756 1.00 0.25 C ATOM 441 O SER A 55 -0.568 6.883 4.071 1.00 0.22 O ATOM 442 CB SER A 55 0.510 6.319 6.756 1.00 0.44 C ATOM 443 OG SER A 55 1.473 5.758 7.635 1.00 1.11 O ATOM 0 H SER A 55 1.493 5.282 4.293 1.00 0.26 H new ATOM 0 HA SER A 55 -0.525 4.501 6.300 1.00 0.33 H new ATOM 0 HB2 SER A 55 0.949 7.162 6.222 1.00 0.44 H new ATOM 0 HB3 SER A 55 -0.329 6.709 7.333 1.00 0.44 H new ATOM 0 HG SER A 55 1.071 5.012 8.127 1.00 1.11 H new ATOM 449 N PHE A 56 -2.149 5.406 4.635 1.00 0.30 N ATOM 450 CA PHE A 56 -3.132 6.053 3.791 1.00 0.28 C ATOM 451 C PHE A 56 -3.601 7.311 4.492 1.00 0.27 C ATOM 452 O PHE A 56 -4.147 7.239 5.592 1.00 0.39 O ATOM 453 CB PHE A 56 -4.357 5.170 3.546 1.00 0.40 C ATOM 454 CG PHE A 56 -4.101 3.824 2.922 1.00 0.30 C ATOM 455 CD1 PHE A 56 -3.691 2.753 3.697 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.223 3.645 1.556 1.00 0.34 C ATOM 457 CE1 PHE A 56 -3.410 1.529 3.115 1.00 0.30 C ATOM 458 CE2 PHE A 56 -3.951 2.422 0.970 1.00 0.34 C ATOM 459 CZ PHE A 56 -3.714 1.313 1.789 1.00 0.27 C ATOM 0 H PHE A 56 -2.465 4.554 5.099 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.663 6.263 2.830 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -4.861 5.014 4.500 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -5.049 5.717 2.906 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -3.589 2.873 4.765 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -4.536 4.473 0.937 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -2.953 0.744 3.700 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -3.922 2.325 -0.105 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.768 0.311 1.391 1.00 0.27 H new ATOM 469 N ASN A 57 -3.416 8.450 3.864 1.00 0.24 N ATOM 470 CA ASN A 57 -3.917 9.684 4.429 1.00 0.31 C ATOM 471 C ASN A 57 -5.323 9.919 3.921 1.00 0.33 C ATOM 472 O ASN A 57 -5.532 10.472 2.843 1.00 0.41 O ATOM 473 CB ASN A 57 -3.007 10.859 4.071 1.00 0.45 C ATOM 474 CG ASN A 57 -3.353 12.128 4.833 1.00 1.09 C ATOM 475 OD1 ASN A 57 -4.519 12.410 5.123 1.00 2.12 O ATOM 476 ND2 ASN A 57 -2.332 12.897 5.175 1.00 1.16 N ATOM 0 H ASN A 57 -2.929 8.549 2.973 1.00 0.24 H new ATOM 0 HA ASN A 57 -3.931 9.604 5.516 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -1.972 10.587 4.279 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -3.077 11.053 3.001 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -2.494 13.758 5.697 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -1.382 12.629 4.916 1.00 1.16 H new ATOM 483 N THR A 58 -6.283 9.509 4.719 1.00 0.34 N ATOM 484 CA THR A 58 -7.677 9.612 4.355 1.00 0.40 C ATOM 485 C THR A 58 -8.272 10.910 4.889 1.00 0.48 C ATOM 486 O THR A 58 -9.487 11.101 4.900 1.00 0.61 O ATOM 487 CB THR A 58 -8.448 8.396 4.897 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.112 8.187 6.276 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.117 7.144 4.091 1.00 0.48 C ATOM 0 H THR A 58 -6.119 9.096 5.637 1.00 0.34 H new ATOM 0 HA THR A 58 -7.761 9.624 3.268 1.00 0.40 H new ATOM 0 HB THR A 58 -9.516 8.593 4.807 1.00 0.40 H new ATOM 0 HG1 THR A 58 -8.606 7.413 6.619 1.00 0.43 H new ATOM 0 HG21 THR A 58 -8.673 6.296 4.491 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.393 7.299 3.048 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.048 6.941 4.157 1.00 0.48 H new ATOM 497 N THR A 59 -7.389 11.802 5.314 1.00 0.50 N ATOM 498 CA THR A 59 -7.780 13.083 5.856 1.00 0.63 C ATOM 499 C THR A 59 -7.760 14.151 4.762 1.00 0.67 C ATOM 500 O THR A 59 -8.655 14.994 4.680 1.00 0.77 O ATOM 501 CB THR A 59 -6.824 13.469 7.003 1.00 0.74 C ATOM 502 OG1 THR A 59 -7.215 12.830 8.219 1.00 0.86 O ATOM 503 CG2 THR A 59 -6.752 14.973 7.200 1.00 0.90 C ATOM 0 H THR A 59 -6.380 11.652 5.290 1.00 0.50 H new ATOM 0 HA THR A 59 -8.795 13.013 6.246 1.00 0.63 H new ATOM 0 HB THR A 59 -5.828 13.125 6.724 1.00 0.74 H new ATOM 0 HG1 THR A 59 -6.597 13.084 8.936 1.00 0.86 H new ATOM 0 HG21 THR A 59 -6.068 15.201 8.017 1.00 0.90 H new ATOM 0 HG22 THR A 59 -6.393 15.443 6.285 1.00 0.90 H new ATOM 0 HG23 THR A 59 -7.744 15.356 7.440 1.00 0.90 H new ATOM 511 N ASN A 60 -6.752 14.091 3.902 1.00 0.65 N ATOM 512 CA ASN A 60 -6.674 14.994 2.761 1.00 0.74 C ATOM 513 C ASN A 60 -6.668 14.199 1.464 1.00 0.72 C ATOM 514 O ASN A 60 -6.496 14.748 0.377 1.00 0.84 O ATOM 515 CB ASN A 60 -5.444 15.909 2.849 1.00 0.86 C ATOM 516 CG ASN A 60 -4.131 15.155 2.956 1.00 1.17 C ATOM 517 OD1 ASN A 60 -3.981 14.051 2.436 1.00 1.99 O ATOM 518 ND2 ASN A 60 -3.170 15.746 3.644 1.00 1.69 N ATOM 0 H ASN A 60 -5.979 13.429 3.972 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.556 15.635 2.775 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -5.415 16.550 1.968 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -5.549 16.563 3.715 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -2.267 15.286 3.758 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -3.331 16.663 4.061 1.00 1.69 H new ATOM 525 N LYS A 61 -6.853 12.891 1.621 1.00 0.64 N ATOM 526 CA LYS A 61 -6.996 11.963 0.508 1.00 0.66 C ATOM 527 C LYS A 61 -5.715 11.839 -0.309 1.00 0.65 C ATOM 528 O LYS A 61 -5.670 12.177 -1.491 1.00 0.94 O ATOM 529 CB LYS A 61 -8.185 12.360 -0.365 1.00 0.84 C ATOM 530 CG LYS A 61 -9.513 12.097 0.318 1.00 0.96 C ATOM 531 CD LYS A 61 -10.503 13.215 0.089 1.00 0.99 C ATOM 532 CE LYS A 61 -10.885 13.360 -1.372 1.00 1.06 C ATOM 533 NZ LYS A 61 -12.044 14.274 -1.534 1.00 1.65 N ATOM 0 H LYS A 61 -6.908 12.443 2.536 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.190 10.974 0.924 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -8.111 13.418 -0.616 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -8.145 11.806 -1.303 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -9.932 11.161 -0.053 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -9.351 11.971 1.388 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -11.400 13.029 0.679 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -10.076 14.153 0.445 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -10.035 13.742 -1.937 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -11.129 12.382 -1.786 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -12.284 14.355 -2.543 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -12.861 13.895 -1.013 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -11.800 15.213 -1.160 1.00 1.65 H new ATOM 547 N SER A 62 -4.679 11.326 0.338 1.00 0.41 N ATOM 548 CA SER A 62 -3.418 11.061 -0.324 1.00 0.38 C ATOM 549 C SER A 62 -2.800 9.779 0.215 1.00 0.35 C ATOM 550 O SER A 62 -3.110 9.343 1.322 1.00 0.50 O ATOM 551 CB SER A 62 -2.449 12.230 -0.141 1.00 0.47 C ATOM 552 OG SER A 62 -2.239 12.528 1.228 1.00 1.28 O ATOM 0 H SER A 62 -4.692 11.085 1.329 1.00 0.41 H new ATOM 0 HA SER A 62 -3.612 10.941 -1.390 1.00 0.38 H new ATOM 0 HB2 SER A 62 -1.496 11.989 -0.611 1.00 0.47 H new ATOM 0 HB3 SER A 62 -2.842 13.111 -0.649 1.00 0.47 H new ATOM 0 HG SER A 62 -2.809 13.281 1.490 1.00 1.28 H new ATOM 558 N ILE A 63 -1.953 9.162 -0.580 1.00 0.36 N ATOM 559 CA ILE A 63 -1.194 8.015 -0.123 1.00 0.33 C ATOM 560 C ILE A 63 0.122 8.507 0.439 1.00 0.35 C ATOM 561 O ILE A 63 0.842 9.240 -0.233 1.00 0.54 O ATOM 562 CB ILE A 63 -0.876 6.998 -1.246 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.028 6.860 -2.254 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.540 5.652 -0.629 1.00 0.39 C ATOM 565 CD1 ILE A 63 -1.958 5.596 -3.082 1.00 1.11 C ATOM 0 H ILE A 63 -1.772 9.434 -1.546 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.806 7.505 0.620 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.017 7.372 -1.803 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -2.976 6.880 -1.716 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -2.022 7.722 -2.921 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.316 4.935 -1.419 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.328 5.757 0.023 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -1.390 5.296 -0.047 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -2.802 5.565 -3.771 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -1.027 5.583 -3.648 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -1.995 4.728 -2.424 1.00 1.11 H new ATOM 577 N ASN A 64 0.433 8.143 1.667 1.00 0.25 N ATOM 578 CA ASN A 64 1.704 8.527 2.252 1.00 0.25 C ATOM 579 C ASN A 64 2.561 7.298 2.494 1.00 0.21 C ATOM 580 O ASN A 64 2.397 6.601 3.492 1.00 0.24 O ATOM 581 CB ASN A 64 1.521 9.294 3.562 1.00 0.34 C ATOM 582 CG ASN A 64 0.705 10.572 3.423 1.00 0.57 C ATOM 583 OD1 ASN A 64 0.073 11.017 4.382 1.00 1.22 O ATOM 584 ND2 ASN A 64 0.703 11.173 2.239 1.00 0.53 N ATOM 0 H ASN A 64 -0.169 7.588 2.275 1.00 0.25 H new ATOM 0 HA ASN A 64 2.202 9.189 1.544 1.00 0.25 H new ATOM 0 HB2 ASN A 64 1.035 8.642 4.288 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.503 9.544 3.965 1.00 0.34 H new ATOM 0 HD21 ASN A 64 0.167 12.030 2.103 1.00 0.53 H new ATOM 0 HD22 ASN A 64 1.238 10.778 1.465 1.00 0.53 H new ATOM 591 N VAL A 65 3.458 7.018 1.566 1.00 0.20 N ATOM 592 CA VAL A 65 4.373 5.901 1.714 1.00 0.18 C ATOM 593 C VAL A 65 5.761 6.439 1.992 1.00 0.20 C ATOM 594 O VAL A 65 6.351 7.109 1.148 1.00 0.25 O ATOM 595 CB VAL A 65 4.437 5.009 0.462 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.132 3.696 0.783 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.055 4.766 -0.119 1.00 0.19 C ATOM 0 H VAL A 65 3.572 7.548 0.702 1.00 0.20 H new ATOM 0 HA VAL A 65 4.005 5.288 2.537 1.00 0.18 H new ATOM 0 HB VAL A 65 5.020 5.533 -0.296 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.170 3.076 -0.113 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.146 3.896 1.129 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.579 3.173 1.564 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.138 4.132 -1.002 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.429 4.272 0.625 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.605 5.719 -0.397 1.00 0.19 H new ATOM 607 N TYR A 66 6.280 6.159 3.165 1.00 0.19 N ATOM 608 CA TYR A 66 7.541 6.737 3.573 1.00 0.21 C ATOM 609 C TYR A 66 8.394 5.739 4.333 1.00 0.21 C ATOM 610 O TYR A 66 7.911 4.731 4.834 1.00 0.24 O ATOM 611 CB TYR A 66 7.299 7.991 4.423 1.00 0.27 C ATOM 612 CG TYR A 66 6.329 7.781 5.568 1.00 0.31 C ATOM 613 CD1 TYR A 66 4.962 7.964 5.385 1.00 0.33 C ATOM 614 CD2 TYR A 66 6.778 7.402 6.826 1.00 0.40 C ATOM 615 CE1 TYR A 66 4.073 7.773 6.425 1.00 0.43 C ATOM 616 CE2 TYR A 66 5.894 7.210 7.869 1.00 0.50 C ATOM 617 CZ TYR A 66 4.543 7.396 7.663 1.00 0.51 C ATOM 618 OH TYR A 66 3.661 7.210 8.702 1.00 0.63 O ATOM 0 H TYR A 66 5.852 5.538 3.851 1.00 0.19 H new ATOM 0 HA TYR A 66 8.086 7.017 2.672 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.252 8.334 4.826 1.00 0.27 H new ATOM 0 HB3 TYR A 66 6.920 8.786 3.780 1.00 0.27 H new ATOM 0 HD1 TYR A 66 4.590 8.260 4.415 1.00 0.33 H new ATOM 0 HD2 TYR A 66 7.835 7.255 6.991 1.00 0.40 H new ATOM 0 HE1 TYR A 66 3.014 7.919 6.268 1.00 0.43 H new ATOM 0 HE2 TYR A 66 6.259 6.915 8.842 1.00 0.50 H new ATOM 0 HH TYR A 66 2.888 6.696 8.387 1.00 0.63 H new ATOM 628 N SER A 67 9.668 6.031 4.380 1.00 0.21 N ATOM 629 CA SER A 67 10.630 5.253 5.120 1.00 0.24 C ATOM 630 C SER A 67 11.675 6.199 5.670 1.00 0.28 C ATOM 631 O SER A 67 11.478 7.418 5.646 1.00 0.30 O ATOM 632 CB SER A 67 11.286 4.180 4.246 1.00 0.26 C ATOM 633 OG SER A 67 12.165 4.753 3.288 1.00 0.29 O ATOM 0 H SER A 67 10.075 6.831 3.896 1.00 0.21 H new ATOM 0 HA SER A 67 10.122 4.731 5.931 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.838 3.483 4.877 1.00 0.26 H new ATOM 0 HB3 SER A 67 10.514 3.604 3.735 1.00 0.26 H new ATOM 0 HG SER A 67 12.444 4.065 2.648 1.00 0.29 H new ATOM 639 N LYS A 68 12.767 5.653 6.171 1.00 0.33 N ATOM 640 CA LYS A 68 13.852 6.445 6.702 1.00 0.38 C ATOM 641 C LYS A 68 14.407 7.384 5.620 1.00 0.36 C ATOM 642 O LYS A 68 15.091 8.363 5.922 1.00 0.42 O ATOM 643 CB LYS A 68 14.974 5.521 7.202 1.00 0.47 C ATOM 644 CG LYS A 68 14.667 4.021 7.160 1.00 0.63 C ATOM 645 CD LYS A 68 13.539 3.610 8.098 1.00 1.00 C ATOM 646 CE LYS A 68 13.974 3.569 9.551 1.00 1.58 C ATOM 647 NZ LYS A 68 12.860 3.122 10.427 1.00 2.03 N ATOM 0 H LYS A 68 12.924 4.646 6.220 1.00 0.33 H new ATOM 0 HA LYS A 68 13.474 7.043 7.531 1.00 0.38 H new ATOM 0 HB2 LYS A 68 15.866 5.707 6.605 1.00 0.47 H new ATOM 0 HB3 LYS A 68 15.215 5.795 8.229 1.00 0.47 H new ATOM 0 HG2 LYS A 68 14.403 3.740 6.141 1.00 0.63 H new ATOM 0 HG3 LYS A 68 15.568 3.465 7.421 1.00 0.63 H new ATOM 0 HD2 LYS A 68 12.709 4.309 7.991 1.00 1.00 H new ATOM 0 HD3 LYS A 68 13.168 2.628 7.806 1.00 1.00 H new ATOM 0 HE2 LYS A 68 14.822 2.893 9.662 1.00 1.58 H new ATOM 0 HE3 LYS A 68 14.312 4.558 9.862 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 13.213 2.988 11.396 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 12.109 3.842 10.428 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 12.477 2.223 10.071 1.00 2.03 H new ATOM 661 N CYS A 69 14.090 7.088 4.359 1.00 0.36 N ATOM 662 CA CYS A 69 14.670 7.805 3.232 1.00 0.37 C ATOM 663 C CYS A 69 13.611 8.250 2.211 1.00 0.41 C ATOM 664 O CYS A 69 13.590 9.413 1.808 1.00 0.74 O ATOM 665 CB CYS A 69 15.703 6.910 2.563 1.00 0.38 C ATOM 666 SG CYS A 69 16.910 6.185 3.721 1.00 0.38 S ATOM 0 H CYS A 69 13.432 6.354 4.096 1.00 0.36 H new ATOM 0 HA CYS A 69 15.139 8.713 3.611 1.00 0.37 H new ATOM 0 HB2 CYS A 69 15.188 6.105 2.039 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.238 7.489 1.810 1.00 0.38 H new ATOM 671 N ILE A 70 12.737 7.333 1.788 1.00 0.25 N ATOM 672 CA ILE A 70 11.723 7.658 0.779 1.00 0.22 C ATOM 673 C ILE A 70 10.530 8.356 1.434 1.00 0.23 C ATOM 674 O ILE A 70 10.232 8.121 2.606 1.00 0.27 O ATOM 675 CB ILE A 70 11.255 6.400 0.009 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.420 6.788 -1.206 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.469 5.453 0.901 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.406 5.733 -2.279 1.00 0.23 C ATOM 0 H ILE A 70 12.710 6.370 2.123 1.00 0.25 H new ATOM 0 HA ILE A 70 12.180 8.334 0.056 1.00 0.22 H new ATOM 0 HB ILE A 70 12.150 5.878 -0.329 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.397 6.986 -0.887 1.00 0.20 H new ATOM 0 HG13 ILE A 70 10.809 7.717 -1.624 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.158 4.583 0.323 1.00 0.22 H new ATOM 0 HG22 ILE A 70 11.096 5.132 1.732 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.588 5.965 1.288 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.794 6.072 -3.115 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.424 5.552 -2.624 1.00 0.23 H new ATOM 0 HD13 ILE A 70 9.990 4.810 -1.876 1.00 0.23 H new ATOM 690 N SER A 71 9.869 9.221 0.683 1.00 0.24 N ATOM 691 CA SER A 71 8.739 9.985 1.200 1.00 0.28 C ATOM 692 C SER A 71 7.772 10.288 0.069 1.00 0.29 C ATOM 693 O SER A 71 8.028 11.163 -0.756 1.00 0.39 O ATOM 694 CB SER A 71 9.230 11.292 1.834 1.00 0.42 C ATOM 695 OG SER A 71 8.181 11.969 2.507 1.00 1.12 O ATOM 0 H SER A 71 10.095 9.414 -0.293 1.00 0.24 H new ATOM 0 HA SER A 71 8.229 9.397 1.963 1.00 0.28 H new ATOM 0 HB2 SER A 71 10.035 11.077 2.536 1.00 0.42 H new ATOM 0 HB3 SER A 71 9.645 11.939 1.061 1.00 0.42 H new ATOM 0 HG SER A 71 8.526 12.797 2.901 1.00 1.12 H new ATOM 701 N GLY A 72 6.669 9.561 0.015 1.00 0.30 N ATOM 702 CA GLY A 72 5.778 9.689 -1.109 1.00 0.42 C ATOM 703 C GLY A 72 4.372 10.071 -0.740 1.00 0.31 C ATOM 704 O GLY A 72 3.717 9.392 0.045 1.00 0.40 O ATOM 0 H GLY A 72 6.378 8.890 0.726 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.179 10.438 -1.792 1.00 0.42 H new ATOM 0 HA3 GLY A 72 5.755 8.743 -1.650 1.00 0.42 H new ATOM 708 N LYS A 73 3.926 11.176 -1.305 1.00 0.24 N ATOM 709 CA LYS A 73 2.526 11.537 -1.280 1.00 0.23 C ATOM 710 C LYS A 73 1.927 11.155 -2.620 1.00 0.21 C ATOM 711 O LYS A 73 2.610 11.195 -3.635 1.00 0.27 O ATOM 712 CB LYS A 73 2.353 13.034 -1.036 1.00 0.35 C ATOM 713 CG LYS A 73 0.914 13.498 -0.979 1.00 1.00 C ATOM 714 CD LYS A 73 0.721 14.711 -1.852 1.00 0.70 C ATOM 715 CE LYS A 73 0.786 14.322 -3.307 1.00 0.43 C ATOM 716 NZ LYS A 73 0.564 15.482 -4.213 1.00 0.64 N ATOM 0 H LYS A 73 4.523 11.845 -1.792 1.00 0.24 H new ATOM 0 HA LYS A 73 2.022 11.012 -0.468 1.00 0.23 H new ATOM 0 HB2 LYS A 73 2.843 13.296 -0.098 1.00 0.35 H new ATOM 0 HB3 LYS A 73 2.867 13.580 -1.827 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.253 12.696 -1.308 1.00 1.00 H new ATOM 0 HG3 LYS A 73 0.641 13.735 0.050 1.00 1.00 H new ATOM 0 HD2 LYS A 73 -0.241 15.175 -1.635 1.00 0.70 H new ATOM 0 HD3 LYS A 73 1.489 15.452 -1.632 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.759 13.879 -3.519 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.037 13.557 -3.510 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 1.279 15.474 -4.968 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 -0.385 15.417 -4.634 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 0.643 16.366 -3.671 1.00 0.64 H new ATOM 730 N ALA A 74 0.669 10.792 -2.624 1.00 0.21 N ATOM 731 CA ALA A 74 0.024 10.325 -3.839 1.00 0.22 C ATOM 732 C ALA A 74 -1.465 10.607 -3.807 1.00 0.26 C ATOM 733 O ALA A 74 -2.075 10.553 -2.756 1.00 0.41 O ATOM 734 CB ALA A 74 0.273 8.834 -4.002 1.00 0.23 C ATOM 0 H ALA A 74 0.065 10.809 -1.802 1.00 0.21 H new ATOM 0 HA ALA A 74 0.448 10.861 -4.688 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.210 8.482 -4.913 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.345 8.649 -4.065 1.00 0.23 H new ATOM 0 HB3 ALA A 74 -0.137 8.301 -3.144 1.00 0.23 H new ATOM 740 N VAL A 75 -2.051 10.926 -4.944 1.00 0.28 N ATOM 741 CA VAL A 75 -3.492 11.084 -5.014 1.00 0.33 C ATOM 742 C VAL A 75 -4.101 9.773 -5.461 1.00 0.29 C ATOM 743 O VAL A 75 -3.769 9.268 -6.533 1.00 0.29 O ATOM 744 CB VAL A 75 -3.913 12.179 -5.999 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.373 12.548 -5.802 1.00 0.81 C ATOM 746 CG2 VAL A 75 -3.015 13.395 -5.878 1.00 0.80 C ATOM 0 H VAL A 75 -1.559 11.080 -5.824 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.843 11.374 -4.024 1.00 0.33 H new ATOM 0 HB VAL A 75 -3.801 11.788 -7.010 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -5.650 13.327 -6.512 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -5.996 11.669 -5.967 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -5.522 12.913 -4.786 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.336 14.157 -6.588 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -3.077 13.794 -4.866 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -1.985 13.110 -6.093 1.00 0.80 H new ATOM 756 N TYR A 76 -4.979 9.222 -4.649 1.00 0.29 N ATOM 757 CA TYR A 76 -5.506 7.897 -4.921 1.00 0.25 C ATOM 758 C TYR A 76 -6.828 7.952 -5.666 1.00 0.29 C ATOM 759 O TYR A 76 -7.672 8.815 -5.415 1.00 0.42 O ATOM 760 CB TYR A 76 -5.615 7.041 -3.646 1.00 0.29 C ATOM 761 CG TYR A 76 -6.463 7.597 -2.518 1.00 0.38 C ATOM 762 CD1 TYR A 76 -7.850 7.590 -2.588 1.00 0.46 C ATOM 763 CD2 TYR A 76 -5.869 8.085 -1.361 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.622 8.063 -1.540 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.633 8.551 -0.307 1.00 0.56 C ATOM 766 CZ TYR A 76 -8.008 8.539 -0.402 1.00 0.64 C ATOM 767 OH TYR A 76 -8.770 8.997 0.647 1.00 0.75 O ATOM 0 H TYR A 76 -5.341 9.663 -3.804 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.785 7.407 -5.575 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -6.017 6.067 -3.924 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.608 6.873 -3.263 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.335 7.209 -3.475 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -4.792 8.101 -1.283 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.699 8.059 -1.614 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.154 8.923 0.587 1.00 0.56 H new ATOM 0 HH TYR A 76 -9.098 8.236 1.170 1.00 0.75 H new ATOM 777 N SER A 77 -6.975 7.033 -6.602 1.00 0.25 N ATOM 778 CA SER A 77 -8.169 6.923 -7.413 1.00 0.29 C ATOM 779 C SER A 77 -8.651 5.478 -7.422 1.00 0.23 C ATOM 780 O SER A 77 -7.903 4.569 -7.053 1.00 0.26 O ATOM 781 CB SER A 77 -7.877 7.406 -8.830 1.00 0.39 C ATOM 782 OG SER A 77 -6.704 6.798 -9.344 1.00 0.98 O ATOM 0 H SER A 77 -6.262 6.337 -6.821 1.00 0.25 H new ATOM 0 HA SER A 77 -8.956 7.548 -6.992 1.00 0.29 H new ATOM 0 HB2 SER A 77 -8.723 7.176 -9.478 1.00 0.39 H new ATOM 0 HB3 SER A 77 -7.759 8.490 -8.831 1.00 0.39 H new ATOM 0 HG SER A 77 -6.539 7.122 -10.254 1.00 0.98 H new ATOM 788 N PHE A 78 -9.895 5.266 -7.822 1.00 0.20 N ATOM 789 CA PHE A 78 -10.460 3.924 -7.846 1.00 0.20 C ATOM 790 C PHE A 78 -11.057 3.606 -9.205 1.00 0.22 C ATOM 791 O PHE A 78 -11.822 4.396 -9.760 1.00 0.28 O ATOM 792 CB PHE A 78 -11.524 3.775 -6.759 1.00 0.24 C ATOM 793 CG PHE A 78 -10.973 3.933 -5.374 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.408 2.856 -4.712 1.00 0.36 C ATOM 795 CD2 PHE A 78 -11.035 5.156 -4.730 1.00 0.37 C ATOM 796 CE1 PHE A 78 -9.914 2.997 -3.433 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.540 5.306 -3.453 1.00 0.47 C ATOM 798 CZ PHE A 78 -9.931 4.230 -2.821 1.00 0.50 C ATOM 0 H PHE A 78 -10.530 6.001 -8.133 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.653 3.217 -7.653 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.306 4.517 -6.920 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -11.992 2.795 -6.848 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.354 1.896 -5.203 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.477 6.003 -5.234 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.514 2.140 -2.911 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.625 6.256 -2.946 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.472 4.360 -1.852 1.00 0.50 H new ATOM 808 N ASN A 79 -10.689 2.454 -9.745 1.00 0.21 N ATOM 809 CA ASN A 79 -11.226 2.001 -11.018 1.00 0.23 C ATOM 810 C ASN A 79 -11.522 0.509 -10.968 1.00 0.26 C ATOM 811 O ASN A 79 -10.602 -0.299 -10.892 1.00 0.31 O ATOM 812 CB ASN A 79 -10.235 2.291 -12.140 1.00 0.31 C ATOM 813 CG ASN A 79 -10.759 1.860 -13.498 1.00 0.45 C ATOM 814 OD1 ASN A 79 -11.965 1.879 -13.746 1.00 0.77 O ATOM 815 ND2 ASN A 79 -9.861 1.459 -14.383 1.00 0.59 N ATOM 0 H ASN A 79 -10.018 1.814 -9.319 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.154 2.539 -11.212 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -10.015 3.358 -12.160 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.297 1.776 -11.935 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -10.159 1.151 -15.309 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -8.870 1.458 -14.140 1.00 0.59 H new ATOM 822 N ALA A 80 -12.806 0.157 -10.993 1.00 0.28 N ATOM 823 CA ALA A 80 -13.239 -1.241 -10.965 1.00 0.38 C ATOM 824 C ALA A 80 -12.641 -1.991 -9.772 1.00 0.46 C ATOM 825 O ALA A 80 -12.177 -3.126 -9.902 1.00 0.95 O ATOM 826 CB ALA A 80 -12.885 -1.933 -12.275 1.00 0.45 C ATOM 0 H ALA A 80 -13.573 0.828 -11.033 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.323 -1.254 -10.847 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -13.214 -2.972 -12.238 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.382 -1.424 -13.101 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -11.806 -1.899 -12.424 1.00 0.45 H new ATOM 832 N GLY A 81 -12.649 -1.344 -8.613 1.00 0.24 N ATOM 833 CA GLY A 81 -12.126 -1.955 -7.410 1.00 0.21 C ATOM 834 C GLY A 81 -10.616 -1.870 -7.302 1.00 0.21 C ATOM 835 O GLY A 81 -10.031 -2.363 -6.342 1.00 0.31 O ATOM 0 H GLY A 81 -13.012 -0.399 -8.487 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.573 -1.472 -6.541 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.427 -3.002 -7.382 1.00 0.21 H new ATOM 839 N LYS A 82 -9.976 -1.260 -8.285 1.00 0.19 N ATOM 840 CA LYS A 82 -8.539 -1.073 -8.243 1.00 0.20 C ATOM 841 C LYS A 82 -8.191 0.229 -7.537 1.00 0.20 C ATOM 842 O LYS A 82 -8.696 1.293 -7.897 1.00 0.26 O ATOM 843 CB LYS A 82 -7.954 -1.064 -9.651 1.00 0.23 C ATOM 844 CG LYS A 82 -8.058 -2.393 -10.370 1.00 0.26 C ATOM 845 CD LYS A 82 -7.433 -3.507 -9.553 1.00 0.23 C ATOM 846 CE LYS A 82 -7.112 -4.711 -10.420 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.065 -4.399 -11.433 1.00 1.32 N ATOM 0 H LYS A 82 -10.429 -0.887 -9.119 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.108 -1.906 -7.688 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.465 -0.303 -10.241 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.905 -0.774 -9.596 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.105 -2.624 -10.564 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -7.562 -2.326 -11.338 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.522 -3.145 -9.077 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -8.114 -3.802 -8.755 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -6.774 -5.533 -9.789 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -8.018 -5.047 -10.925 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -5.620 -5.282 -11.756 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -6.500 -3.914 -12.244 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -5.343 -3.783 -11.008 1.00 1.32 H new ATOM 861 N PHE A 83 -7.332 0.129 -6.540 1.00 0.16 N ATOM 862 CA PHE A 83 -6.877 1.283 -5.785 1.00 0.16 C ATOM 863 C PHE A 83 -5.557 1.790 -6.347 1.00 0.16 C ATOM 864 O PHE A 83 -4.598 1.031 -6.506 1.00 0.17 O ATOM 865 CB PHE A 83 -6.759 0.902 -4.298 1.00 0.15 C ATOM 866 CG PHE A 83 -5.721 1.662 -3.516 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.000 2.911 -2.987 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.463 1.111 -3.302 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.044 3.596 -2.260 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.506 1.793 -2.577 1.00 0.22 C ATOM 871 CZ PHE A 83 -3.799 3.035 -2.058 1.00 0.22 C ATOM 0 H PHE A 83 -6.929 -0.755 -6.230 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.599 2.095 -5.873 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.729 1.053 -3.824 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.533 -0.162 -4.230 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -6.973 3.354 -3.144 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.231 0.137 -3.708 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.271 4.569 -1.850 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.532 1.355 -2.418 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.052 3.571 -1.491 1.00 0.22 H new ATOM 881 N MET A 84 -5.526 3.070 -6.677 1.00 0.19 N ATOM 882 CA MET A 84 -4.363 3.668 -7.304 1.00 0.19 C ATOM 883 C MET A 84 -3.831 4.825 -6.487 1.00 0.24 C ATOM 884 O MET A 84 -4.325 5.099 -5.398 1.00 0.44 O ATOM 885 CB MET A 84 -4.724 4.141 -8.705 1.00 0.22 C ATOM 886 CG MET A 84 -5.406 3.070 -9.508 1.00 0.21 C ATOM 887 SD MET A 84 -5.886 3.603 -11.150 1.00 0.25 S ATOM 888 CE MET A 84 -6.476 2.040 -11.761 1.00 0.23 C ATOM 0 H MET A 84 -6.299 3.717 -6.519 1.00 0.19 H new ATOM 0 HA MET A 84 -3.580 2.912 -7.363 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.376 5.012 -8.636 1.00 0.22 H new ATOM 0 HB3 MET A 84 -3.820 4.461 -9.223 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.740 2.212 -9.594 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.292 2.733 -8.971 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.106 2.205 -12.635 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.628 1.414 -12.038 1.00 0.23 H new ATOM 0 HE3 MET A 84 -7.057 1.542 -10.985 1.00 0.23 H new ATOM 898 N GLY A 85 -2.817 5.492 -7.014 1.00 0.19 N ATOM 899 CA GLY A 85 -2.258 6.644 -6.340 1.00 0.23 C ATOM 900 C GLY A 85 -1.104 7.266 -7.092 1.00 0.30 C ATOM 901 O GLY A 85 -0.014 6.712 -7.115 1.00 0.61 O ATOM 0 H GLY A 85 -2.370 5.255 -7.900 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -3.039 7.391 -6.202 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.920 6.348 -5.347 1.00 0.23 H new ATOM 905 N ASN A 86 -1.334 8.422 -7.696 1.00 0.27 N ATOM 906 CA ASN A 86 -0.279 9.117 -8.430 1.00 0.30 C ATOM 907 C ASN A 86 0.706 9.717 -7.437 1.00 0.24 C ATOM 908 O ASN A 86 0.364 10.636 -6.694 1.00 0.23 O ATOM 909 CB ASN A 86 -0.887 10.209 -9.323 1.00 0.41 C ATOM 910 CG ASN A 86 0.067 10.743 -10.386 1.00 0.58 C ATOM 911 OD1 ASN A 86 -0.358 11.082 -11.490 1.00 1.51 O ATOM 912 ND2 ASN A 86 1.346 10.849 -10.065 1.00 0.93 N ATOM 0 H ASN A 86 -2.235 8.899 -7.695 1.00 0.27 H new ATOM 0 HA ASN A 86 0.248 8.412 -9.072 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -1.775 9.810 -9.814 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -1.215 11.037 -8.695 1.00 0.41 H new ATOM 0 HD21 ASN A 86 2.013 11.221 -10.742 1.00 0.93 H new ATOM 0 HD22 ASN A 86 1.666 10.559 -9.141 1.00 0.93 H new ATOM 919 N PHE A 87 1.934 9.215 -7.455 1.00 0.23 N ATOM 920 CA PHE A 87 2.913 9.544 -6.426 1.00 0.20 C ATOM 921 C PHE A 87 3.764 10.751 -6.761 1.00 0.22 C ATOM 922 O PHE A 87 3.991 11.092 -7.923 1.00 0.30 O ATOM 923 CB PHE A 87 3.830 8.355 -6.148 1.00 0.24 C ATOM 924 CG PHE A 87 3.238 7.341 -5.218 1.00 0.20 C ATOM 925 CD1 PHE A 87 3.423 7.439 -3.853 1.00 0.23 C ATOM 926 CD2 PHE A 87 2.500 6.281 -5.718 1.00 0.23 C ATOM 927 CE1 PHE A 87 2.887 6.498 -2.997 1.00 0.27 C ATOM 928 CE2 PHE A 87 1.958 5.337 -4.872 1.00 0.27 C ATOM 929 CZ PHE A 87 2.130 5.477 -3.481 1.00 0.28 C ATOM 0 H PHE A 87 2.277 8.577 -8.173 1.00 0.23 H new ATOM 0 HA PHE A 87 2.329 9.791 -5.539 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.076 7.869 -7.092 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.766 8.721 -5.725 1.00 0.24 H new ATOM 0 HD1 PHE A 87 3.994 8.262 -3.450 1.00 0.23 H new ATOM 0 HD2 PHE A 87 2.347 6.193 -6.784 1.00 0.23 H new ATOM 0 HE1 PHE A 87 3.070 6.573 -1.935 1.00 0.27 H new ATOM 0 HE2 PHE A 87 1.407 4.499 -5.272 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.664 4.778 -2.803 1.00 0.28 H new ATOM 939 N ASN A 88 4.217 11.375 -5.692 1.00 0.21 N ATOM 940 CA ASN A 88 5.172 12.467 -5.722 1.00 0.26 C ATOM 941 C ASN A 88 6.232 12.179 -4.668 1.00 0.27 C ATOM 942 O ASN A 88 6.231 12.778 -3.588 1.00 0.42 O ATOM 943 CB ASN A 88 4.495 13.798 -5.399 1.00 0.34 C ATOM 944 CG ASN A 88 3.468 14.245 -6.428 1.00 1.15 C ATOM 945 OD1 ASN A 88 2.435 14.813 -6.070 1.00 2.02 O ATOM 946 ND2 ASN A 88 3.746 14.033 -7.706 1.00 1.66 N ATOM 0 H ASN A 88 3.921 11.129 -4.747 1.00 0.21 H new ATOM 0 HA ASN A 88 5.608 12.543 -6.718 1.00 0.26 H new ATOM 0 HB2 ASN A 88 4.007 13.718 -4.428 1.00 0.34 H new ATOM 0 HB3 ASN A 88 5.260 14.569 -5.309 1.00 0.34 H new ATOM 0 HD21 ASN A 88 3.095 14.343 -8.428 1.00 1.66 H new ATOM 0 HD22 ASN A 88 4.611 13.560 -7.968 1.00 1.66 H new ATOM 953 N VAL A 89 7.113 11.243 -4.967 1.00 0.24 N ATOM 954 CA VAL A 89 7.986 10.682 -3.947 1.00 0.24 C ATOM 955 C VAL A 89 9.344 11.366 -3.893 1.00 0.30 C ATOM 956 O VAL A 89 9.891 11.794 -4.911 1.00 0.34 O ATOM 957 CB VAL A 89 8.217 9.160 -4.128 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.431 8.505 -2.792 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.070 8.489 -4.876 1.00 0.25 C ATOM 0 H VAL A 89 7.245 10.855 -5.901 1.00 0.24 H new ATOM 0 HA VAL A 89 7.457 10.858 -3.010 1.00 0.24 H new ATOM 0 HB VAL A 89 9.113 9.035 -4.736 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.592 7.436 -2.932 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.304 8.943 -2.308 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.552 8.660 -2.166 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.276 7.424 -4.979 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.143 8.627 -4.320 1.00 0.25 H new ATOM 0 HG23 VAL A 89 6.970 8.936 -5.865 1.00 0.25 H new ATOM 969 N LYS A 90 9.853 11.477 -2.678 1.00 0.33 N ATOM 970 CA LYS A 90 11.227 11.856 -2.427 1.00 0.41 C ATOM 971 C LYS A 90 12.031 10.593 -2.248 1.00 0.33 C ATOM 972 O LYS A 90 11.676 9.738 -1.437 1.00 0.35 O ATOM 973 CB LYS A 90 11.325 12.724 -1.175 1.00 0.54 C ATOM 974 CG LYS A 90 11.598 14.183 -1.478 1.00 0.99 C ATOM 975 CD LYS A 90 10.675 14.678 -2.569 1.00 1.48 C ATOM 976 CE LYS A 90 10.854 16.164 -2.837 1.00 2.27 C ATOM 977 NZ LYS A 90 10.579 16.984 -1.628 1.00 2.81 N ATOM 0 H LYS A 90 9.314 11.304 -1.829 1.00 0.33 H new ATOM 0 HA LYS A 90 11.612 12.437 -3.265 1.00 0.41 H new ATOM 0 HB2 LYS A 90 10.395 12.645 -0.612 1.00 0.54 H new ATOM 0 HB3 LYS A 90 12.118 12.338 -0.535 1.00 0.54 H new ATOM 0 HG2 LYS A 90 11.459 14.780 -0.577 1.00 0.99 H new ATOM 0 HG3 LYS A 90 12.636 14.309 -1.786 1.00 0.99 H new ATOM 0 HD2 LYS A 90 10.865 14.119 -3.485 1.00 1.48 H new ATOM 0 HD3 LYS A 90 9.641 14.483 -2.285 1.00 1.48 H new ATOM 0 HE2 LYS A 90 11.872 16.351 -3.178 1.00 2.27 H new ATOM 0 HE3 LYS A 90 10.187 16.470 -3.643 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 10.445 17.977 -1.905 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 9.718 16.636 -1.161 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 11.382 16.914 -0.971 1.00 2.81 H new ATOM 991 N GLU A 91 13.094 10.464 -3.001 1.00 0.41 N ATOM 992 CA GLU A 91 13.769 9.183 -3.084 1.00 0.44 C ATOM 993 C GLU A 91 15.283 9.313 -3.122 1.00 0.46 C ATOM 994 O GLU A 91 15.847 10.276 -3.642 1.00 0.62 O ATOM 995 CB GLU A 91 13.271 8.422 -4.297 1.00 0.72 C ATOM 996 CG GLU A 91 13.551 6.937 -4.274 1.00 0.52 C ATOM 997 CD GLU A 91 13.219 6.280 -5.597 1.00 1.20 C ATOM 998 OE1 GLU A 91 13.757 6.726 -6.633 1.00 1.68 O ATOM 999 OE2 GLU A 91 12.424 5.319 -5.615 1.00 1.57 O ATOM 0 H GLU A 91 13.509 11.211 -3.558 1.00 0.41 H new ATOM 0 HA GLU A 91 13.530 8.631 -2.175 1.00 0.44 H new ATOM 0 HB2 GLU A 91 12.195 8.573 -4.386 1.00 0.72 H new ATOM 0 HB3 GLU A 91 13.728 8.850 -5.189 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.602 6.769 -4.039 1.00 0.52 H new ATOM 0 HG3 GLU A 91 12.968 6.470 -3.480 1.00 0.52 H new ATOM 1006 N VAL A 92 15.902 8.319 -2.531 1.00 0.45 N ATOM 1007 CA VAL A 92 17.348 8.217 -2.376 1.00 0.43 C ATOM 1008 C VAL A 92 17.835 6.925 -3.019 1.00 0.41 C ATOM 1009 O VAL A 92 17.039 6.042 -3.318 1.00 0.40 O ATOM 1010 CB VAL A 92 17.738 8.205 -0.885 1.00 0.44 C ATOM 1011 CG1 VAL A 92 17.137 9.391 -0.181 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.300 6.924 -0.228 1.00 0.40 C ATOM 0 H VAL A 92 15.402 7.527 -2.128 1.00 0.45 H new ATOM 0 HA VAL A 92 17.808 9.080 -2.858 1.00 0.43 H new ATOM 0 HB VAL A 92 18.824 8.268 -0.813 1.00 0.44 H new ATOM 0 HG11 VAL A 92 17.420 9.371 0.871 1.00 0.53 H new ATOM 0 HG12 VAL A 92 17.504 10.310 -0.638 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.051 9.352 -0.266 1.00 0.53 H new ATOM 0 HG21 VAL A 92 17.586 6.938 0.824 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.217 6.825 -0.308 1.00 0.40 H new ATOM 0 HG23 VAL A 92 17.779 6.079 -0.723 1.00 0.40 H new ATOM 1022 N ASP A 93 19.113 6.827 -3.291 1.00 0.44 N ATOM 1023 CA ASP A 93 19.685 5.548 -3.677 1.00 0.45 C ATOM 1024 C ASP A 93 20.513 5.011 -2.529 1.00 0.46 C ATOM 1025 O ASP A 93 20.907 5.768 -1.641 1.00 0.57 O ATOM 1026 CB ASP A 93 20.546 5.667 -4.927 1.00 0.56 C ATOM 1027 CG ASP A 93 19.740 5.918 -6.182 1.00 1.17 C ATOM 1028 OD1 ASP A 93 19.379 7.087 -6.436 1.00 1.83 O ATOM 1029 OD2 ASP A 93 19.440 4.946 -6.908 1.00 1.78 O ATOM 0 H ASP A 93 19.774 7.603 -3.255 1.00 0.44 H new ATOM 0 HA ASP A 93 18.869 4.863 -3.907 1.00 0.45 H new ATOM 0 HB2 ASP A 93 21.260 6.479 -4.793 1.00 0.56 H new ATOM 0 HB3 ASP A 93 21.124 4.751 -5.051 1.00 0.56 H new ATOM 1034 N GLY A 94 20.758 3.710 -2.520 1.00 0.42 N ATOM 1035 CA GLY A 94 21.540 3.126 -1.450 1.00 0.43 C ATOM 1036 C GLY A 94 20.679 2.670 -0.284 1.00 0.40 C ATOM 1037 O GLY A 94 20.922 1.618 0.306 1.00 0.48 O ATOM 0 H GLY A 94 20.433 3.052 -3.228 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.102 2.276 -1.837 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.268 3.856 -1.096 1.00 0.43 H new ATOM 1041 N CYS A 95 19.645 3.441 0.021 1.00 0.33 N ATOM 1042 CA CYS A 95 18.764 3.142 1.145 1.00 0.31 C ATOM 1043 C CYS A 95 17.814 2.045 0.727 1.00 0.27 C ATOM 1044 O CYS A 95 17.398 1.204 1.521 1.00 0.32 O ATOM 1045 CB CYS A 95 17.993 4.400 1.548 1.00 0.33 C ATOM 1046 SG CYS A 95 17.064 4.259 3.106 1.00 0.42 S ATOM 0 H CYS A 95 19.393 4.283 -0.496 1.00 0.33 H new ATOM 0 HA CYS A 95 19.345 2.811 2.006 1.00 0.31 H new ATOM 0 HB2 CYS A 95 18.696 5.228 1.634 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.297 4.655 0.748 1.00 0.33 H new ATOM 1051 N PHE A 96 17.497 2.057 -0.551 1.00 0.24 N ATOM 1052 CA PHE A 96 16.753 0.985 -1.165 1.00 0.23 C ATOM 1053 C PHE A 96 17.728 0.160 -1.987 1.00 0.24 C ATOM 1054 O PHE A 96 17.353 -0.426 -2.999 1.00 0.23 O ATOM 1055 CB PHE A 96 15.660 1.538 -2.080 1.00 0.24 C ATOM 1056 CG PHE A 96 15.022 2.796 -1.585 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.574 3.998 -1.938 1.00 0.30 C ATOM 1058 CD2 PHE A 96 13.898 2.794 -0.773 1.00 0.21 C ATOM 1059 CE1 PHE A 96 15.033 5.182 -1.494 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.352 3.976 -0.329 1.00 0.24 C ATOM 1061 CZ PHE A 96 13.927 5.172 -0.688 1.00 0.31 C ATOM 0 H PHE A 96 17.749 2.811 -1.190 1.00 0.24 H new ATOM 0 HA PHE A 96 16.275 0.379 -0.395 1.00 0.23 H new ATOM 0 HB2 PHE A 96 16.087 1.724 -3.065 1.00 0.24 H new ATOM 0 HB3 PHE A 96 14.889 0.778 -2.206 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.447 4.017 -2.574 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.447 1.856 -0.486 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.482 6.121 -1.782 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.474 3.964 0.300 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.507 6.102 -0.335 1.00 0.31 H new ATOM 1071 N MET A 97 18.986 0.136 -1.537 1.00 0.27 N ATOM 1072 CA MET A 97 20.072 -0.511 -2.260 1.00 0.29 C ATOM 1073 C MET A 97 19.954 -0.250 -3.758 1.00 0.31 C ATOM 1074 O MET A 97 20.050 0.898 -4.201 1.00 0.40 O ATOM 1075 CB MET A 97 20.094 -2.007 -1.948 1.00 0.29 C ATOM 1076 CG MET A 97 20.385 -2.312 -0.490 1.00 0.33 C ATOM 1077 SD MET A 97 21.029 -3.982 -0.236 1.00 0.45 S ATOM 1078 CE MET A 97 19.697 -4.979 -0.904 1.00 1.22 C ATOM 0 H MET A 97 19.275 0.567 -0.659 1.00 0.27 H new ATOM 0 HA MET A 97 21.020 -0.085 -1.930 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.131 -2.442 -2.218 1.00 0.29 H new ATOM 0 HB3 MET A 97 20.847 -2.490 -2.570 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.106 -1.588 -0.109 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.471 -2.188 0.091 1.00 0.33 H new ATOM 0 HE1 MET A 97 20.108 -5.889 -1.341 1.00 1.22 H new ATOM 0 HE2 MET A 97 19.003 -5.241 -0.106 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.170 -4.414 -1.673 1.00 1.22 H new ATOM 1088 N ASP A 98 19.723 -1.304 -4.524 1.00 0.30 N ATOM 1089 CA ASP A 98 19.432 -1.170 -5.941 1.00 0.31 C ATOM 1090 C ASP A 98 18.194 -1.963 -6.298 1.00 0.26 C ATOM 1091 O ASP A 98 17.283 -1.453 -6.949 1.00 0.25 O ATOM 1092 CB ASP A 98 20.616 -1.634 -6.786 1.00 0.40 C ATOM 1093 CG ASP A 98 21.797 -0.690 -6.698 1.00 1.01 C ATOM 1094 OD1 ASP A 98 21.808 0.327 -7.423 1.00 1.64 O ATOM 1095 OD2 ASP A 98 22.728 -0.959 -5.907 1.00 1.19 O ATOM 0 H ASP A 98 19.732 -2.266 -4.185 1.00 0.30 H new ATOM 0 HA ASP A 98 19.252 -0.116 -6.154 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.924 -2.627 -6.460 1.00 0.40 H new ATOM 0 HB3 ASP A 98 20.303 -1.723 -7.826 1.00 0.40 H new ATOM 1100 N ALA A 99 18.137 -3.194 -5.829 1.00 0.24 N ATOM 1101 CA ALA A 99 17.051 -4.079 -6.182 1.00 0.24 C ATOM 1102 C ALA A 99 15.825 -3.777 -5.340 1.00 0.20 C ATOM 1103 O ALA A 99 14.692 -4.060 -5.737 1.00 0.20 O ATOM 1104 CB ALA A 99 17.469 -5.528 -6.039 1.00 0.28 C ATOM 0 H ALA A 99 18.831 -3.602 -5.203 1.00 0.24 H new ATOM 0 HA ALA A 99 16.794 -3.909 -7.228 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.635 -6.176 -6.310 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.314 -5.730 -6.697 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.759 -5.723 -5.006 1.00 0.28 H new ATOM 1110 N GLN A 100 16.067 -3.205 -4.171 1.00 0.18 N ATOM 1111 CA GLN A 100 14.996 -2.779 -3.285 1.00 0.16 C ATOM 1112 C GLN A 100 14.278 -1.601 -3.916 1.00 0.14 C ATOM 1113 O GLN A 100 13.064 -1.459 -3.826 1.00 0.13 O ATOM 1114 CB GLN A 100 15.550 -2.351 -1.928 1.00 0.19 C ATOM 1115 CG GLN A 100 16.557 -3.320 -1.327 1.00 0.23 C ATOM 1116 CD GLN A 100 16.890 -3.008 0.123 1.00 0.29 C ATOM 1117 OE1 GLN A 100 17.214 -3.898 0.906 1.00 0.83 O ATOM 1118 NE2 GLN A 100 16.808 -1.740 0.495 1.00 1.27 N ATOM 0 H GLN A 100 17.004 -3.024 -3.812 1.00 0.18 H new ATOM 0 HA GLN A 100 14.311 -3.614 -3.136 1.00 0.16 H new ATOM 0 HB2 GLN A 100 16.022 -1.374 -2.034 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.720 -2.230 -1.232 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.162 -4.334 -1.393 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.473 -3.296 -1.918 1.00 0.23 H new ATOM 0 HE21 GLN A 100 16.536 -1.027 -0.181 1.00 1.27 H new ATOM 0 HE22 GLN A 100 17.017 -1.476 1.458 1.00 1.27 H new ATOM 1127 N LYS A 101 15.073 -0.751 -4.540 1.00 0.16 N ATOM 1128 CA LYS A 101 14.577 0.398 -5.275 1.00 0.17 C ATOM 1129 C LYS A 101 13.725 -0.059 -6.449 1.00 0.17 C ATOM 1130 O LYS A 101 12.618 0.430 -6.655 1.00 0.17 O ATOM 1131 CB LYS A 101 15.763 1.222 -5.763 1.00 0.23 C ATOM 1132 CG LYS A 101 15.373 2.548 -6.344 1.00 0.28 C ATOM 1133 CD LYS A 101 16.597 3.401 -6.621 1.00 0.50 C ATOM 1134 CE LYS A 101 16.221 4.814 -7.023 1.00 1.21 C ATOM 1135 NZ LYS A 101 15.337 4.839 -8.216 1.00 1.85 N ATOM 0 H LYS A 101 16.089 -0.839 -4.551 1.00 0.16 H new ATOM 0 HA LYS A 101 13.955 1.012 -4.624 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.448 1.386 -4.931 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.307 0.651 -6.515 1.00 0.23 H new ATOM 0 HG2 LYS A 101 14.816 2.394 -7.268 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.710 3.070 -5.655 1.00 0.28 H new ATOM 0 HD2 LYS A 101 17.227 3.432 -5.732 1.00 0.50 H new ATOM 0 HD3 LYS A 101 17.187 2.943 -7.414 1.00 0.50 H new ATOM 0 HE2 LYS A 101 15.719 5.306 -6.190 1.00 1.21 H new ATOM 0 HE3 LYS A 101 17.126 5.384 -7.231 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 15.708 5.520 -8.909 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 15.305 3.892 -8.645 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 14.378 5.122 -7.931 1.00 1.85 H new ATOM 1149 N ILE A 102 14.271 -0.986 -7.224 1.00 0.17 N ATOM 1150 CA ILE A 102 13.515 -1.676 -8.264 1.00 0.18 C ATOM 1151 C ILE A 102 12.199 -2.213 -7.712 1.00 0.15 C ATOM 1152 O ILE A 102 11.140 -2.003 -8.296 1.00 0.15 O ATOM 1153 CB ILE A 102 14.338 -2.843 -8.826 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.643 -2.302 -9.400 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.552 -3.609 -9.890 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.671 -3.367 -9.697 1.00 0.25 C ATOM 0 H ILE A 102 15.245 -1.281 -7.152 1.00 0.17 H new ATOM 0 HA ILE A 102 13.301 -0.960 -9.057 1.00 0.18 H new ATOM 0 HB ILE A 102 14.560 -3.543 -8.021 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.425 -1.755 -10.318 1.00 0.23 H new ATOM 0 HG13 ILE A 102 16.069 -1.587 -8.696 1.00 0.23 H new ATOM 0 HG21 ILE A 102 14.160 -4.430 -10.270 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.638 -4.008 -9.450 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.297 -2.936 -10.709 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.570 -2.902 -10.102 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.920 -3.899 -8.779 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.267 -4.070 -10.425 1.00 0.25 H new ATOM 1168 N ALA A 103 12.286 -2.891 -6.570 1.00 0.13 N ATOM 1169 CA ALA A 103 11.118 -3.419 -5.868 1.00 0.11 C ATOM 1170 C ALA A 103 10.079 -2.331 -5.634 1.00 0.10 C ATOM 1171 O ALA A 103 8.878 -2.560 -5.735 1.00 0.10 O ATOM 1172 CB ALA A 103 11.543 -3.993 -4.534 1.00 0.11 C ATOM 0 H ALA A 103 13.171 -3.090 -6.104 1.00 0.13 H new ATOM 0 HA ALA A 103 10.674 -4.197 -6.488 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.670 -4.386 -4.012 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.261 -4.797 -4.696 1.00 0.11 H new ATOM 0 HB3 ALA A 103 12.004 -3.210 -3.931 1.00 0.11 H new ATOM 1178 N ILE A 104 10.572 -1.144 -5.331 1.00 0.10 N ATOM 1179 CA ILE A 104 9.734 -0.008 -5.000 1.00 0.11 C ATOM 1180 C ILE A 104 9.158 0.641 -6.247 1.00 0.12 C ATOM 1181 O ILE A 104 8.010 1.085 -6.254 1.00 0.13 O ATOM 1182 CB ILE A 104 10.543 1.002 -4.184 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.749 0.449 -2.791 1.00 0.14 C ATOM 1184 CG2 ILE A 104 9.889 2.369 -4.121 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.278 1.473 -1.836 1.00 0.17 C ATOM 0 H ILE A 104 11.571 -0.941 -5.308 1.00 0.10 H new ATOM 0 HA ILE A 104 8.892 -0.360 -4.403 1.00 0.11 H new ATOM 0 HB ILE A 104 11.501 1.147 -4.683 1.00 0.11 H new ATOM 0 HG12 ILE A 104 9.802 0.062 -2.414 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.442 -0.391 -2.837 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.509 3.042 -3.529 1.00 0.15 H new ATOM 0 HG22 ILE A 104 9.781 2.768 -5.130 1.00 0.15 H new ATOM 0 HG23 ILE A 104 8.906 2.281 -3.659 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.406 1.021 -0.852 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.239 1.842 -2.194 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.574 2.302 -1.765 1.00 0.17 H new ATOM 1197 N ASP A 105 9.954 0.684 -7.303 1.00 0.13 N ATOM 1198 CA ASP A 105 9.468 1.138 -8.602 1.00 0.16 C ATOM 1199 C ASP A 105 8.318 0.251 -9.027 1.00 0.14 C ATOM 1200 O ASP A 105 7.263 0.719 -9.463 1.00 0.17 O ATOM 1201 CB ASP A 105 10.573 1.066 -9.643 1.00 0.21 C ATOM 1202 CG ASP A 105 10.122 1.551 -11.008 1.00 0.36 C ATOM 1203 OD1 ASP A 105 10.197 2.771 -11.263 1.00 0.53 O ATOM 1204 OD2 ASP A 105 9.682 0.717 -11.829 1.00 0.44 O ATOM 0 H ASP A 105 10.937 0.412 -7.290 1.00 0.13 H new ATOM 0 HA ASP A 105 9.139 2.174 -8.519 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.420 1.666 -9.310 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.923 0.037 -9.725 1.00 0.21 H new ATOM 1209 N LYS A 106 8.553 -1.043 -8.870 1.00 0.13 N ATOM 1210 CA LYS A 106 7.530 -2.057 -9.080 1.00 0.13 C ATOM 1211 C LYS A 106 6.301 -1.774 -8.218 1.00 0.12 C ATOM 1212 O LYS A 106 5.180 -1.726 -8.723 1.00 0.14 O ATOM 1213 CB LYS A 106 8.089 -3.430 -8.709 1.00 0.14 C ATOM 1214 CG LYS A 106 9.180 -3.937 -9.622 1.00 0.16 C ATOM 1215 CD LYS A 106 10.034 -4.979 -8.917 1.00 0.18 C ATOM 1216 CE LYS A 106 10.900 -5.761 -9.886 1.00 0.22 C ATOM 1217 NZ LYS A 106 11.898 -6.598 -9.173 1.00 0.29 N ATOM 0 H LYS A 106 9.459 -1.420 -8.593 1.00 0.13 H new ATOM 0 HA LYS A 106 7.239 -2.039 -10.130 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.477 -3.386 -7.691 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.272 -4.151 -8.707 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.738 -4.370 -10.519 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.806 -3.105 -9.945 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.669 -4.488 -8.180 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.388 -5.668 -8.372 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.269 -6.396 -10.508 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.414 -5.070 -10.554 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 12.006 -7.506 -9.668 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 12.813 -6.104 -9.152 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.575 -6.770 -8.200 1.00 0.29 H new ATOM 1231 N LEU A 107 6.533 -1.559 -6.923 1.00 0.10 N ATOM 1232 CA LEU A 107 5.455 -1.347 -5.958 1.00 0.11 C ATOM 1233 C LEU A 107 4.642 -0.103 -6.293 1.00 0.10 C ATOM 1234 O LEU A 107 3.417 -0.158 -6.343 1.00 0.11 O ATOM 1235 CB LEU A 107 6.043 -1.262 -4.526 1.00 0.13 C ATOM 1236 CG LEU A 107 5.622 -0.055 -3.672 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.194 -0.190 -3.173 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.577 0.120 -2.503 1.00 0.15 C ATOM 0 H LEU A 107 7.468 -1.527 -6.516 1.00 0.10 H new ATOM 0 HA LEU A 107 4.774 -2.196 -6.009 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.765 -2.170 -3.991 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.130 -1.259 -4.605 1.00 0.13 H new ATOM 0 HG LEU A 107 5.666 0.831 -4.305 1.00 0.11 H new ATOM 0 HD11 LEU A 107 3.934 0.682 -2.574 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.516 -0.261 -4.024 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.105 -1.089 -2.563 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.268 0.978 -1.906 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.562 -0.777 -1.884 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.587 0.285 -2.879 1.00 0.15 H new ATOM 1250 N PHE A 108 5.320 0.999 -6.561 1.00 0.10 N ATOM 1251 CA PHE A 108 4.642 2.269 -6.793 1.00 0.11 C ATOM 1252 C PHE A 108 3.893 2.291 -8.119 1.00 0.12 C ATOM 1253 O PHE A 108 2.846 2.928 -8.230 1.00 0.14 O ATOM 1254 CB PHE A 108 5.619 3.439 -6.685 1.00 0.12 C ATOM 1255 CG PHE A 108 5.876 3.856 -5.261 1.00 0.12 C ATOM 1256 CD1 PHE A 108 5.049 3.438 -4.232 1.00 0.15 C ATOM 1257 CD2 PHE A 108 6.959 4.668 -4.953 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.300 3.821 -2.925 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.210 5.053 -3.655 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.316 4.623 -2.625 1.00 0.14 C ATOM 0 H PHE A 108 6.337 1.044 -6.624 1.00 0.10 H new ATOM 0 HA PHE A 108 3.893 2.380 -6.009 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.563 3.162 -7.154 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.224 4.289 -7.242 1.00 0.12 H new ATOM 0 HD1 PHE A 108 4.200 2.807 -4.451 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.615 5.003 -5.743 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.658 3.461 -2.135 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.066 5.668 -3.419 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.466 4.949 -1.606 1.00 0.14 H new ATOM 1270 N SER A 109 4.405 1.589 -9.116 1.00 0.13 N ATOM 1271 CA SER A 109 3.711 1.496 -10.385 1.00 0.14 C ATOM 1272 C SER A 109 2.473 0.614 -10.236 1.00 0.14 C ATOM 1273 O SER A 109 1.486 0.787 -10.948 1.00 0.16 O ATOM 1274 CB SER A 109 4.639 0.949 -11.466 1.00 0.17 C ATOM 1275 OG SER A 109 4.018 0.991 -12.741 1.00 1.14 O ATOM 0 H SER A 109 5.289 1.081 -9.071 1.00 0.13 H new ATOM 0 HA SER A 109 3.395 2.494 -10.688 1.00 0.14 H new ATOM 0 HB2 SER A 109 5.560 1.531 -11.487 1.00 0.17 H new ATOM 0 HB3 SER A 109 4.916 -0.078 -11.227 1.00 0.17 H new ATOM 0 HG SER A 109 4.633 0.637 -13.416 1.00 1.14 H new ATOM 1281 N MET A 110 2.533 -0.322 -9.292 1.00 0.13 N ATOM 1282 CA MET A 110 1.428 -1.243 -9.047 1.00 0.14 C ATOM 1283 C MET A 110 0.155 -0.517 -8.665 1.00 0.14 C ATOM 1284 O MET A 110 -0.893 -0.750 -9.266 1.00 0.16 O ATOM 1285 CB MET A 110 1.755 -2.202 -7.921 1.00 0.13 C ATOM 1286 CG MET A 110 2.727 -3.298 -8.275 1.00 0.17 C ATOM 1287 SD MET A 110 2.708 -4.584 -7.028 1.00 0.23 S ATOM 1288 CE MET A 110 2.390 -3.608 -5.567 1.00 0.14 C ATOM 0 H MET A 110 3.339 -0.462 -8.682 1.00 0.13 H new ATOM 0 HA MET A 110 1.278 -1.782 -9.982 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.163 -1.632 -7.086 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.828 -2.658 -7.573 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.469 -3.721 -9.246 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.732 -2.885 -8.365 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.365 -4.259 -4.693 1.00 0.14 H new ATOM 0 HE2 MET A 110 3.180 -2.867 -5.445 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.430 -3.102 -5.670 1.00 0.14 H new ATOM 1298 N LEU A 111 0.241 0.349 -7.651 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.936 1.069 -7.188 1.00 0.15 C ATOM 1300 C LEU A 111 -1.504 1.843 -8.348 1.00 0.17 C ATOM 1301 O LEU A 111 -2.691 1.801 -8.624 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.636 2.083 -6.069 1.00 0.17 C ATOM 1303 CG LEU A 111 0.243 1.637 -4.897 1.00 0.15 C ATOM 1304 CD1 LEU A 111 0.060 0.158 -4.582 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.700 1.982 -5.167 1.00 0.15 C ATOM 0 H LEU A 111 1.101 0.562 -7.146 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.625 0.324 -6.790 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.163 2.952 -6.527 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.589 2.418 -5.660 1.00 0.17 H new ATOM 0 HG LEU A 111 -0.075 2.183 -4.009 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.701 -0.118 -3.745 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -0.981 -0.032 -4.320 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.329 -0.436 -5.456 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.312 1.659 -4.325 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.032 1.475 -6.073 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.801 3.060 -5.297 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.607 2.506 -9.049 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.962 3.408 -10.119 1.00 0.22 C ATOM 1319 C LYS A 112 -1.544 2.661 -11.310 1.00 0.21 C ATOM 1320 O LYS A 112 -2.268 3.238 -12.118 1.00 0.24 O ATOM 1321 CB LYS A 112 0.275 4.195 -10.518 1.00 0.29 C ATOM 1322 CG LYS A 112 0.721 5.170 -9.442 1.00 0.36 C ATOM 1323 CD LYS A 112 2.039 5.834 -9.784 1.00 0.47 C ATOM 1324 CE LYS A 112 1.881 6.831 -10.916 1.00 1.22 C ATOM 1325 NZ LYS A 112 1.989 6.197 -12.259 1.00 1.82 N ATOM 0 H LYS A 112 0.398 2.431 -8.888 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.737 4.091 -9.771 1.00 0.22 H new ATOM 0 HB2 LYS A 112 1.088 3.502 -10.734 1.00 0.29 H new ATOM 0 HB3 LYS A 112 0.071 4.743 -11.438 1.00 0.29 H new ATOM 0 HG2 LYS A 112 -0.045 5.934 -9.306 1.00 0.36 H new ATOM 0 HG3 LYS A 112 0.817 4.643 -8.493 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.432 6.341 -8.903 1.00 0.47 H new ATOM 0 HD3 LYS A 112 2.768 5.074 -10.066 1.00 0.47 H new ATOM 0 HE2 LYS A 112 0.913 7.324 -10.828 1.00 1.22 H new ATOM 0 HE3 LYS A 112 2.642 7.605 -10.822 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 2.639 6.750 -12.853 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 2.353 5.228 -12.157 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 1.051 6.169 -12.706 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.228 1.376 -11.422 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.805 0.550 -12.468 1.00 0.22 C ATOM 1341 C ASP A 113 -3.135 0.015 -11.985 1.00 0.21 C ATOM 1342 O ASP A 113 -3.997 -0.401 -12.762 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.866 -0.601 -12.774 1.00 0.25 C ATOM 1344 CG ASP A 113 -1.255 -1.370 -14.024 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -0.843 -0.967 -15.130 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -1.999 -2.366 -13.905 1.00 0.46 O ATOM 0 H ASP A 113 -0.579 0.889 -10.804 1.00 0.20 H new ATOM 0 HA ASP A 113 -1.953 1.138 -13.374 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.146 -0.215 -12.892 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.849 -1.284 -11.925 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.276 0.058 -10.680 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.492 -0.341 -10.029 1.00 0.17 C ATOM 1353 C GLY A 114 -4.296 -1.578 -9.184 1.00 0.15 C ATOM 1354 O GLY A 114 -4.437 -2.700 -9.674 1.00 0.18 O ATOM 0 H GLY A 114 -2.545 0.373 -10.042 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.853 0.474 -9.402 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.260 -0.531 -10.779 1.00 0.17 H new ATOM 1358 N VAL A 115 -3.962 -1.378 -7.918 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.783 -2.480 -6.998 1.00 0.12 C ATOM 1360 C VAL A 115 -5.040 -2.621 -6.147 1.00 0.12 C ATOM 1361 O VAL A 115 -5.559 -1.638 -5.632 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.525 -2.277 -6.111 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.863 -2.182 -4.638 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.505 -3.368 -6.371 1.00 0.14 C ATOM 0 H VAL A 115 -3.810 -0.457 -7.507 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.625 -3.398 -7.564 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.086 -1.319 -6.391 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.948 -2.040 -4.063 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.530 -1.336 -4.472 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.354 -3.101 -4.317 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.631 -3.207 -5.740 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -1.944 -4.339 -6.142 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.205 -3.343 -7.419 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.554 -3.822 -6.034 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.754 -4.041 -5.265 1.00 0.13 C ATOM 1376 C VAL A 116 -6.425 -4.633 -3.906 1.00 0.10 C ATOM 1377 O VAL A 116 -5.742 -5.651 -3.794 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.767 -4.922 -6.026 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.114 -6.176 -6.563 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -8.967 -5.263 -5.151 1.00 0.23 C ATOM 0 H VAL A 116 -5.161 -4.660 -6.463 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.225 -3.071 -5.107 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.127 -4.345 -6.878 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -7.855 -6.774 -7.093 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.311 -5.903 -7.247 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -6.705 -6.756 -5.736 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.663 -5.884 -5.714 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.631 -5.805 -4.267 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.467 -4.344 -4.845 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.887 -3.942 -2.881 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.723 -4.371 -1.505 1.00 0.11 C ATOM 1392 C LEU A 117 -7.720 -5.491 -1.222 1.00 0.12 C ATOM 1393 O LEU A 117 -8.922 -5.281 -1.331 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.941 -3.169 -0.571 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.777 -2.153 -0.468 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -4.986 -2.044 -1.763 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -6.309 -0.781 -0.085 1.00 0.24 C ATOM 0 H LEU A 117 -7.390 -3.061 -2.981 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.716 -4.752 -1.332 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.831 -2.635 -0.904 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -7.152 -3.548 0.429 1.00 0.15 H new ATOM 0 HG LEU A 117 -5.102 -2.522 0.304 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -4.182 -1.319 -1.638 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.562 -3.017 -2.014 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.647 -1.718 -2.567 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.481 -0.076 -0.016 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -7.014 -0.440 -0.843 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.814 -0.843 0.879 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.201 -6.678 -0.891 1.00 0.14 N ATOM 1410 CA LYS A 118 -7.988 -7.911 -0.752 1.00 0.18 C ATOM 1411 C LYS A 118 -7.051 -9.104 -0.873 1.00 0.22 C ATOM 1412 O LYS A 118 -5.957 -8.982 -1.423 1.00 0.27 O ATOM 1413 CB LYS A 118 -9.095 -8.035 -1.822 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.491 -7.648 -1.326 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.562 -7.866 -2.384 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.497 -6.824 -3.480 1.00 0.39 C ATOM 1417 NZ LYS A 118 -12.245 -7.249 -4.691 1.00 0.80 N ATOM 0 H LYS A 118 -6.206 -6.813 -0.709 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.476 -7.883 0.222 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.836 -7.404 -2.672 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -9.122 -9.063 -2.184 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.734 -8.234 -0.440 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.489 -6.600 -1.025 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.444 -8.858 -2.820 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.546 -7.838 -1.915 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.906 -5.883 -3.112 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.456 -6.638 -3.743 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -12.205 -6.495 -5.406 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -11.818 -8.115 -5.077 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -13.237 -7.435 -4.439 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.472 -10.246 -0.363 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.665 -11.442 -0.472 1.00 0.38 C ATOM 1433 C GLY A 119 -7.503 -12.696 -0.404 1.00 0.53 C ATOM 1434 O GLY A 119 -8.728 -12.618 -0.318 1.00 0.85 O ATOM 0 H GLY A 119 -8.359 -10.369 0.126 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -6.115 -11.424 -1.413 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -5.926 -11.455 0.329 1.00 0.38 H new ATOM 1519 N THR A 125 -6.304 -7.568 7.994 1.00 0.54 N ATOM 1520 CA THR A 125 -5.070 -7.189 7.330 1.00 0.40 C ATOM 1521 C THR A 125 -5.322 -6.851 5.863 1.00 0.29 C ATOM 1522 O THR A 125 -6.160 -7.471 5.210 1.00 0.34 O ATOM 1523 CB THR A 125 -4.015 -8.312 7.445 1.00 0.39 C ATOM 1524 OG1 THR A 125 -3.761 -8.611 8.826 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.723 -7.898 6.779 1.00 0.37 C ATOM 0 HA THR A 125 -4.684 -6.300 7.828 1.00 0.40 H new ATOM 0 HB THR A 125 -4.405 -9.198 6.945 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.589 -8.508 9.341 1.00 0.51 H new ATOM 0 HG21 THR A 125 -1.993 -8.702 6.871 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.907 -7.693 5.724 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.337 -7.000 7.261 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.597 -5.857 5.359 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.770 -5.396 3.990 1.00 0.15 C ATOM 1535 C ILE A 126 -3.763 -6.081 3.074 1.00 0.14 C ATOM 1536 O ILE A 126 -2.613 -6.280 3.453 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.591 -3.865 3.884 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.201 -3.182 5.117 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.243 -3.352 2.611 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.197 -1.664 5.078 1.00 0.16 C ATOM 0 H ILE A 126 -3.881 -5.354 5.883 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.784 -5.650 3.683 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.527 -3.630 3.846 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.229 -3.525 5.232 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.655 -3.509 6.002 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.112 -2.272 2.545 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.779 -3.828 1.747 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.307 -3.588 2.627 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.648 -1.275 5.991 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.171 -1.305 4.998 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.770 -1.321 4.216 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.188 -6.445 1.874 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.312 -7.147 0.946 1.00 0.12 C ATOM 1554 C LEU A 127 -3.323 -6.459 -0.413 1.00 0.11 C ATOM 1555 O LEU A 127 -4.356 -5.966 -0.856 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.732 -8.614 0.823 1.00 0.15 C ATOM 1557 CG LEU A 127 -3.956 -9.316 2.160 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.586 -10.681 1.953 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.638 -9.439 2.894 1.00 0.20 C ATOM 0 H LEU A 127 -5.128 -6.268 1.520 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.293 -7.119 1.333 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.650 -8.669 0.238 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.966 -9.154 0.266 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.643 -8.722 2.762 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.736 -11.163 2.919 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.547 -10.566 1.452 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -3.928 -11.296 1.339 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.799 -9.940 3.849 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -1.939 -10.020 2.292 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.226 -8.446 3.071 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.164 -6.416 -1.050 1.00 0.11 N ATOM 1572 CA ILE A 128 -1.976 -5.664 -2.294 1.00 0.11 C ATOM 1573 C ILE A 128 -1.800 -6.596 -3.499 1.00 0.13 C ATOM 1574 O ILE A 128 -0.811 -7.331 -3.596 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.744 -4.736 -2.187 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.949 -3.691 -1.096 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.446 -4.066 -3.515 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.222 -2.748 -0.939 1.00 0.12 C ATOM 0 H ILE A 128 -1.325 -6.898 -0.726 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.875 -5.067 -2.446 1.00 0.11 H new ATOM 0 HB ILE A 128 0.115 -5.352 -1.919 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.844 -3.112 -1.322 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -1.128 -4.197 -0.147 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.425 -3.420 -3.409 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.244 -4.827 -4.269 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.305 -3.470 -3.822 1.00 0.11 H new ATOM 0 HD11 ILE A 128 0.008 -2.031 -0.146 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.116 -3.317 -0.683 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.388 -2.215 -1.875 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.742 -6.540 -4.432 1.00 0.15 N ATOM 1591 CA GLU A 129 -2.737 -7.412 -5.583 1.00 0.19 C ATOM 1592 C GLU A 129 -2.983 -6.607 -6.866 1.00 0.17 C ATOM 1593 O GLU A 129 -3.791 -5.679 -6.873 1.00 0.19 O ATOM 1594 CB GLU A 129 -3.827 -8.474 -5.418 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.314 -9.011 -6.742 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.390 -10.068 -6.619 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -5.064 -11.197 -6.197 1.00 1.62 O ATOM 1598 OE2 GLU A 129 -6.567 -9.771 -6.910 1.00 0.71 O ATOM 0 H GLU A 129 -3.526 -5.888 -4.406 1.00 0.15 H new ATOM 0 HA GLU A 129 -1.763 -7.895 -5.659 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.441 -9.296 -4.816 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.667 -8.046 -4.872 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -4.698 -8.184 -7.339 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -3.468 -9.430 -7.286 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.280 -6.954 -7.938 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.580 -6.418 -9.263 1.00 0.21 C ATOM 1607 C LYS A 130 -2.019 -7.353 -10.329 1.00 0.29 C ATOM 1608 O LYS A 130 -1.024 -8.038 -10.094 1.00 0.31 O ATOM 1609 CB LYS A 130 -2.105 -4.948 -9.444 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.596 -4.692 -9.420 1.00 0.19 C ATOM 1611 CD LYS A 130 0.051 -4.938 -10.768 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.295 -3.813 -11.722 1.00 0.25 C ATOM 1613 NZ LYS A 130 0.206 -4.052 -13.101 1.00 0.39 N ATOM 0 H LYS A 130 -1.496 -7.606 -7.916 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.663 -6.375 -9.376 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.495 -4.582 -10.394 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.562 -4.346 -8.659 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.409 -3.663 -9.112 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.132 -5.337 -8.674 1.00 0.19 H new ATOM 0 HD2 LYS A 130 1.133 -5.009 -10.654 1.00 0.25 H new ATOM 0 HD3 LYS A 130 -0.290 -5.890 -11.176 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.377 -3.687 -11.750 1.00 0.25 H new ATOM 0 HE3 LYS A 130 0.125 -2.881 -11.344 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 0.820 -3.263 -13.389 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 0.748 -4.939 -13.124 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 -0.599 -4.121 -13.756 1.00 0.39 H new ATOM 1627 N ASP A 131 -2.701 -7.402 -11.474 1.00 0.38 N ATOM 1628 CA ASP A 131 -2.390 -8.334 -12.567 1.00 0.49 C ATOM 1629 C ASP A 131 -2.808 -9.753 -12.208 1.00 0.47 C ATOM 1630 O ASP A 131 -2.328 -10.723 -12.794 1.00 0.52 O ATOM 1631 CB ASP A 131 -0.907 -8.309 -12.961 1.00 0.55 C ATOM 1632 CG ASP A 131 -0.502 -7.018 -13.634 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -1.363 -6.364 -14.259 1.00 1.03 O ATOM 1634 OD2 ASP A 131 0.682 -6.640 -13.545 1.00 1.13 O ATOM 0 H ASP A 131 -3.493 -6.791 -11.674 1.00 0.38 H new ATOM 0 HA ASP A 131 -2.964 -7.997 -13.431 1.00 0.49 H new ATOM 0 HB2 ASP A 131 -0.296 -8.456 -12.070 1.00 0.55 H new ATOM 0 HB3 ASP A 131 -0.700 -9.143 -13.631 1.00 0.55 H new ATOM 1639 N GLY A 132 -3.708 -9.867 -11.241 1.00 0.48 N ATOM 1640 CA GLY A 132 -4.230 -11.166 -10.862 1.00 0.51 C ATOM 1641 C GLY A 132 -3.441 -11.818 -9.745 1.00 0.45 C ATOM 1642 O GLY A 132 -3.882 -12.814 -9.166 1.00 0.52 O ATOM 0 H GLY A 132 -4.087 -9.082 -10.711 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -5.269 -11.057 -10.550 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -4.226 -11.821 -11.733 1.00 0.51 H new ATOM 1646 N GLU A 133 -2.277 -11.266 -9.440 1.00 0.47 N ATOM 1647 CA GLU A 133 -1.433 -11.811 -8.391 1.00 0.45 C ATOM 1648 C GLU A 133 -1.282 -10.818 -7.255 1.00 0.33 C ATOM 1649 O GLU A 133 -1.317 -9.601 -7.452 1.00 0.30 O ATOM 1650 CB GLU A 133 -0.038 -12.163 -8.909 1.00 0.54 C ATOM 1651 CG GLU A 133 0.836 -10.942 -9.109 1.00 0.56 C ATOM 1652 CD GLU A 133 2.201 -11.254 -9.684 1.00 0.76 C ATOM 1653 OE1 GLU A 133 2.299 -12.118 -10.574 1.00 1.31 O ATOM 1654 OE2 GLU A 133 3.186 -10.615 -9.253 1.00 1.24 O ATOM 0 H GLU A 133 -1.896 -10.441 -9.904 1.00 0.47 H new ATOM 0 HA GLU A 133 -1.922 -12.719 -8.037 1.00 0.45 H new ATOM 0 HB2 GLU A 133 0.446 -12.840 -8.205 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -0.130 -12.698 -9.854 1.00 0.54 H new ATOM 0 HG2 GLU A 133 0.324 -10.245 -9.772 1.00 0.56 H new ATOM 0 HG3 GLU A 133 0.962 -10.437 -8.152 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.104 -11.354 -6.074 1.00 0.32 N ATOM 1662 CA VAL A 134 -0.773 -10.552 -4.917 1.00 0.24 C ATOM 1663 C VAL A 134 0.729 -10.584 -4.738 1.00 0.22 C ATOM 1664 O VAL A 134 1.349 -11.648 -4.742 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.474 -11.025 -3.622 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.224 -12.489 -3.386 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -1.033 -10.201 -2.423 1.00 0.21 C ATOM 0 H VAL A 134 -1.183 -12.353 -5.885 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.130 -9.538 -5.096 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.546 -10.877 -3.750 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.726 -12.801 -2.470 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -1.612 -13.064 -4.226 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.152 -12.664 -3.290 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.543 -10.558 -1.529 1.00 0.21 H new ATOM 0 HG22 VAL A 134 0.044 -10.300 -2.290 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.283 -9.153 -2.590 1.00 0.21 H new ATOM 1677 N LYS A 135 1.319 -9.422 -4.631 1.00 0.19 N ATOM 1678 CA LYS A 135 2.757 -9.331 -4.538 1.00 0.21 C ATOM 1679 C LYS A 135 3.159 -8.390 -3.423 1.00 0.17 C ATOM 1680 O LYS A 135 4.344 -8.207 -3.154 1.00 0.18 O ATOM 1681 CB LYS A 135 3.357 -8.874 -5.867 1.00 0.29 C ATOM 1682 CG LYS A 135 2.728 -7.613 -6.420 1.00 0.34 C ATOM 1683 CD LYS A 135 1.510 -7.914 -7.275 1.00 0.29 C ATOM 1684 CE LYS A 135 1.707 -7.439 -8.705 1.00 0.52 C ATOM 1685 NZ LYS A 135 2.974 -7.938 -9.299 1.00 1.03 N ATOM 0 H LYS A 135 0.830 -8.527 -4.606 1.00 0.19 H new ATOM 0 HA LYS A 135 3.147 -10.323 -4.310 1.00 0.21 H new ATOM 0 HB2 LYS A 135 4.426 -8.707 -5.734 1.00 0.29 H new ATOM 0 HB3 LYS A 135 3.248 -9.674 -6.599 1.00 0.29 H new ATOM 0 HG2 LYS A 135 2.440 -6.960 -5.596 1.00 0.34 H new ATOM 0 HG3 LYS A 135 3.464 -7.071 -7.015 1.00 0.34 H new ATOM 0 HD2 LYS A 135 1.315 -8.986 -7.270 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.633 -7.429 -6.846 1.00 0.29 H new ATOM 0 HE2 LYS A 135 0.867 -7.773 -9.315 1.00 0.52 H new ATOM 0 HE3 LYS A 135 1.703 -6.349 -8.727 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 2.890 -7.951 -10.336 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 3.757 -7.312 -9.023 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 3.163 -8.901 -8.955 1.00 1.03 H new ATOM 1699 N LEU A 136 2.168 -7.812 -2.767 1.00 0.14 N ATOM 1700 CA LEU A 136 2.413 -6.906 -1.672 1.00 0.14 C ATOM 1701 C LEU A 136 1.295 -7.035 -0.646 1.00 0.14 C ATOM 1702 O LEU A 136 0.224 -7.538 -0.958 1.00 0.14 O ATOM 1703 CB LEU A 136 2.475 -5.483 -2.204 1.00 0.14 C ATOM 1704 CG LEU A 136 3.580 -4.605 -1.634 1.00 0.13 C ATOM 1705 CD1 LEU A 136 4.952 -5.252 -1.800 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.538 -3.259 -2.325 1.00 0.14 C ATOM 0 H LEU A 136 1.181 -7.959 -2.980 1.00 0.14 H new ATOM 0 HA LEU A 136 3.361 -7.151 -1.194 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.594 -5.526 -3.287 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.517 -5.001 -2.008 1.00 0.14 H new ATOM 0 HG LEU A 136 3.414 -4.478 -0.564 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.716 -4.597 -1.382 1.00 0.16 H new ATOM 0 HD12 LEU A 136 4.969 -6.209 -1.278 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.152 -5.413 -2.859 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.325 -2.620 -1.925 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.690 -3.395 -3.396 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.569 -2.791 -2.152 1.00 0.14 H new ATOM 1718 N LYS A 137 1.563 -6.638 0.586 1.00 0.17 N ATOM 1719 CA LYS A 137 0.541 -6.611 1.627 1.00 0.20 C ATOM 1720 C LYS A 137 0.783 -5.444 2.565 1.00 0.18 C ATOM 1721 O LYS A 137 1.877 -4.891 2.604 1.00 0.22 O ATOM 1722 CB LYS A 137 0.560 -7.897 2.460 1.00 0.31 C ATOM 1723 CG LYS A 137 0.953 -9.146 1.693 1.00 0.35 C ATOM 1724 CD LYS A 137 0.660 -10.409 2.480 1.00 0.28 C ATOM 1725 CE LYS A 137 1.348 -10.384 3.837 1.00 0.31 C ATOM 1726 NZ LYS A 137 1.574 -11.747 4.379 1.00 0.76 N ATOM 0 H LYS A 137 2.484 -6.328 0.895 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.424 -6.513 1.131 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.253 -7.765 3.291 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.430 -8.049 2.891 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.414 -9.175 0.746 1.00 0.35 H new ATOM 0 HG3 LYS A 137 2.016 -9.106 1.454 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.416 -10.514 2.617 1.00 0.28 H new ATOM 0 HD3 LYS A 137 0.996 -11.279 1.915 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.304 -9.868 3.748 1.00 0.31 H new ATOM 0 HE3 LYS A 137 0.741 -9.812 4.539 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 2.045 -11.679 5.304 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 0.661 -12.232 4.490 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 2.175 -12.286 3.723 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.244 -5.069 3.303 1.00 0.18 N ATOM 1741 CA LEU A 138 -0.083 -4.171 4.430 1.00 0.20 C ATOM 1742 C LEU A 138 -0.243 -4.995 5.692 1.00 0.21 C ATOM 1743 O LEU A 138 -1.342 -5.436 6.009 1.00 0.22 O ATOM 1744 CB LEU A 138 -1.089 -3.007 4.411 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.035 -2.058 3.199 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.400 -1.681 2.827 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.761 -2.659 2.010 1.00 0.17 C ATOM 0 H LEU A 138 -1.204 -5.374 3.141 1.00 0.18 H new ATOM 0 HA LEU A 138 0.904 -3.710 4.381 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -2.094 -3.426 4.469 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -0.938 -2.414 5.313 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.545 -1.139 3.487 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.389 -1.011 1.967 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.875 -1.181 3.671 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.960 -2.582 2.577 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.709 -1.971 1.166 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.291 -3.604 1.737 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -2.804 -2.835 2.272 1.00 0.17 H new ATOM 1759 N ILE A 139 0.878 -5.191 6.385 1.00 0.27 N ATOM 1760 CA ILE A 139 1.009 -6.101 7.520 1.00 0.30 C ATOM 1761 C ILE A 139 1.108 -7.548 7.039 1.00 0.37 C ATOM 1762 O ILE A 139 0.474 -7.936 6.057 1.00 0.42 O ATOM 1763 CB ILE A 139 -0.140 -6.031 8.540 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.663 -4.617 8.756 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.363 -6.581 9.848 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.082 -4.616 9.249 1.00 0.41 C ATOM 0 H ILE A 139 1.747 -4.705 6.164 1.00 0.27 H new ATOM 0 HA ILE A 139 1.918 -5.773 8.025 1.00 0.30 H new ATOM 0 HB ILE A 139 -0.973 -6.615 8.148 1.00 0.27 H new ATOM 0 HG12 ILE A 139 -0.028 -4.101 9.476 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.603 -4.060 7.821 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.435 -6.542 10.590 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.680 -7.615 9.710 1.00 0.35 H new ATOM 0 HG23 ILE A 139 1.208 -5.985 10.193 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.417 -3.589 9.390 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.722 -5.109 8.517 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -2.138 -5.150 10.198 1.00 0.41 H new ATOM 1847 N GLU B 554 -15.381 -6.941 2.703 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.794 -8.109 2.053 1.00 0.33 C ATOM 1849 C GLU B 554 -13.620 -8.654 2.883 1.00 0.35 C ATOM 1850 O GLU B 554 -13.391 -8.185 3.996 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.364 -7.684 0.648 1.00 0.32 C ATOM 1852 CG GLU B 554 -14.050 -8.814 -0.308 1.00 0.29 C ATOM 1853 CD GLU B 554 -14.981 -10.001 -0.177 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -16.123 -9.932 -0.670 1.00 0.65 O ATOM 1855 OE2 GLU B 554 -14.556 -11.014 0.415 1.00 0.63 O ATOM 0 HA GLU B 554 -15.516 -8.922 1.978 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -15.156 -7.074 0.214 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -13.483 -7.049 0.734 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -14.098 -8.437 -1.330 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -13.026 -9.147 -0.139 1.00 0.29 H new ATOM 1862 N THR B 555 -12.908 -9.645 2.344 1.00 0.33 N ATOM 1863 CA THR B 555 -11.709 -10.208 2.966 1.00 0.35 C ATOM 1864 C THR B 555 -10.772 -9.080 3.410 1.00 0.34 C ATOM 1865 O THR B 555 -10.141 -9.134 4.463 1.00 0.45 O ATOM 1866 CB THR B 555 -11.018 -11.162 1.951 1.00 0.36 C ATOM 1867 OG1 THR B 555 -9.886 -11.823 2.520 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.590 -10.409 0.702 1.00 0.30 C ATOM 0 H THR B 555 -13.150 -10.083 1.455 1.00 0.33 H new ATOM 0 HA THR B 555 -11.976 -10.780 3.855 1.00 0.35 H new ATOM 0 HB THR B 555 -11.755 -11.919 1.683 1.00 0.36 H new ATOM 0 HG1 THR B 555 -9.317 -12.173 1.803 1.00 0.45 H new ATOM 0 HG21 THR B 555 -10.109 -11.099 0.008 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.465 -9.967 0.226 1.00 0.30 H new ATOM 0 HG23 THR B 555 -9.888 -9.621 0.975 1.00 0.30 H new ATOM 1876 N THR B 556 -10.732 -8.037 2.606 1.00 0.26 N ATOM 1877 CA THR B 556 -10.071 -6.807 2.967 1.00 0.23 C ATOM 1878 C THR B 556 -10.893 -5.650 2.448 1.00 0.21 C ATOM 1879 O THR B 556 -11.272 -4.747 3.191 1.00 0.22 O ATOM 1880 CB THR B 556 -8.674 -6.703 2.348 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.854 -7.800 2.750 1.00 0.24 O ATOM 1882 CG2 THR B 556 -8.021 -5.397 2.745 1.00 0.20 C ATOM 0 H THR B 556 -11.160 -8.022 1.680 1.00 0.26 H new ATOM 0 HA THR B 556 -9.973 -6.786 4.052 1.00 0.23 H new ATOM 0 HB THR B 556 -8.781 -6.733 1.264 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.346 -7.552 3.550 1.00 0.24 H new ATOM 0 HG21 THR B 556 -7.029 -5.336 2.298 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.629 -4.564 2.393 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.934 -5.349 3.830 1.00 0.20 H new ATOM 1890 N LEU B 557 -11.176 -5.730 1.152 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.933 -4.728 0.436 1.00 0.19 C ATOM 1892 C LEU B 557 -11.113 -3.463 0.272 1.00 0.17 C ATOM 1893 O LEU B 557 -9.894 -3.532 0.236 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.259 -4.428 1.129 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.452 -4.361 0.194 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.191 -3.067 0.438 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -14.009 -4.510 -1.264 1.00 0.20 C ATOM 0 H LEU B 557 -10.877 -6.510 0.566 1.00 0.20 H new ATOM 0 HA LEU B 557 -12.163 -5.125 -0.553 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.444 -5.195 1.881 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -13.173 -3.478 1.657 1.00 0.21 H new ATOM 0 HG LEU B 557 -15.131 -5.190 0.396 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -16.051 -3.008 -0.229 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.531 -3.032 1.473 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.525 -2.226 0.246 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.881 -4.459 -1.916 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.318 -3.706 -1.518 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.512 -5.471 -1.397 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.806 -2.327 0.193 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.195 -1.014 -0.031 1.00 0.18 C ATOM 1911 C LEU B 558 -11.099 -0.748 -1.519 1.00 0.19 C ATOM 1912 O LEU B 558 -10.055 -0.382 -2.053 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.823 -0.864 0.660 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.848 -0.705 2.185 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.807 -1.679 2.831 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.458 -0.902 2.753 1.00 0.16 C ATOM 0 H LEU B 558 -12.821 -2.291 0.284 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.839 -0.264 0.428 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.219 -1.738 0.416 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.317 0.002 0.233 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.193 0.305 2.406 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.797 -1.536 3.912 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.814 -1.505 2.451 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.502 -2.699 2.597 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.488 -0.787 3.836 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -8.102 -1.902 2.504 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.783 -0.160 2.328 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.234 -0.941 -2.169 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.365 -0.726 -3.600 1.00 0.21 C ATOM 1930 C GLU B 559 -13.032 0.612 -3.862 1.00 0.24 C ATOM 1931 O GLU B 559 -13.115 1.085 -4.994 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.172 -1.861 -4.224 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.437 -3.184 -4.251 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.203 -4.260 -4.993 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.366 -4.527 -4.629 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -12.659 -4.834 -5.955 1.00 0.38 O ATOM 0 H GLU B 559 -13.094 -1.252 -1.717 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.375 -0.715 -4.055 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.102 -1.983 -3.668 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.444 -1.585 -5.243 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.464 -3.045 -4.722 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -12.252 -3.514 -3.229 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.500 1.205 -2.782 1.00 0.25 N ATOM 1944 CA ASP B 560 -14.079 2.538 -2.799 1.00 0.31 C ATOM 1945 C ASP B 560 -13.408 3.329 -1.704 1.00 0.25 C ATOM 1946 O ASP B 560 -12.966 2.733 -0.728 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.584 2.529 -2.505 1.00 0.45 C ATOM 1948 CG ASP B 560 -16.317 1.340 -3.084 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -16.603 1.344 -4.298 1.00 0.90 O ATOM 1950 OD2 ASP B 560 -16.640 0.411 -2.310 1.00 0.95 O ATOM 0 H ASP B 560 -13.490 0.773 -1.858 1.00 0.25 H new ATOM 0 HA ASP B 560 -13.931 2.964 -3.792 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -15.733 2.544 -1.425 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -16.026 3.443 -2.900 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.330 4.642 -1.832 1.00 0.26 N ATOM 1956 CA GLU B 561 -12.763 5.452 -0.763 1.00 0.26 C ATOM 1957 C GLU B 561 -13.574 5.253 0.510 1.00 0.26 C ATOM 1958 O GLU B 561 -13.026 4.996 1.578 1.00 0.29 O ATOM 1959 CB GLU B 561 -12.747 6.928 -1.148 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.013 7.795 -0.146 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.166 9.277 -0.429 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -11.852 9.710 -1.556 1.00 0.69 O ATOM 1963 OE2 GLU B 561 -12.616 10.014 0.476 1.00 0.68 O ATOM 0 H GLU B 561 -13.645 5.165 -2.649 1.00 0.26 H new ATOM 0 HA GLU B 561 -11.734 5.135 -0.593 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.279 7.037 -2.126 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -13.773 7.283 -1.244 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -12.386 7.580 0.855 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -10.954 7.535 -0.154 1.00 0.35 H new ATOM 1970 N LYS B 562 -14.888 5.329 0.359 1.00 0.30 N ATOM 1971 CA LYS B 562 -15.823 5.143 1.460 1.00 0.39 C ATOM 1972 C LYS B 562 -15.544 3.850 2.224 1.00 0.34 C ATOM 1973 O LYS B 562 -15.445 3.853 3.442 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.244 5.098 0.896 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.344 5.028 1.944 1.00 0.74 C ATOM 1976 CD LYS B 562 -18.403 6.284 2.799 1.00 1.73 C ATOM 1977 CE LYS B 562 -17.916 6.022 4.212 1.00 2.39 C ATOM 1978 NZ LYS B 562 -18.693 4.939 4.866 1.00 3.03 N ATOM 0 H LYS B 562 -15.339 5.522 -0.535 1.00 0.30 H new ATOM 0 HA LYS B 562 -15.707 5.975 2.155 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.404 5.983 0.280 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.332 4.233 0.239 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -19.305 4.881 1.451 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -18.179 4.162 2.585 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -17.794 7.064 2.343 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -19.427 6.656 2.830 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -16.861 5.751 4.189 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -17.998 6.936 4.801 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -19.249 5.336 5.651 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -19.335 4.505 4.172 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -18.041 4.217 5.234 1.00 3.03 H new ATOM 1992 N SER B 563 -15.358 2.765 1.491 1.00 0.27 N ATOM 1993 CA SER B 563 -15.151 1.454 2.092 1.00 0.24 C ATOM 1994 C SER B 563 -13.707 1.282 2.535 1.00 0.21 C ATOM 1995 O SER B 563 -13.386 0.410 3.340 1.00 0.20 O ATOM 1996 CB SER B 563 -15.528 0.369 1.088 1.00 0.27 C ATOM 1997 OG SER B 563 -16.793 0.639 0.507 1.00 0.91 O ATOM 0 H SER B 563 -15.346 2.765 0.471 1.00 0.27 H new ATOM 0 HA SER B 563 -15.786 1.369 2.974 1.00 0.24 H new ATOM 0 HB2 SER B 563 -14.769 0.310 0.308 1.00 0.27 H new ATOM 0 HB3 SER B 563 -15.550 -0.601 1.585 1.00 0.27 H new ATOM 0 HG SER B 563 -16.729 0.559 -0.468 1.00 0.91 H new ATOM 2003 N LEU B 564 -12.850 2.132 2.006 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.430 2.053 2.250 1.00 0.19 C ATOM 2005 C LEU B 564 -11.156 2.708 3.583 1.00 0.21 C ATOM 2006 O LEU B 564 -10.513 2.139 4.460 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.670 2.783 1.146 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.204 2.382 0.950 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.584 3.209 -0.140 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.381 2.548 2.203 1.00 0.18 C ATOM 0 H LEU B 564 -13.124 2.899 1.392 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.102 1.013 2.261 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.197 2.623 0.205 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.707 3.852 1.355 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.206 1.325 0.683 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.542 2.916 -0.271 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.126 3.048 -1.072 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.633 4.264 0.131 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.352 2.249 2.005 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.402 3.592 2.516 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.794 1.923 2.995 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.691 3.907 3.732 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.513 4.659 4.948 1.00 0.26 C ATOM 2024 C VAL B 565 -12.332 4.058 6.063 1.00 0.28 C ATOM 2025 O VAL B 565 -11.890 4.052 7.191 1.00 0.32 O ATOM 2026 CB VAL B 565 -11.858 6.145 4.756 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.299 6.593 3.434 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.356 6.403 4.820 1.00 0.30 C ATOM 0 H VAL B 565 -12.252 4.376 3.021 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.459 4.604 5.220 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.413 6.716 5.571 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.533 7.646 3.278 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.217 6.457 3.432 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -11.741 6.001 2.633 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.548 7.467 4.679 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -13.857 5.836 4.035 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -13.738 6.091 5.792 1.00 0.30 H new ATOM 2038 N SER B 566 -13.504 3.512 5.738 1.00 0.28 N ATOM 2039 CA SER B 566 -14.316 2.799 6.720 1.00 0.30 C ATOM 2040 C SER B 566 -13.527 1.650 7.323 1.00 0.30 C ATOM 2041 O SER B 566 -13.813 1.176 8.421 1.00 0.35 O ATOM 2042 CB SER B 566 -15.586 2.265 6.067 1.00 0.31 C ATOM 2043 OG SER B 566 -16.541 3.296 5.891 1.00 0.75 O ATOM 0 H SER B 566 -13.911 3.551 4.803 1.00 0.28 H new ATOM 0 HA SER B 566 -14.589 3.496 7.513 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.343 1.821 5.101 1.00 0.31 H new ATOM 0 HB3 SER B 566 -16.011 1.473 6.684 1.00 0.31 H new ATOM 0 HG SER B 566 -16.312 3.822 5.097 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.521 1.225 6.587 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.662 0.140 6.997 1.00 0.25 C ATOM 2051 C TYR B 567 -10.430 0.684 7.699 1.00 0.26 C ATOM 2052 O TYR B 567 -9.840 0.018 8.533 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.262 -0.640 5.762 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.417 -1.854 6.026 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -10.997 -3.089 6.269 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.037 -1.754 6.056 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.217 -4.194 6.533 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.249 -2.852 6.320 1.00 0.25 C ATOM 2059 CZ TYR B 567 -8.875 -4.113 6.471 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.065 -5.176 6.821 1.00 0.29 O ATOM 0 H TYR B 567 -12.277 1.627 5.682 1.00 0.26 H new ATOM 0 HA TYR B 567 -12.188 -0.511 7.695 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.166 -0.951 5.238 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -10.718 0.025 5.091 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.072 -3.187 6.251 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.570 -0.798 5.869 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -10.686 -5.132 6.792 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.177 -2.753 6.410 1.00 0.25 H new ATOM 0 HH TYR B 567 -7.125 -4.922 6.708 1.00 0.29 H new ATOM 2070 N LEU B 568 -10.035 1.889 7.321 1.00 0.26 N ATOM 2071 CA LEU B 568 -8.850 2.530 7.870 1.00 0.29 C ATOM 2072 C LEU B 568 -9.138 3.318 9.141 1.00 0.35 C ATOM 2073 O LEU B 568 -8.340 3.316 10.072 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.289 3.471 6.834 1.00 0.28 C ATOM 2075 CG LEU B 568 -7.158 2.929 5.985 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.401 1.483 5.582 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -7.046 3.801 4.769 1.00 0.26 C ATOM 0 H LEU B 568 -10.526 2.450 6.625 1.00 0.26 H new ATOM 0 HA LEU B 568 -8.141 1.743 8.128 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -9.100 3.775 6.172 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -7.937 4.369 7.341 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.231 2.942 6.559 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.568 1.130 4.974 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.485 0.865 6.476 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.324 1.416 5.007 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.238 3.438 4.134 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -7.984 3.774 4.214 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -6.834 4.826 5.074 1.00 0.26 H new ATOM 2089 N ASN B 569 -10.270 4.004 9.173 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.595 4.881 10.299 1.00 0.46 C ATOM 2091 C ASN B 569 -11.252 4.091 11.426 1.00 0.50 C ATOM 2092 O ASN B 569 -11.874 4.657 12.327 1.00 0.74 O ATOM 2093 CB ASN B 569 -11.494 6.050 9.854 1.00 0.52 C ATOM 2094 CG ASN B 569 -12.973 5.701 9.733 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -13.830 6.540 10.020 1.00 0.68 O ATOM 2096 ND2 ASN B 569 -13.286 4.512 9.244 1.00 0.44 N ATOM 0 H ASN B 569 -10.978 3.974 8.440 1.00 0.38 H new ATOM 0 HA ASN B 569 -9.663 5.303 10.675 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -11.384 6.868 10.566 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -11.140 6.417 8.890 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -14.264 4.264 9.093 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -12.549 3.843 9.018 1.00 0.44 H new ATOM 2103 N TYR B 570 -11.093 2.780 11.356 1.00 0.50 N ATOM 2104 CA TYR B 570 -11.628 1.869 12.353 1.00 0.59 C ATOM 2105 C TYR B 570 -11.042 2.177 13.731 1.00 0.90 C ATOM 2106 O TYR B 570 -11.782 2.060 14.732 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.340 0.414 11.950 1.00 0.39 C ATOM 2108 CG TYR B 570 -9.876 0.023 12.013 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -8.966 0.474 11.065 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.408 -0.802 13.025 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.634 0.114 11.125 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -8.079 -1.167 13.094 1.00 0.87 C ATOM 2113 CZ TYR B 570 -7.195 -0.707 12.143 1.00 0.79 C ATOM 2114 OH TYR B 570 -5.867 -1.077 12.211 1.00 1.04 O ATOM 2115 OXT TYR B 570 -9.856 2.578 13.805 1.00 1.66 O ATOM 0 H TYR B 570 -10.587 2.316 10.602 1.00 0.50 H new ATOM 0 HA TYR B 570 -12.708 2.005 12.407 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.909 -0.250 12.601 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.703 0.253 10.935 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.306 1.117 10.267 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -10.097 -1.166 13.773 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -6.940 0.473 10.379 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.734 -1.810 13.890 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.466 -1.022 11.318 1.00 1.04 H new