USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=37 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: A 86 ASN : amide:sc= -0.779 K(o=-0.66,f=-2.4!) USER MOD Set 1.2: A 112 LYS NZ :NH3+ -128:sc= 0.114 (180deg=0) USER MOD Set 2.1: A 50 ASN : amide:sc= 0.951 K(o=2.1,f=-3) USER MOD Set 2.2: A 68 LYS NZ :NH3+ -155:sc= 1.12 (180deg=0) USER MOD Set 3.1: A 62 SER OG : rot -101:sc= -1.14! USER MOD Set 3.2: A 64 ASN :FLIP amide:sc= 0.0916 F(o=-5!,f=-1) USER MOD Set 4.1: A 61 LYS NZ :NH3+ -117:sc= 1.18 (180deg=-0.339) USER MOD Set 4.2: A 76 TYR OH : rot 32:sc= 1.27 USER MOD Set 5.1: A 57 ASN : amide:sc= 0.0103 K(o=-2.5,f=-3.1) USER MOD Set 5.2: A 60 ASN : amide:sc= -2.52! C(o=-2.5!,f=-9.8!) USER MOD Set 6.1: A 55 SER OG : rot -56:sc= 2.34 USER MOD Set 6.2: A 66 TYR OH : rot 42:sc= 1.27 USER MOD Single : A 34 LYS NZ :NH3+ -110:sc= 0.594 (180deg=0.00173) USER MOD Single : A 37 HIS : no HE2:sc= -0.641 K(o=-0.64,f=-3.8!) USER MOD Single : A 42 SER OG : rot 155:sc= -2.9! USER MOD Single : A 43 LYS NZ :NH3+ 170:sc=-0.000464 (180deg=-0.139) USER MOD Single : A 45 TYR OH : rot 30:sc= -0.425 USER MOD Single : A 47 SER OG : rot 180:sc= -0.0826 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0695 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 160:sc= -1.8! USER MOD Single : A 71 SER OG : rot 3:sc= 0.332 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0617 K(o=-0.062,f=-1.8!) USER MOD Single : A 82 LYS NZ :NH3+ 160:sc= 0.497 (180deg=-0.0629) USER MOD Single : A 84 MET CE :methyl 166:sc=-0.00869 (180deg=-0.391) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN :FLIP amide:sc= -1.87 F(o=-6.3!,f=-1.9) USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= 1.21 (180deg=1.1) USER MOD Single : A 106 LYS NZ :NH3+ -178:sc= 1.17 (180deg=1.13) USER MOD Single : A 109 SER OG : rot -82:sc= 0.834 USER MOD Single : A 110 MET CE :methyl -177:sc= -7.77! (180deg=-7.96!) USER MOD Single : A 118 LYS NZ :NH3+ -139:sc= -0.0262 (180deg=-0.565) USER MOD Single : A 125 THR OG1 : rot 38:sc= 0.096 USER MOD Single : A 130 LYS NZ :NH3+ -160:sc= 1.15 (180deg=0.977) USER MOD Single : A 135 LYS NZ :NH3+ 179:sc= -0.131 (180deg=-0.136) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= -0.0881 (180deg=-0.0881) USER MOD Single : B 555 THR OG1 : rot -164:sc= 0.155 USER MOD Single : B 556 THR OG1 : rot -90:sc= 0.724 USER MOD Single : B 562 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 563 SER OG : rot 180:sc= 0.0304 USER MOD Single : B 566 SER OG : rot 180:sc= 0 USER MOD Single : B 567 TYR OH : rot -55:sc= -0.201 USER MOD Single : B 569 ASN :FLIP amide:sc= -0.816 F(o=-2.5!,f=-0.82) USER MOD Single : B 570 TYR OH : rot -24:sc= 0.654 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -1.766 6.009 9.733 1.00 0.62 N ATOM 77 CA LYS A 34 -2.038 4.637 10.010 1.00 0.54 C ATOM 78 C LYS A 34 -0.841 3.783 9.603 1.00 0.43 C ATOM 79 O LYS A 34 -0.477 3.742 8.430 1.00 0.53 O ATOM 80 CB LYS A 34 -3.277 4.268 9.214 1.00 0.66 C ATOM 81 CG LYS A 34 -4.045 3.116 9.802 1.00 0.83 C ATOM 82 CD LYS A 34 -4.707 3.478 11.119 1.00 0.84 C ATOM 83 CE LYS A 34 -5.444 2.282 11.693 1.00 0.90 C ATOM 84 NZ LYS A 34 -6.128 2.598 12.976 1.00 1.23 N ATOM 0 HA LYS A 34 -2.210 4.465 11.073 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -3.932 5.137 9.152 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -2.983 4.017 8.195 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -4.806 2.790 9.093 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -3.371 2.274 9.956 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -3.954 3.823 11.828 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -5.403 4.303 10.968 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -6.180 1.931 10.969 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -4.739 1.466 11.852 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -5.643 2.112 13.757 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -6.104 3.625 13.139 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -7.116 2.278 12.930 1.00 1.23 H new ATOM 98 N GLU A 35 -0.225 3.120 10.572 1.00 0.43 N ATOM 99 CA GLU A 35 0.997 2.362 10.321 1.00 0.48 C ATOM 100 C GLU A 35 0.715 1.051 9.600 1.00 0.40 C ATOM 101 O GLU A 35 0.327 0.059 10.218 1.00 0.55 O ATOM 102 CB GLU A 35 1.732 2.069 11.630 1.00 0.75 C ATOM 103 CG GLU A 35 2.119 3.308 12.413 1.00 1.06 C ATOM 104 CD GLU A 35 2.971 2.980 13.623 1.00 1.35 C ATOM 105 OE1 GLU A 35 2.528 2.178 14.468 1.00 1.86 O ATOM 106 OE2 GLU A 35 4.097 3.508 13.725 1.00 1.83 O ATOM 0 H GLU A 35 -0.549 3.090 11.539 1.00 0.43 H new ATOM 0 HA GLU A 35 1.625 2.980 9.679 1.00 0.48 H new ATOM 0 HB2 GLU A 35 1.100 1.439 12.256 1.00 0.75 H new ATOM 0 HB3 GLU A 35 2.633 1.496 11.408 1.00 0.75 H new ATOM 0 HG2 GLU A 35 2.664 3.991 11.762 1.00 1.06 H new ATOM 0 HG3 GLU A 35 1.217 3.827 12.736 1.00 1.06 H new ATOM 113 N TRP A 36 0.910 1.051 8.292 1.00 0.28 N ATOM 114 CA TRP A 36 0.853 -0.175 7.518 1.00 0.25 C ATOM 115 C TRP A 36 2.261 -0.550 7.058 1.00 0.26 C ATOM 116 O TRP A 36 2.898 0.204 6.328 1.00 0.40 O ATOM 117 CB TRP A 36 -0.050 -0.014 6.289 1.00 0.26 C ATOM 118 CG TRP A 36 -1.442 0.482 6.576 1.00 0.19 C ATOM 119 CD1 TRP A 36 -1.978 1.670 6.175 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.475 -0.192 7.307 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.283 1.767 6.594 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.607 0.644 7.294 1.00 0.27 C ATOM 123 CE3 TRP A 36 -2.559 -1.417 7.965 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.802 0.298 7.910 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -3.748 -1.761 8.582 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.856 -0.906 8.549 1.00 1.19 C ATOM 0 H TRP A 36 1.109 1.888 7.744 1.00 0.28 H new ATOM 0 HA TRP A 36 0.439 -0.959 8.152 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.428 0.677 5.595 1.00 0.26 H new ATOM 0 HB3 TRP A 36 -0.122 -0.976 5.782 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.453 2.426 5.610 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -3.908 2.552 6.411 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -1.711 -2.086 7.993 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.657 0.957 7.884 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -3.823 -2.706 9.099 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -5.771 -1.205 9.039 1.00 1.19 H new ATOM 137 N HIS A 37 2.758 -1.702 7.491 1.00 0.25 N ATOM 138 CA HIS A 37 4.083 -2.159 7.064 1.00 0.25 C ATOM 139 C HIS A 37 3.961 -2.931 5.763 1.00 0.24 C ATOM 140 O HIS A 37 3.290 -3.952 5.716 1.00 0.30 O ATOM 141 CB HIS A 37 4.738 -3.049 8.126 1.00 0.29 C ATOM 142 CG HIS A 37 5.055 -2.349 9.409 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.292 -1.811 9.697 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.286 -2.117 10.497 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.268 -1.283 10.906 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.061 -1.453 11.412 1.00 0.56 N ATOM 0 H HIS A 37 2.274 -2.333 8.130 1.00 0.25 H new ATOM 0 HA HIS A 37 4.713 -1.281 6.920 1.00 0.25 H new ATOM 0 HB2 HIS A 37 4.075 -3.888 8.338 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.658 -3.465 7.716 1.00 0.29 H new ATOM 0 HD1 HIS A 37 7.099 -1.820 9.073 1.00 0.61 H new ATOM 0 HD2 HIS A 37 3.252 -2.402 10.622 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.096 -0.794 11.398 1.00 0.51 H new ATOM 155 N ILE A 38 4.595 -2.448 4.708 1.00 0.20 N ATOM 156 CA ILE A 38 4.456 -3.081 3.406 1.00 0.20 C ATOM 157 C ILE A 38 5.242 -4.386 3.331 1.00 0.21 C ATOM 158 O ILE A 38 6.438 -4.435 3.633 1.00 0.27 O ATOM 159 CB ILE A 38 4.885 -2.145 2.262 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.150 -0.817 2.374 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.570 -2.779 0.924 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.659 0.246 1.429 1.00 0.20 C ATOM 0 H ILE A 38 5.204 -1.630 4.725 1.00 0.20 H new ATOM 0 HA ILE A 38 3.396 -3.305 3.284 1.00 0.20 H new ATOM 0 HB ILE A 38 5.959 -1.974 2.336 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.090 -0.982 2.182 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.235 -0.451 3.397 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.878 -2.108 0.122 1.00 0.21 H new ATOM 0 HG22 ILE A 38 5.107 -3.723 0.833 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.498 -2.963 0.852 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.085 1.162 1.569 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.711 0.442 1.634 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.548 -0.098 0.401 1.00 0.20 H new ATOM 174 N VAL A 39 4.540 -5.435 2.939 1.00 0.19 N ATOM 175 CA VAL A 39 5.109 -6.769 2.813 1.00 0.18 C ATOM 176 C VAL A 39 5.151 -7.193 1.354 1.00 0.16 C ATOM 177 O VAL A 39 4.185 -7.002 0.634 1.00 0.18 O ATOM 178 CB VAL A 39 4.253 -7.803 3.567 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.796 -9.208 3.383 1.00 0.23 C ATOM 180 CG2 VAL A 39 4.128 -7.456 5.030 1.00 0.26 C ATOM 0 H VAL A 39 3.550 -5.386 2.697 1.00 0.19 H new ATOM 0 HA VAL A 39 6.114 -6.732 3.233 1.00 0.18 H new ATOM 0 HB VAL A 39 3.253 -7.774 3.135 1.00 0.20 H new ATOM 0 HG11 VAL A 39 4.170 -9.914 3.928 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.794 -9.463 2.323 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.815 -9.257 3.766 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.517 -8.207 5.531 1.00 0.26 H new ATOM 0 HG22 VAL A 39 5.119 -7.432 5.484 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.658 -6.478 5.133 1.00 0.26 H new ATOM 190 N PRO A 40 6.258 -7.765 0.895 1.00 0.14 N ATOM 191 CA PRO A 40 6.340 -8.343 -0.439 1.00 0.14 C ATOM 192 C PRO A 40 5.798 -9.772 -0.470 1.00 0.16 C ATOM 193 O PRO A 40 6.184 -10.610 0.347 1.00 0.28 O ATOM 194 CB PRO A 40 7.840 -8.336 -0.742 1.00 0.17 C ATOM 195 CG PRO A 40 8.524 -7.789 0.478 1.00 0.15 C ATOM 196 CD PRO A 40 7.532 -7.874 1.601 1.00 0.14 C ATOM 0 HA PRO A 40 5.747 -7.788 -1.166 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.194 -9.342 -0.966 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.056 -7.720 -1.615 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.421 -8.363 0.709 1.00 0.15 H new ATOM 0 HG3 PRO A 40 8.839 -6.758 0.316 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.615 -8.813 2.148 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.667 -7.070 2.325 1.00 0.14 H new ATOM 204 N VAL A 41 4.895 -10.047 -1.403 1.00 0.14 N ATOM 205 CA VAL A 41 4.333 -11.386 -1.542 1.00 0.16 C ATOM 206 C VAL A 41 5.076 -12.176 -2.613 1.00 0.18 C ATOM 207 O VAL A 41 5.484 -13.313 -2.386 1.00 0.23 O ATOM 208 CB VAL A 41 2.828 -11.367 -1.910 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.293 -12.783 -2.058 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.010 -10.608 -0.880 1.00 0.20 C ATOM 0 H VAL A 41 4.537 -9.365 -2.072 1.00 0.14 H new ATOM 0 HA VAL A 41 4.447 -11.861 -0.568 1.00 0.16 H new ATOM 0 HB VAL A 41 2.734 -10.850 -2.865 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.235 -12.747 -2.316 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.842 -13.299 -2.846 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.419 -13.320 -1.118 1.00 0.21 H new ATOM 0 HG21 VAL A 41 0.960 -10.616 -1.172 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.120 -11.084 0.094 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.363 -9.578 -0.822 1.00 0.20 H new ATOM 220 N SER A 42 5.251 -11.567 -3.778 1.00 0.19 N ATOM 221 CA SER A 42 5.810 -12.259 -4.916 1.00 0.25 C ATOM 222 C SER A 42 7.333 -12.223 -4.910 1.00 0.24 C ATOM 223 O SER A 42 7.956 -11.407 -4.223 1.00 0.35 O ATOM 224 CB SER A 42 5.277 -11.628 -6.198 1.00 0.34 C ATOM 225 OG SER A 42 5.628 -10.263 -6.279 1.00 1.08 O ATOM 0 H SER A 42 5.011 -10.591 -3.953 1.00 0.19 H new ATOM 0 HA SER A 42 5.510 -13.305 -4.860 1.00 0.25 H new ATOM 0 HB2 SER A 42 5.675 -12.161 -7.062 1.00 0.34 H new ATOM 0 HB3 SER A 42 4.192 -11.730 -6.233 1.00 0.34 H new ATOM 0 HG SER A 42 5.647 -9.985 -7.219 1.00 1.08 H new ATOM 231 N LYS A 43 7.917 -13.110 -5.701 1.00 0.28 N ATOM 232 CA LYS A 43 9.365 -13.233 -5.826 1.00 0.31 C ATOM 233 C LYS A 43 9.996 -11.955 -6.368 1.00 0.26 C ATOM 234 O LYS A 43 11.146 -11.638 -6.058 1.00 0.32 O ATOM 235 CB LYS A 43 9.689 -14.406 -6.752 1.00 0.42 C ATOM 236 CG LYS A 43 8.991 -14.313 -8.100 1.00 1.02 C ATOM 237 CD LYS A 43 9.039 -15.629 -8.847 1.00 1.41 C ATOM 238 CE LYS A 43 8.276 -15.545 -10.156 1.00 2.09 C ATOM 239 NZ LYS A 43 8.882 -14.566 -11.095 1.00 2.95 N ATOM 0 H LYS A 43 7.398 -13.770 -6.279 1.00 0.28 H new ATOM 0 HA LYS A 43 9.781 -13.409 -4.834 1.00 0.31 H new ATOM 0 HB2 LYS A 43 10.767 -14.449 -6.910 1.00 0.42 H new ATOM 0 HB3 LYS A 43 9.401 -15.337 -6.264 1.00 0.42 H new ATOM 0 HG2 LYS A 43 7.953 -14.016 -7.953 1.00 1.02 H new ATOM 0 HG3 LYS A 43 9.463 -13.536 -8.701 1.00 1.02 H new ATOM 0 HD2 LYS A 43 10.076 -15.901 -9.044 1.00 1.41 H new ATOM 0 HD3 LYS A 43 8.615 -16.418 -8.226 1.00 1.41 H new ATOM 0 HE2 LYS A 43 8.252 -16.529 -10.625 1.00 2.09 H new ATOM 0 HE3 LYS A 43 7.243 -15.262 -9.955 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 8.438 -14.661 -12.030 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 8.731 -13.602 -10.736 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 9.903 -14.749 -11.176 1.00 2.95 H new ATOM 253 N ASP A 44 9.229 -11.224 -7.166 1.00 0.23 N ATOM 254 CA ASP A 44 9.725 -10.020 -7.828 1.00 0.21 C ATOM 255 C ASP A 44 9.861 -8.869 -6.839 1.00 0.17 C ATOM 256 O ASP A 44 10.594 -7.910 -7.085 1.00 0.18 O ATOM 257 CB ASP A 44 8.778 -9.607 -8.958 1.00 0.25 C ATOM 258 CG ASP A 44 9.488 -8.916 -10.096 1.00 0.39 C ATOM 259 OD1 ASP A 44 10.604 -9.352 -10.447 1.00 0.44 O ATOM 260 OD2 ASP A 44 8.951 -7.924 -10.625 1.00 0.97 O ATOM 0 H ASP A 44 8.255 -11.444 -7.373 1.00 0.23 H new ATOM 0 HA ASP A 44 10.708 -10.247 -8.240 1.00 0.21 H new ATOM 0 HB2 ASP A 44 8.267 -10.491 -9.339 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.011 -8.943 -8.558 1.00 0.25 H new ATOM 265 N TYR A 45 9.151 -8.967 -5.722 1.00 0.15 N ATOM 266 CA TYR A 45 9.124 -7.896 -4.734 1.00 0.13 C ATOM 267 C TYR A 45 9.863 -8.290 -3.465 1.00 0.15 C ATOM 268 O TYR A 45 9.971 -7.496 -2.544 1.00 0.15 O ATOM 269 CB TYR A 45 7.679 -7.514 -4.395 1.00 0.12 C ATOM 270 CG TYR A 45 6.945 -6.837 -5.531 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.639 -7.533 -6.690 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.562 -5.506 -5.443 1.00 0.21 C ATOM 273 CE1 TYR A 45 5.974 -6.927 -7.736 1.00 0.29 C ATOM 274 CE2 TYR A 45 5.891 -4.892 -6.486 1.00 0.25 C ATOM 275 CZ TYR A 45 5.602 -5.609 -7.631 1.00 0.27 C ATOM 276 OH TYR A 45 4.946 -5.004 -8.680 1.00 0.35 O ATOM 0 H TYR A 45 8.585 -9.779 -5.477 1.00 0.15 H new ATOM 0 HA TYR A 45 9.630 -7.035 -5.171 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.134 -8.412 -4.106 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.682 -6.851 -3.530 1.00 0.12 H new ATOM 0 HD1 TYR A 45 6.927 -8.570 -6.776 1.00 0.23 H new ATOM 0 HD2 TYR A 45 6.790 -4.943 -4.550 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.747 -7.486 -8.632 1.00 0.29 H new ATOM 0 HE2 TYR A 45 5.594 -3.857 -6.405 1.00 0.25 H new ATOM 0 HH TYR A 45 4.419 -5.672 -9.165 1.00 0.35 H new ATOM 286 N PHE A 46 10.398 -9.504 -3.417 1.00 0.19 N ATOM 287 CA PHE A 46 11.121 -9.961 -2.227 1.00 0.23 C ATOM 288 C PHE A 46 12.318 -9.064 -1.914 1.00 0.22 C ATOM 289 O PHE A 46 12.887 -9.132 -0.823 1.00 0.26 O ATOM 290 CB PHE A 46 11.586 -11.408 -2.379 1.00 0.28 C ATOM 291 CG PHE A 46 10.515 -12.425 -2.097 1.00 0.36 C ATOM 292 CD1 PHE A 46 9.517 -12.161 -1.174 1.00 0.68 C ATOM 293 CD2 PHE A 46 10.507 -13.646 -2.757 1.00 0.68 C ATOM 294 CE1 PHE A 46 8.531 -13.094 -0.913 1.00 0.74 C ATOM 295 CE2 PHE A 46 9.525 -14.582 -2.498 1.00 0.76 C ATOM 296 CZ PHE A 46 8.538 -14.306 -1.574 1.00 0.57 C ATOM 0 H PHE A 46 10.349 -10.185 -4.175 1.00 0.19 H new ATOM 0 HA PHE A 46 10.420 -9.904 -1.394 1.00 0.23 H new ATOM 0 HB2 PHE A 46 11.956 -11.556 -3.394 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.425 -11.582 -1.706 1.00 0.28 H new ATOM 0 HD1 PHE A 46 9.509 -11.215 -0.652 1.00 0.68 H new ATOM 0 HD2 PHE A 46 11.277 -13.867 -3.481 1.00 0.68 H new ATOM 0 HE1 PHE A 46 7.756 -12.875 -0.193 1.00 0.74 H new ATOM 0 HE2 PHE A 46 9.530 -15.529 -3.018 1.00 0.76 H new ATOM 0 HZ PHE A 46 7.771 -15.038 -1.368 1.00 0.57 H new ATOM 306 N SER A 47 12.686 -8.220 -2.867 1.00 0.19 N ATOM 307 CA SER A 47 13.822 -7.340 -2.723 1.00 0.23 C ATOM 308 C SER A 47 13.447 -6.006 -2.068 1.00 0.17 C ATOM 309 O SER A 47 14.318 -5.177 -1.840 1.00 0.20 O ATOM 310 CB SER A 47 14.420 -7.103 -4.104 1.00 0.31 C ATOM 311 OG SER A 47 13.392 -6.995 -5.079 1.00 1.19 O ATOM 0 H SER A 47 12.201 -8.131 -3.760 1.00 0.19 H new ATOM 0 HA SER A 47 14.549 -7.814 -2.064 1.00 0.23 H new ATOM 0 HB2 SER A 47 15.019 -6.192 -4.096 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.090 -7.923 -4.362 1.00 0.31 H new ATOM 0 HG SER A 47 13.792 -6.841 -5.960 1.00 1.19 H new ATOM 317 N ILE A 48 12.161 -5.800 -1.761 1.00 0.17 N ATOM 318 CA ILE A 48 11.710 -4.541 -1.158 1.00 0.15 C ATOM 319 C ILE A 48 12.480 -4.257 0.144 1.00 0.17 C ATOM 320 O ILE A 48 12.752 -5.177 0.915 1.00 0.20 O ATOM 321 CB ILE A 48 10.171 -4.538 -0.904 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.413 -4.716 -2.223 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.717 -3.257 -0.225 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.188 -3.836 -2.366 1.00 0.21 C ATOM 0 H ILE A 48 11.420 -6.483 -1.919 1.00 0.17 H new ATOM 0 HA ILE A 48 11.923 -3.742 -1.869 1.00 0.15 H new ATOM 0 HB ILE A 48 9.949 -5.373 -0.239 1.00 0.17 H new ATOM 0 HG12 ILE A 48 10.093 -4.508 -3.049 1.00 0.18 H new ATOM 0 HG13 ILE A 48 9.109 -5.759 -2.315 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.639 -3.292 -0.065 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.223 -3.155 0.735 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.962 -2.404 -0.857 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.713 -4.027 -3.328 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.485 -4.058 -1.564 1.00 0.21 H new ATOM 0 HD13 ILE A 48 8.484 -2.788 -2.309 1.00 0.21 H new ATOM 336 N PRO A 49 12.860 -2.975 0.366 1.00 0.16 N ATOM 337 CA PRO A 49 13.773 -2.526 1.439 1.00 0.19 C ATOM 338 C PRO A 49 13.498 -3.003 2.863 1.00 0.15 C ATOM 339 O PRO A 49 12.617 -3.821 3.131 1.00 0.21 O ATOM 340 CB PRO A 49 13.624 -1.001 1.435 1.00 0.26 C ATOM 341 CG PRO A 49 12.497 -0.709 0.531 1.00 0.17 C ATOM 342 CD PRO A 49 12.452 -1.830 -0.454 1.00 0.16 C ATOM 0 HA PRO A 49 14.755 -2.942 1.215 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.427 -0.625 2.439 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.538 -0.520 1.088 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.561 -0.640 1.085 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.640 0.247 0.027 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.455 -1.964 -0.874 1.00 0.16 H new ATOM 0 HD3 PRO A 49 13.131 -1.665 -1.291 1.00 0.16 H new ATOM 350 N ASN A 50 14.292 -2.420 3.766 1.00 0.17 N ATOM 351 CA ASN A 50 14.222 -2.654 5.205 1.00 0.22 C ATOM 352 C ASN A 50 12.780 -2.756 5.693 1.00 0.22 C ATOM 353 O ASN A 50 12.382 -3.775 6.265 1.00 0.34 O ATOM 354 CB ASN A 50 14.942 -1.503 5.927 1.00 0.35 C ATOM 355 CG ASN A 50 14.900 -1.630 7.440 1.00 0.58 C ATOM 356 OD1 ASN A 50 14.015 -1.075 8.093 1.00 1.23 O ATOM 357 ND2 ASN A 50 15.854 -2.354 8.009 1.00 0.83 N ATOM 0 H ASN A 50 15.020 -1.755 3.505 1.00 0.17 H new ATOM 0 HA ASN A 50 14.706 -3.605 5.427 1.00 0.22 H new ATOM 0 HB2 ASN A 50 15.981 -1.470 5.600 1.00 0.35 H new ATOM 0 HB3 ASN A 50 14.486 -0.557 5.635 1.00 0.35 H new ATOM 0 HD21 ASN A 50 15.872 -2.467 9.023 1.00 0.83 H new ATOM 0 HD22 ASN A 50 16.569 -2.798 7.433 1.00 0.83 H new ATOM 364 N ASP A 51 11.999 -1.717 5.414 1.00 0.24 N ATOM 365 CA ASP A 51 10.618 -1.628 5.880 1.00 0.34 C ATOM 366 C ASP A 51 10.039 -0.279 5.501 1.00 0.27 C ATOM 367 O ASP A 51 10.501 0.764 5.966 1.00 0.36 O ATOM 368 CB ASP A 51 10.511 -1.815 7.400 1.00 0.51 C ATOM 369 CG ASP A 51 9.071 -1.819 7.883 1.00 1.20 C ATOM 370 OD1 ASP A 51 8.329 -2.771 7.563 1.00 1.90 O ATOM 371 OD2 ASP A 51 8.666 -0.856 8.570 1.00 1.23 O ATOM 0 H ASP A 51 12.303 -0.916 4.861 1.00 0.24 H new ATOM 0 HA ASP A 51 10.057 -2.431 5.402 1.00 0.34 H new ATOM 0 HB2 ASP A 51 10.989 -2.753 7.682 1.00 0.51 H new ATOM 0 HB3 ASP A 51 11.057 -1.016 7.901 1.00 0.51 H new ATOM 376 N LEU A 52 9.063 -0.304 4.619 1.00 0.22 N ATOM 377 CA LEU A 52 8.385 0.909 4.200 1.00 0.17 C ATOM 378 C LEU A 52 7.075 1.060 4.949 1.00 0.19 C ATOM 379 O LEU A 52 6.308 0.102 5.080 1.00 0.25 O ATOM 380 CB LEU A 52 8.124 0.876 2.698 1.00 0.18 C ATOM 381 CG LEU A 52 9.368 0.658 1.846 1.00 0.14 C ATOM 382 CD1 LEU A 52 8.982 0.375 0.406 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.289 1.867 1.920 1.00 0.15 C ATOM 0 H LEU A 52 8.718 -1.155 4.175 1.00 0.22 H new ATOM 0 HA LEU A 52 9.024 1.762 4.428 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.408 0.082 2.484 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.656 1.815 2.402 1.00 0.18 H new ATOM 0 HG LEU A 52 9.904 -0.206 2.238 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.883 0.222 -0.189 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.363 -0.521 0.365 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.423 1.221 0.006 1.00 0.17 H new ATOM 0 HD21 LEU A 52 11.171 1.691 1.305 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.762 2.749 1.555 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.594 2.029 2.954 1.00 0.15 H new ATOM 395 N LEU A 53 6.825 2.257 5.440 1.00 0.16 N ATOM 396 CA LEU A 53 5.597 2.533 6.163 1.00 0.18 C ATOM 397 C LEU A 53 4.579 3.180 5.243 1.00 0.17 C ATOM 398 O LEU A 53 4.787 4.273 4.720 1.00 0.17 O ATOM 399 CB LEU A 53 5.859 3.436 7.371 1.00 0.21 C ATOM 400 CG LEU A 53 6.663 2.794 8.500 1.00 0.26 C ATOM 401 CD1 LEU A 53 6.930 3.806 9.602 1.00 0.32 C ATOM 402 CD2 LEU A 53 5.917 1.593 9.054 1.00 0.30 C ATOM 0 H LEU A 53 7.455 3.055 5.352 1.00 0.16 H new ATOM 0 HA LEU A 53 5.200 1.585 6.525 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.387 4.327 7.031 1.00 0.21 H new ATOM 0 HB3 LEU A 53 4.901 3.767 7.772 1.00 0.21 H new ATOM 0 HG LEU A 53 7.620 2.458 8.101 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.504 3.333 10.399 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.495 4.645 9.196 1.00 0.32 H new ATOM 0 HD13 LEU A 53 5.982 4.167 10.002 1.00 0.32 H new ATOM 0 HD21 LEU A 53 6.499 1.143 9.858 1.00 0.30 H new ATOM 0 HD22 LEU A 53 4.949 1.913 9.441 1.00 0.30 H new ATOM 0 HD23 LEU A 53 5.767 0.861 8.261 1.00 0.30 H new ATOM 414 N TRP A 54 3.485 2.490 5.048 1.00 0.18 N ATOM 415 CA TRP A 54 2.399 2.982 4.238 1.00 0.20 C ATOM 416 C TRP A 54 1.338 3.600 5.133 1.00 0.23 C ATOM 417 O TRP A 54 0.946 3.009 6.136 1.00 0.28 O ATOM 418 CB TRP A 54 1.804 1.823 3.432 1.00 0.22 C ATOM 419 CG TRP A 54 0.770 2.227 2.425 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.355 2.966 2.644 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.753 1.883 1.038 1.00 0.24 C ATOM 422 NE1 TRP A 54 -1.054 3.120 1.478 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.400 2.460 0.481 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.605 1.150 0.212 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.725 2.321 -0.859 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.278 1.012 -1.121 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.120 1.601 -1.641 1.00 0.35 C ATOM 0 H TRP A 54 3.321 1.566 5.448 1.00 0.18 H new ATOM 0 HA TRP A 54 2.766 3.743 3.550 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.612 1.305 2.915 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.358 1.108 4.124 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.651 3.371 3.600 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -1.923 3.643 1.372 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.503 0.699 0.608 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.619 2.769 -1.267 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 1.924 0.442 -1.772 1.00 0.41 H new ATOM 0 HH2 TRP A 54 -0.107 1.480 -2.690 1.00 0.35 H new ATOM 438 N SER A 55 0.899 4.793 4.786 1.00 0.26 N ATOM 439 CA SER A 55 -0.235 5.400 5.441 1.00 0.33 C ATOM 440 C SER A 55 -1.120 6.061 4.399 1.00 0.25 C ATOM 441 O SER A 55 -0.700 7.004 3.727 1.00 0.22 O ATOM 442 CB SER A 55 0.228 6.425 6.479 1.00 0.44 C ATOM 443 OG SER A 55 1.051 5.819 7.463 1.00 1.11 O ATOM 0 H SER A 55 1.315 5.362 4.049 1.00 0.26 H new ATOM 0 HA SER A 55 -0.804 4.629 5.961 1.00 0.33 H new ATOM 0 HB2 SER A 55 0.777 7.226 5.984 1.00 0.44 H new ATOM 0 HB3 SER A 55 -0.639 6.881 6.956 1.00 0.44 H new ATOM 0 HG SER A 55 0.571 5.071 7.875 1.00 1.11 H new ATOM 449 N PHE A 56 -2.331 5.549 4.227 1.00 0.30 N ATOM 450 CA PHE A 56 -3.261 6.181 3.316 1.00 0.28 C ATOM 451 C PHE A 56 -3.763 7.449 3.972 1.00 0.27 C ATOM 452 O PHE A 56 -4.411 7.388 5.015 1.00 0.39 O ATOM 453 CB PHE A 56 -4.476 5.287 3.026 1.00 0.40 C ATOM 454 CG PHE A 56 -4.183 3.859 2.635 1.00 0.30 C ATOM 455 CD1 PHE A 56 -3.811 2.923 3.589 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.330 3.443 1.325 1.00 0.34 C ATOM 457 CE1 PHE A 56 -3.588 1.603 3.239 1.00 0.30 C ATOM 458 CE2 PHE A 56 -4.102 2.123 0.970 1.00 0.34 C ATOM 459 CZ PHE A 56 -3.731 1.204 1.929 1.00 0.27 C ATOM 0 H PHE A 56 -2.683 4.715 4.698 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.745 6.375 2.376 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -5.110 5.275 3.913 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -5.056 5.748 2.226 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -3.694 3.229 4.618 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -4.626 4.155 0.569 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -3.302 0.885 3.994 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -4.215 1.814 -0.059 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.553 0.175 1.653 1.00 0.27 H new ATOM 469 N ASN A 57 -3.503 8.586 3.362 1.00 0.24 N ATOM 470 CA ASN A 57 -4.017 9.834 3.884 1.00 0.31 C ATOM 471 C ASN A 57 -5.368 10.101 3.265 1.00 0.33 C ATOM 472 O ASN A 57 -5.477 10.655 2.180 1.00 0.41 O ATOM 473 CB ASN A 57 -3.061 11.002 3.610 1.00 0.45 C ATOM 474 CG ASN A 57 -1.920 11.081 4.607 1.00 1.09 C ATOM 475 OD1 ASN A 57 -1.470 10.068 5.138 1.00 2.12 O ATOM 476 ND2 ASN A 57 -1.453 12.293 4.877 1.00 1.16 N ATOM 0 H ASN A 57 -2.945 8.672 2.513 1.00 0.24 H new ATOM 0 HA ASN A 57 -4.112 9.748 4.966 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -2.652 10.901 2.605 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -3.622 11.936 3.633 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -0.693 12.409 5.547 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -1.854 13.109 4.414 1.00 1.16 H new ATOM 483 N THR A 58 -6.394 9.710 3.977 1.00 0.34 N ATOM 484 CA THR A 58 -7.756 9.834 3.506 1.00 0.40 C ATOM 485 C THR A 58 -8.366 11.139 3.995 1.00 0.48 C ATOM 486 O THR A 58 -9.522 11.456 3.717 1.00 0.61 O ATOM 487 CB THR A 58 -8.560 8.632 4.024 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.231 8.393 5.402 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.257 7.387 3.197 1.00 0.48 C ATOM 0 H THR A 58 -6.311 9.294 4.905 1.00 0.34 H new ATOM 0 HA THR A 58 -7.775 9.846 2.416 1.00 0.40 H new ATOM 0 HB THR A 58 -9.623 8.856 3.935 1.00 0.40 H new ATOM 0 HG1 THR A 58 -8.745 7.627 5.733 1.00 0.43 H new ATOM 0 HG21 THR A 58 -8.836 6.546 3.579 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.524 7.568 2.156 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.194 7.156 3.264 1.00 0.48 H new ATOM 497 N THR A 59 -7.555 11.896 4.711 1.00 0.50 N ATOM 498 CA THR A 59 -7.975 13.132 5.307 1.00 0.63 C ATOM 499 C THR A 59 -7.681 14.321 4.389 1.00 0.67 C ATOM 500 O THR A 59 -8.482 15.249 4.285 1.00 0.77 O ATOM 501 CB THR A 59 -7.257 13.277 6.646 1.00 0.74 C ATOM 502 OG1 THR A 59 -7.499 12.100 7.420 1.00 0.86 O ATOM 503 CG2 THR A 59 -7.723 14.508 7.384 1.00 0.90 C ATOM 0 H THR A 59 -6.579 11.660 4.892 1.00 0.50 H new ATOM 0 HA THR A 59 -9.054 13.120 5.463 1.00 0.63 H new ATOM 0 HB THR A 59 -6.187 13.393 6.473 1.00 0.74 H new ATOM 0 HG1 THR A 59 -7.042 12.177 8.284 1.00 0.86 H new ATOM 0 HG21 THR A 59 -7.194 14.585 8.334 1.00 0.90 H new ATOM 0 HG22 THR A 59 -7.517 15.393 6.782 1.00 0.90 H new ATOM 0 HG23 THR A 59 -8.795 14.437 7.570 1.00 0.90 H new ATOM 511 N ASN A 60 -6.540 14.284 3.712 1.00 0.65 N ATOM 512 CA ASN A 60 -6.224 15.285 2.693 1.00 0.74 C ATOM 513 C ASN A 60 -6.176 14.623 1.323 1.00 0.72 C ATOM 514 O ASN A 60 -5.785 15.224 0.320 1.00 0.84 O ATOM 515 CB ASN A 60 -4.898 15.996 2.986 1.00 0.86 C ATOM 516 CG ASN A 60 -3.702 15.066 2.945 1.00 1.17 C ATOM 517 OD1 ASN A 60 -3.783 13.909 3.355 1.00 1.99 O ATOM 518 ND2 ASN A 60 -2.587 15.562 2.437 1.00 1.69 N ATOM 0 H ASN A 60 -5.819 13.576 3.847 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.009 16.041 2.707 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -4.754 16.796 2.260 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -4.953 16.464 3.969 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -1.752 14.980 2.374 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -2.562 16.527 2.108 1.00 1.69 H new ATOM 525 N LYS A 61 -6.607 13.365 1.326 1.00 0.64 N ATOM 526 CA LYS A 61 -6.680 12.515 0.149 1.00 0.66 C ATOM 527 C LYS A 61 -5.349 12.407 -0.601 1.00 0.65 C ATOM 528 O LYS A 61 -5.122 13.088 -1.602 1.00 0.94 O ATOM 529 CB LYS A 61 -7.777 12.981 -0.766 1.00 0.84 C ATOM 530 CG LYS A 61 -9.041 13.333 -0.018 1.00 0.96 C ATOM 531 CD LYS A 61 -10.087 13.796 -0.977 1.00 0.99 C ATOM 532 CE LYS A 61 -10.814 12.630 -1.628 1.00 1.06 C ATOM 533 NZ LYS A 61 -11.726 11.951 -0.672 1.00 1.65 N ATOM 0 H LYS A 61 -6.924 12.898 2.175 1.00 0.64 H new ATOM 0 HA LYS A 61 -6.911 11.510 0.501 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -7.435 13.852 -1.325 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -7.995 12.200 -1.495 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -9.401 12.465 0.535 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -8.835 14.114 0.714 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -10.806 14.426 -0.454 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -9.625 14.412 -1.748 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -11.385 12.989 -2.484 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -10.086 11.914 -2.009 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -11.412 10.970 -0.530 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -11.712 12.454 0.238 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -12.693 11.953 -1.054 1.00 1.65 H new ATOM 547 N SER A 62 -4.487 11.532 -0.109 1.00 0.41 N ATOM 548 CA SER A 62 -3.197 11.263 -0.720 1.00 0.38 C ATOM 549 C SER A 62 -2.622 9.962 -0.154 1.00 0.35 C ATOM 550 O SER A 62 -2.975 9.541 0.940 1.00 0.50 O ATOM 551 CB SER A 62 -2.241 12.428 -0.469 1.00 0.47 C ATOM 552 OG SER A 62 -0.969 12.192 -1.040 1.00 1.28 O ATOM 0 H SER A 62 -4.665 10.984 0.733 1.00 0.41 H new ATOM 0 HA SER A 62 -3.325 11.153 -1.797 1.00 0.38 H new ATOM 0 HB2 SER A 62 -2.663 13.342 -0.886 1.00 0.47 H new ATOM 0 HB3 SER A 62 -2.135 12.587 0.604 1.00 0.47 H new ATOM 0 HG SER A 62 -0.347 11.897 -0.343 1.00 1.28 H new ATOM 558 N ILE A 63 -1.763 9.325 -0.916 1.00 0.36 N ATOM 559 CA ILE A 63 -1.105 8.105 -0.493 1.00 0.33 C ATOM 560 C ILE A 63 0.269 8.454 0.036 1.00 0.35 C ATOM 561 O ILE A 63 1.148 8.834 -0.729 1.00 0.54 O ATOM 562 CB ILE A 63 -0.915 7.086 -1.643 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.132 7.038 -2.585 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.634 5.713 -1.057 1.00 0.39 C ATOM 565 CD1 ILE A 63 -2.193 5.789 -3.434 1.00 1.11 C ATOM 0 H ILE A 63 -1.498 9.637 -1.850 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.742 7.647 0.264 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.066 7.409 -2.246 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -3.043 7.108 -1.991 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -2.110 7.910 -3.238 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.500 4.993 -1.865 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.272 5.754 -0.453 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -1.473 5.405 -0.432 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -3.076 5.825 -4.072 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -1.299 5.727 -4.055 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -2.248 4.912 -2.788 1.00 1.11 H new ATOM 577 N ASN A 64 0.457 8.358 1.334 1.00 0.25 N ATOM 578 CA ASN A 64 1.733 8.715 1.925 1.00 0.25 C ATOM 579 C ASN A 64 2.517 7.476 2.308 1.00 0.21 C ATOM 580 O ASN A 64 2.252 6.840 3.327 1.00 0.24 O ATOM 581 CB ASN A 64 1.539 9.635 3.124 1.00 0.34 C ATOM 582 CG ASN A 64 1.253 11.077 2.715 1.00 0.57 C ATOM 583 OD1 ASN A 64 0.698 11.268 1.523 1.00 1.22 O flip ATOM 584 ND2 ASN A 64 1.547 12.015 3.457 1.00 0.53 N flip ATOM 0 H ASN A 64 -0.249 8.039 1.997 1.00 0.25 H new ATOM 0 HA ASN A 64 2.311 9.258 1.178 1.00 0.25 H new ATOM 0 HB2 ASN A 64 0.715 9.263 3.733 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.433 9.608 3.747 1.00 0.34 H new ATOM 0 HD21 ASN A 64 1.972 11.832 4.366 1.00 0.53 H new ATOM 0 HD22 ASN A 64 1.365 12.975 3.162 1.00 0.53 H new ATOM 591 N VAL A 65 3.464 7.124 1.460 1.00 0.20 N ATOM 592 CA VAL A 65 4.331 5.992 1.712 1.00 0.18 C ATOM 593 C VAL A 65 5.695 6.506 2.140 1.00 0.20 C ATOM 594 O VAL A 65 6.382 7.168 1.363 1.00 0.25 O ATOM 595 CB VAL A 65 4.502 5.109 0.459 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.205 3.806 0.810 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.165 4.843 -0.217 1.00 0.19 C ATOM 0 H VAL A 65 3.652 7.611 0.584 1.00 0.20 H new ATOM 0 HA VAL A 65 3.876 5.384 2.494 1.00 0.18 H new ATOM 0 HB VAL A 65 5.127 5.652 -0.250 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.315 3.199 -0.088 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.190 4.024 1.224 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.614 3.261 1.546 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.320 4.218 -1.097 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.501 4.331 0.479 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.715 5.789 -0.519 1.00 0.19 H new ATOM 607 N TYR A 66 6.087 6.217 3.365 1.00 0.19 N ATOM 608 CA TYR A 66 7.309 6.783 3.914 1.00 0.21 C ATOM 609 C TYR A 66 8.071 5.780 4.760 1.00 0.21 C ATOM 610 O TYR A 66 7.518 4.820 5.270 1.00 0.24 O ATOM 611 CB TYR A 66 7.001 8.039 4.737 1.00 0.27 C ATOM 612 CG TYR A 66 5.918 7.850 5.778 1.00 0.31 C ATOM 613 CD1 TYR A 66 4.581 8.056 5.461 1.00 0.33 C ATOM 614 CD2 TYR A 66 6.234 7.464 7.076 1.00 0.40 C ATOM 615 CE1 TYR A 66 3.589 7.888 6.408 1.00 0.43 C ATOM 616 CE2 TYR A 66 5.245 7.292 8.028 1.00 0.50 C ATOM 617 CZ TYR A 66 3.926 7.503 7.688 1.00 0.51 C ATOM 618 OH TYR A 66 2.940 7.338 8.636 1.00 0.63 O ATOM 0 H TYR A 66 5.582 5.597 3.998 1.00 0.19 H new ATOM 0 HA TYR A 66 7.943 7.055 3.070 1.00 0.21 H new ATOM 0 HB2 TYR A 66 7.914 8.366 5.234 1.00 0.27 H new ATOM 0 HB3 TYR A 66 6.702 8.839 4.060 1.00 0.27 H new ATOM 0 HD1 TYR A 66 4.313 8.352 4.458 1.00 0.33 H new ATOM 0 HD2 TYR A 66 7.266 7.296 7.345 1.00 0.40 H new ATOM 0 HE1 TYR A 66 2.555 8.057 6.147 1.00 0.43 H new ATOM 0 HE2 TYR A 66 5.505 6.994 9.033 1.00 0.50 H new ATOM 0 HH TYR A 66 2.170 6.886 8.232 1.00 0.63 H new ATOM 628 N SER A 67 9.355 6.014 4.864 1.00 0.21 N ATOM 629 CA SER A 67 10.240 5.218 5.681 1.00 0.24 C ATOM 630 C SER A 67 11.384 6.100 6.147 1.00 0.28 C ATOM 631 O SER A 67 11.331 7.320 5.977 1.00 0.30 O ATOM 632 CB SER A 67 10.787 4.042 4.879 1.00 0.26 C ATOM 633 OG SER A 67 11.494 4.513 3.748 1.00 0.29 O ATOM 0 H SER A 67 9.824 6.776 4.375 1.00 0.21 H new ATOM 0 HA SER A 67 9.695 4.823 6.538 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.446 3.440 5.505 1.00 0.26 H new ATOM 0 HB3 SER A 67 9.969 3.395 4.563 1.00 0.26 H new ATOM 0 HG SER A 67 12.098 3.812 3.425 1.00 0.29 H new ATOM 639 N LYS A 68 12.397 5.488 6.738 1.00 0.33 N ATOM 640 CA LYS A 68 13.606 6.198 7.125 1.00 0.38 C ATOM 641 C LYS A 68 14.119 7.072 5.980 1.00 0.36 C ATOM 642 O LYS A 68 14.579 8.194 6.192 1.00 0.42 O ATOM 643 CB LYS A 68 14.709 5.212 7.509 1.00 0.47 C ATOM 644 CG LYS A 68 14.455 4.384 8.764 1.00 0.63 C ATOM 645 CD LYS A 68 13.465 3.244 8.554 1.00 1.00 C ATOM 646 CE LYS A 68 13.501 2.269 9.722 1.00 1.58 C ATOM 647 NZ LYS A 68 12.702 1.040 9.463 1.00 2.03 N ATOM 0 H LYS A 68 12.406 4.493 6.962 1.00 0.33 H new ATOM 0 HA LYS A 68 13.353 6.826 7.979 1.00 0.38 H new ATOM 0 HB2 LYS A 68 14.867 4.530 6.673 1.00 0.47 H new ATOM 0 HB3 LYS A 68 15.636 5.769 7.646 1.00 0.47 H new ATOM 0 HG2 LYS A 68 15.401 3.972 9.115 1.00 0.63 H new ATOM 0 HG3 LYS A 68 14.081 5.038 9.551 1.00 0.63 H new ATOM 0 HD2 LYS A 68 12.458 3.647 8.443 1.00 1.00 H new ATOM 0 HD3 LYS A 68 13.701 2.718 7.629 1.00 1.00 H new ATOM 0 HE2 LYS A 68 14.535 1.990 9.927 1.00 1.58 H new ATOM 0 HE3 LYS A 68 13.121 2.764 10.616 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 12.402 0.624 10.368 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 11.863 1.284 8.899 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 13.282 0.352 8.941 1.00 2.03 H new ATOM 661 N CYS A 69 14.008 6.551 4.766 1.00 0.36 N ATOM 662 CA CYS A 69 14.611 7.186 3.596 1.00 0.37 C ATOM 663 C CYS A 69 13.575 7.742 2.603 1.00 0.41 C ATOM 664 O CYS A 69 13.562 8.942 2.328 1.00 0.74 O ATOM 665 CB CYS A 69 15.515 6.173 2.907 1.00 0.38 C ATOM 666 SG CYS A 69 16.770 5.450 4.013 1.00 0.38 S ATOM 0 H CYS A 69 13.505 5.687 4.562 1.00 0.36 H new ATOM 0 HA CYS A 69 15.184 8.046 3.942 1.00 0.37 H new ATOM 0 HB2 CYS A 69 14.902 5.372 2.494 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.016 6.656 2.068 1.00 0.38 H new ATOM 671 N ILE A 70 12.719 6.880 2.056 1.00 0.25 N ATOM 672 CA ILE A 70 11.764 7.306 1.028 1.00 0.22 C ATOM 673 C ILE A 70 10.524 7.895 1.686 1.00 0.23 C ATOM 674 O ILE A 70 10.170 7.513 2.801 1.00 0.27 O ATOM 675 CB ILE A 70 11.367 6.137 0.100 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.556 6.626 -1.095 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.589 5.074 0.856 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.588 5.666 -2.247 1.00 0.23 C ATOM 0 H ILE A 70 12.665 5.892 2.303 1.00 0.25 H new ATOM 0 HA ILE A 70 12.248 8.066 0.415 1.00 0.22 H new ATOM 0 HB ILE A 70 12.291 5.693 -0.270 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.522 6.784 -0.787 1.00 0.20 H new ATOM 0 HG13 ILE A 70 10.943 7.592 -1.421 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.324 4.265 0.176 1.00 0.22 H new ATOM 0 HG22 ILE A 70 11.203 4.681 1.666 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.681 5.513 1.269 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.994 6.065 -3.070 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.618 5.527 -2.577 1.00 0.23 H new ATOM 0 HD13 ILE A 70 10.175 4.707 -1.933 1.00 0.23 H new ATOM 690 N SER A 71 9.889 8.836 1.014 1.00 0.24 N ATOM 691 CA SER A 71 8.689 9.482 1.526 1.00 0.28 C ATOM 692 C SER A 71 7.910 10.098 0.378 1.00 0.29 C ATOM 693 O SER A 71 8.363 11.061 -0.239 1.00 0.39 O ATOM 694 CB SER A 71 9.050 10.565 2.542 1.00 0.42 C ATOM 695 OG SER A 71 9.666 10.016 3.695 1.00 1.12 O ATOM 0 H SER A 71 10.187 9.176 0.100 1.00 0.24 H new ATOM 0 HA SER A 71 8.076 8.730 2.023 1.00 0.28 H new ATOM 0 HB2 SER A 71 9.722 11.289 2.080 1.00 0.42 H new ATOM 0 HB3 SER A 71 8.150 11.106 2.833 1.00 0.42 H new ATOM 0 HG SER A 71 9.781 9.050 3.576 1.00 1.12 H new ATOM 701 N GLY A 72 6.758 9.531 0.073 1.00 0.30 N ATOM 702 CA GLY A 72 6.007 9.998 -1.063 1.00 0.42 C ATOM 703 C GLY A 72 4.559 10.235 -0.771 1.00 0.31 C ATOM 704 O GLY A 72 3.937 9.513 0.006 1.00 0.40 O ATOM 0 H GLY A 72 6.333 8.761 0.589 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.452 10.925 -1.425 1.00 0.42 H new ATOM 0 HA3 GLY A 72 6.091 9.268 -1.868 1.00 0.42 H new ATOM 708 N LYS A 73 4.037 11.262 -1.398 1.00 0.24 N ATOM 709 CA LYS A 73 2.625 11.544 -1.380 1.00 0.23 C ATOM 710 C LYS A 73 2.059 11.187 -2.752 1.00 0.21 C ATOM 711 O LYS A 73 2.797 11.169 -3.738 1.00 0.27 O ATOM 712 CB LYS A 73 2.407 13.024 -0.996 1.00 0.35 C ATOM 713 CG LYS A 73 1.446 13.790 -1.874 1.00 1.00 C ATOM 714 CD LYS A 73 2.114 14.174 -3.170 1.00 0.70 C ATOM 715 CE LYS A 73 1.092 14.473 -4.237 1.00 0.43 C ATOM 716 NZ LYS A 73 0.606 15.876 -4.156 1.00 0.64 N ATOM 0 H LYS A 73 4.586 11.930 -1.939 1.00 0.24 H new ATOM 0 HA LYS A 73 2.098 10.949 -0.634 1.00 0.23 H new ATOM 0 HB2 LYS A 73 2.044 13.065 0.031 1.00 0.35 H new ATOM 0 HB3 LYS A 73 3.371 13.532 -1.014 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.565 13.182 -2.077 1.00 1.00 H new ATOM 0 HG3 LYS A 73 1.103 14.685 -1.355 1.00 1.00 H new ATOM 0 HD2 LYS A 73 2.746 15.048 -3.012 1.00 0.70 H new ATOM 0 HD3 LYS A 73 2.765 13.365 -3.501 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.529 14.296 -5.220 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.249 13.790 -4.135 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 -0.095 16.044 -4.905 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 0.166 16.038 -3.228 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 1.407 16.528 -4.278 1.00 0.64 H new ATOM 730 N ALA A 74 0.775 10.901 -2.828 1.00 0.21 N ATOM 731 CA ALA A 74 0.176 10.475 -4.086 1.00 0.22 C ATOM 732 C ALA A 74 -1.318 10.704 -4.088 1.00 0.26 C ATOM 733 O ALA A 74 -2.008 10.280 -3.188 1.00 0.41 O ATOM 734 CB ALA A 74 0.453 9.003 -4.324 1.00 0.23 C ATOM 0 H ALA A 74 0.127 10.954 -2.042 1.00 0.21 H new ATOM 0 HA ALA A 74 0.622 11.070 -4.883 1.00 0.22 H new ATOM 0 HB1 ALA A 74 0.001 8.695 -5.267 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.530 8.838 -4.367 1.00 0.23 H new ATOM 0 HB3 ALA A 74 0.028 8.416 -3.509 1.00 0.23 H new ATOM 740 N VAL A 75 -1.836 11.355 -5.094 1.00 0.28 N ATOM 741 CA VAL A 75 -3.272 11.531 -5.160 1.00 0.33 C ATOM 742 C VAL A 75 -3.898 10.271 -5.731 1.00 0.29 C ATOM 743 O VAL A 75 -3.494 9.790 -6.793 1.00 0.29 O ATOM 744 CB VAL A 75 -3.672 12.754 -5.989 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.151 13.050 -5.823 1.00 0.81 C ATOM 746 CG2 VAL A 75 -2.827 13.952 -5.594 1.00 0.80 C ATOM 0 H VAL A 75 -1.307 11.765 -5.864 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.640 11.708 -4.149 1.00 0.33 H new ATOM 0 HB VAL A 75 -3.491 12.540 -7.042 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -5.417 13.923 -6.420 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -5.734 12.191 -6.157 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -5.367 13.249 -4.773 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.120 14.816 -6.190 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -2.979 14.172 -4.537 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -1.775 13.729 -5.771 1.00 0.80 H new ATOM 756 N TYR A 76 -4.864 9.731 -5.013 1.00 0.29 N ATOM 757 CA TYR A 76 -5.386 8.410 -5.323 1.00 0.25 C ATOM 758 C TYR A 76 -6.642 8.478 -6.172 1.00 0.29 C ATOM 759 O TYR A 76 -7.389 9.457 -6.132 1.00 0.42 O ATOM 760 CB TYR A 76 -5.639 7.589 -4.045 1.00 0.29 C ATOM 761 CG TYR A 76 -6.542 8.234 -3.017 1.00 0.38 C ATOM 762 CD1 TYR A 76 -7.912 8.303 -3.229 1.00 0.46 C ATOM 763 CD2 TYR A 76 -6.030 8.795 -1.853 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.747 8.904 -2.305 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.858 9.397 -0.927 1.00 0.56 C ATOM 766 CZ TYR A 76 -8.189 9.390 -1.099 1.00 0.64 C ATOM 767 OH TYR A 76 -9.039 10.052 -0.235 1.00 0.75 O ATOM 0 H TYR A 76 -5.304 10.184 -4.212 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.620 7.901 -5.908 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -6.072 6.631 -4.331 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.678 7.377 -3.576 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.332 7.881 -4.130 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -4.966 8.759 -1.670 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.805 9.001 -2.500 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.432 9.877 -0.058 1.00 0.56 H new ATOM 0 HH TYR A 76 -9.940 9.675 -0.310 1.00 0.75 H new ATOM 777 N SER A 77 -6.855 7.424 -6.939 1.00 0.25 N ATOM 778 CA SER A 77 -8.016 7.304 -7.797 1.00 0.29 C ATOM 779 C SER A 77 -8.536 5.872 -7.753 1.00 0.23 C ATOM 780 O SER A 77 -7.766 4.934 -7.539 1.00 0.26 O ATOM 781 CB SER A 77 -7.655 7.686 -9.227 1.00 0.39 C ATOM 782 OG SER A 77 -6.982 8.938 -9.278 1.00 0.98 O ATOM 0 H SER A 77 -6.223 6.624 -6.983 1.00 0.25 H new ATOM 0 HA SER A 77 -8.794 7.980 -7.443 1.00 0.29 H new ATOM 0 HB2 SER A 77 -7.021 6.913 -9.662 1.00 0.39 H new ATOM 0 HB3 SER A 77 -8.561 7.734 -9.832 1.00 0.39 H new ATOM 0 HG SER A 77 -6.763 9.154 -10.208 1.00 0.98 H new ATOM 788 N PHE A 78 -9.837 5.703 -7.925 1.00 0.20 N ATOM 789 CA PHE A 78 -10.440 4.379 -7.927 1.00 0.20 C ATOM 790 C PHE A 78 -11.068 4.071 -9.276 1.00 0.22 C ATOM 791 O PHE A 78 -11.726 4.927 -9.873 1.00 0.28 O ATOM 792 CB PHE A 78 -11.501 4.265 -6.832 1.00 0.24 C ATOM 793 CG PHE A 78 -10.934 4.256 -5.446 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.741 5.444 -4.763 1.00 0.37 C ATOM 795 CD2 PHE A 78 -10.594 3.066 -4.828 1.00 0.36 C ATOM 796 CE1 PHE A 78 -10.220 5.445 -3.487 1.00 0.47 C ATOM 797 CE2 PHE A 78 -10.072 3.058 -3.551 1.00 0.46 C ATOM 798 CZ PHE A 78 -9.881 4.229 -2.880 1.00 0.50 C ATOM 0 H PHE A 78 -10.497 6.468 -8.065 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.648 3.656 -7.732 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.198 5.098 -6.925 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -12.074 3.351 -6.987 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -11.001 6.380 -5.235 1.00 0.37 H new ATOM 0 HD2 PHE A 78 -10.739 2.132 -5.351 1.00 0.36 H new ATOM 0 HE1 PHE A 78 -10.074 6.376 -2.959 1.00 0.47 H new ATOM 0 HE2 PHE A 78 -9.814 2.120 -3.081 1.00 0.46 H new ATOM 0 HZ PHE A 78 -9.469 4.219 -1.882 1.00 0.50 H new ATOM 808 N ASN A 79 -10.851 2.856 -9.759 1.00 0.21 N ATOM 809 CA ASN A 79 -11.477 2.410 -10.993 1.00 0.23 C ATOM 810 C ASN A 79 -11.710 0.908 -10.949 1.00 0.26 C ATOM 811 O ASN A 79 -10.760 0.132 -10.973 1.00 0.31 O ATOM 812 CB ASN A 79 -10.612 2.764 -12.202 1.00 0.31 C ATOM 813 CG ASN A 79 -11.405 2.724 -13.495 1.00 0.45 C ATOM 814 OD1 ASN A 79 -12.635 2.795 -13.485 1.00 0.77 O ATOM 815 ND2 ASN A 79 -10.712 2.651 -14.619 1.00 0.59 N ATOM 0 H ASN A 79 -10.247 2.164 -9.316 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.435 2.920 -11.091 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -10.188 3.759 -12.066 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.776 2.068 -12.267 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -11.195 2.652 -15.517 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -9.694 2.593 -14.588 1.00 0.59 H new ATOM 822 N ALA A 80 -12.978 0.514 -10.865 1.00 0.28 N ATOM 823 CA ALA A 80 -13.366 -0.897 -10.845 1.00 0.38 C ATOM 824 C ALA A 80 -12.707 -1.649 -9.686 1.00 0.46 C ATOM 825 O ALA A 80 -12.156 -2.735 -9.866 1.00 0.95 O ATOM 826 CB ALA A 80 -13.038 -1.562 -12.177 1.00 0.45 C ATOM 0 H ALA A 80 -13.765 1.161 -10.809 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.444 -0.940 -10.691 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -13.334 -2.611 -12.143 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.579 -1.058 -12.978 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -11.966 -1.493 -12.364 1.00 0.45 H new ATOM 832 N GLY A 81 -12.768 -1.062 -8.495 1.00 0.24 N ATOM 833 CA GLY A 81 -12.192 -1.687 -7.322 1.00 0.21 C ATOM 834 C GLY A 81 -10.699 -1.451 -7.198 1.00 0.21 C ATOM 835 O GLY A 81 -10.105 -1.735 -6.160 1.00 0.31 O ATOM 0 H GLY A 81 -13.209 -0.159 -8.323 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.690 -1.304 -6.431 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.383 -2.760 -7.358 1.00 0.21 H new ATOM 839 N LYS A 82 -10.086 -0.933 -8.250 1.00 0.19 N ATOM 840 CA LYS A 82 -8.655 -0.698 -8.250 1.00 0.20 C ATOM 841 C LYS A 82 -8.311 0.598 -7.534 1.00 0.20 C ATOM 842 O LYS A 82 -8.875 1.653 -7.826 1.00 0.26 O ATOM 843 CB LYS A 82 -8.118 -0.661 -9.675 1.00 0.23 C ATOM 844 CG LYS A 82 -8.226 -1.988 -10.403 1.00 0.26 C ATOM 845 CD LYS A 82 -7.568 -3.099 -9.609 1.00 0.23 C ATOM 846 CE LYS A 82 -7.204 -4.274 -10.495 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.166 -3.907 -11.498 1.00 1.32 N ATOM 0 H LYS A 82 -10.559 -0.668 -9.114 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.184 -1.522 -7.714 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.661 0.098 -10.239 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -7.073 -0.354 -9.652 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.275 -2.230 -10.572 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -7.755 -1.909 -11.383 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.671 -2.717 -9.122 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -8.242 -3.432 -8.820 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -6.840 -5.096 -9.878 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -8.096 -4.632 -11.009 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -5.701 -4.769 -11.848 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -6.613 -3.407 -12.293 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -5.458 -3.288 -11.054 1.00 1.32 H new ATOM 861 N PHE A 83 -7.381 0.498 -6.600 1.00 0.16 N ATOM 862 CA PHE A 83 -6.915 1.634 -5.831 1.00 0.16 C ATOM 863 C PHE A 83 -5.579 2.126 -6.384 1.00 0.16 C ATOM 864 O PHE A 83 -4.595 1.387 -6.426 1.00 0.17 O ATOM 865 CB PHE A 83 -6.818 1.220 -4.349 1.00 0.15 C ATOM 866 CG PHE A 83 -5.801 1.957 -3.525 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.074 3.211 -3.009 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.572 1.372 -3.251 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.138 3.871 -2.237 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.633 2.028 -2.479 1.00 0.22 C ATOM 871 CZ PHE A 83 -3.921 3.278 -1.974 1.00 0.22 C ATOM 0 H PHE A 83 -6.926 -0.381 -6.354 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.616 2.465 -5.909 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.797 1.356 -3.889 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.590 0.155 -4.304 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -7.027 3.678 -3.211 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.347 0.392 -3.646 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.359 4.851 -1.840 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.680 1.565 -2.272 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.190 3.795 -1.370 1.00 0.22 H new ATOM 881 N MET A 84 -5.568 3.368 -6.844 1.00 0.19 N ATOM 882 CA MET A 84 -4.399 3.932 -7.503 1.00 0.19 C ATOM 883 C MET A 84 -3.878 5.142 -6.768 1.00 0.24 C ATOM 884 O MET A 84 -4.501 5.614 -5.828 1.00 0.44 O ATOM 885 CB MET A 84 -4.755 4.330 -8.927 1.00 0.22 C ATOM 886 CG MET A 84 -5.437 3.222 -9.675 1.00 0.21 C ATOM 887 SD MET A 84 -5.995 3.705 -11.307 1.00 0.25 S ATOM 888 CE MET A 84 -6.568 2.109 -11.846 1.00 0.23 C ATOM 0 H MET A 84 -6.359 4.007 -6.773 1.00 0.19 H new ATOM 0 HA MET A 84 -3.620 3.170 -7.507 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.405 5.205 -8.906 1.00 0.22 H new ATOM 0 HB3 MET A 84 -3.848 4.620 -9.458 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.751 2.380 -9.768 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.292 2.874 -9.095 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.181 2.225 -12.740 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.712 1.473 -12.072 1.00 0.23 H new ATOM 0 HE3 MET A 84 -7.163 1.650 -11.056 1.00 0.23 H new ATOM 898 N GLY A 85 -2.728 5.632 -7.206 1.00 0.19 N ATOM 899 CA GLY A 85 -2.172 6.840 -6.640 1.00 0.23 C ATOM 900 C GLY A 85 -0.904 7.273 -7.336 1.00 0.30 C ATOM 901 O GLY A 85 0.100 6.581 -7.266 1.00 0.61 O ATOM 0 H GLY A 85 -2.168 5.211 -7.947 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -2.909 7.640 -6.704 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.966 6.680 -5.582 1.00 0.23 H new ATOM 905 N ASN A 86 -0.941 8.418 -8.003 1.00 0.27 N ATOM 906 CA ASN A 86 0.241 8.919 -8.705 1.00 0.30 C ATOM 907 C ASN A 86 1.177 9.589 -7.710 1.00 0.24 C ATOM 908 O ASN A 86 0.794 10.551 -7.048 1.00 0.23 O ATOM 909 CB ASN A 86 -0.141 9.907 -9.810 1.00 0.41 C ATOM 910 CG ASN A 86 1.039 10.246 -10.704 1.00 0.58 C ATOM 911 OD1 ASN A 86 1.261 9.603 -11.727 1.00 1.51 O ATOM 912 ND2 ASN A 86 1.804 11.249 -10.322 1.00 0.93 N ATOM 0 H ASN A 86 -1.765 9.015 -8.075 1.00 0.27 H new ATOM 0 HA ASN A 86 0.744 8.073 -9.174 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -0.943 9.483 -10.414 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -0.530 10.821 -9.361 1.00 0.41 H new ATOM 0 HD21 ASN A 86 2.613 11.515 -10.883 1.00 0.93 H new ATOM 0 HD22 ASN A 86 1.587 11.759 -9.466 1.00 0.93 H new ATOM 919 N PHE A 87 2.402 9.098 -7.619 1.00 0.23 N ATOM 920 CA PHE A 87 3.289 9.484 -6.533 1.00 0.20 C ATOM 921 C PHE A 87 4.197 10.651 -6.864 1.00 0.22 C ATOM 922 O PHE A 87 4.620 10.855 -8.000 1.00 0.30 O ATOM 923 CB PHE A 87 4.155 8.310 -6.097 1.00 0.24 C ATOM 924 CG PHE A 87 3.438 7.326 -5.229 1.00 0.20 C ATOM 925 CD1 PHE A 87 2.641 6.344 -5.784 1.00 0.23 C ATOM 926 CD2 PHE A 87 3.552 7.398 -3.853 1.00 0.23 C ATOM 927 CE1 PHE A 87 1.968 5.445 -4.983 1.00 0.27 C ATOM 928 CE2 PHE A 87 2.883 6.507 -3.043 1.00 0.27 C ATOM 929 CZ PHE A 87 2.086 5.524 -3.608 1.00 0.28 C ATOM 0 H PHE A 87 2.804 8.434 -8.281 1.00 0.23 H new ATOM 0 HA PHE A 87 2.626 9.800 -5.727 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.528 7.796 -6.983 1.00 0.24 H new ATOM 0 HB3 PHE A 87 5.024 8.690 -5.560 1.00 0.24 H new ATOM 0 HD1 PHE A 87 2.544 6.279 -6.858 1.00 0.23 H new ATOM 0 HD2 PHE A 87 4.173 8.162 -3.408 1.00 0.23 H new ATOM 0 HE1 PHE A 87 1.350 4.680 -5.430 1.00 0.27 H new ATOM 0 HE2 PHE A 87 2.979 6.574 -1.969 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.560 4.823 -2.977 1.00 0.28 H new ATOM 939 N ASN A 88 4.487 11.395 -5.819 1.00 0.21 N ATOM 940 CA ASN A 88 5.525 12.404 -5.823 1.00 0.26 C ATOM 941 C ASN A 88 6.414 12.138 -4.625 1.00 0.27 C ATOM 942 O ASN A 88 6.187 12.658 -3.531 1.00 0.42 O ATOM 943 CB ASN A 88 4.951 13.809 -5.739 1.00 0.34 C ATOM 944 CG ASN A 88 6.000 14.882 -5.977 1.00 1.15 C ATOM 945 OD1 ASN A 88 6.674 15.332 -5.048 1.00 2.02 O ATOM 946 ND2 ASN A 88 6.139 15.308 -7.224 1.00 1.66 N ATOM 0 H ASN A 88 4.000 11.315 -4.927 1.00 0.21 H new ATOM 0 HA ASN A 88 6.084 12.347 -6.757 1.00 0.26 H new ATOM 0 HB2 ASN A 88 4.153 13.916 -6.474 1.00 0.34 H new ATOM 0 HB3 ASN A 88 4.502 13.956 -4.757 1.00 0.34 H new ATOM 0 HD21 ASN A 88 6.823 16.033 -7.442 1.00 1.66 H new ATOM 0 HD22 ASN A 88 5.563 14.911 -7.966 1.00 1.66 H new ATOM 953 N VAL A 89 7.394 11.289 -4.830 1.00 0.24 N ATOM 954 CA VAL A 89 8.183 10.755 -3.732 1.00 0.24 C ATOM 955 C VAL A 89 9.545 11.417 -3.647 1.00 0.30 C ATOM 956 O VAL A 89 10.102 11.862 -4.650 1.00 0.34 O ATOM 957 CB VAL A 89 8.391 9.222 -3.854 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.653 8.620 -2.503 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.209 8.532 -4.531 1.00 0.25 C ATOM 0 H VAL A 89 7.669 10.948 -5.751 1.00 0.24 H new ATOM 0 HA VAL A 89 7.614 10.969 -2.827 1.00 0.24 H new ATOM 0 HB VAL A 89 9.262 9.061 -4.489 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.797 7.544 -2.606 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.550 9.067 -2.073 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.803 8.812 -1.848 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.400 7.461 -4.594 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.304 8.705 -3.949 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.078 8.937 -5.535 1.00 0.25 H new ATOM 969 N LYS A 90 10.047 11.513 -2.432 1.00 0.33 N ATOM 970 CA LYS A 90 11.424 11.884 -2.203 1.00 0.41 C ATOM 971 C LYS A 90 12.187 10.603 -1.916 1.00 0.33 C ATOM 972 O LYS A 90 11.673 9.710 -1.236 1.00 0.35 O ATOM 973 CB LYS A 90 11.550 12.877 -1.047 1.00 0.54 C ATOM 974 CG LYS A 90 11.447 12.240 0.321 1.00 0.99 C ATOM 975 CD LYS A 90 11.601 13.273 1.415 1.00 1.48 C ATOM 976 CE LYS A 90 11.780 12.623 2.777 1.00 2.27 C ATOM 977 NZ LYS A 90 11.849 13.632 3.863 1.00 2.81 N ATOM 0 H LYS A 90 9.513 11.336 -1.581 1.00 0.33 H new ATOM 0 HA LYS A 90 11.834 12.386 -3.079 1.00 0.41 H new ATOM 0 HB2 LYS A 90 12.507 13.392 -1.126 1.00 0.54 H new ATOM 0 HB3 LYS A 90 10.772 13.634 -1.144 1.00 0.54 H new ATOM 0 HG2 LYS A 90 10.484 11.740 0.421 1.00 0.99 H new ATOM 0 HG3 LYS A 90 12.216 11.475 0.428 1.00 0.99 H new ATOM 0 HD2 LYS A 90 12.460 13.908 1.198 1.00 1.48 H new ATOM 0 HD3 LYS A 90 10.723 13.919 1.432 1.00 1.48 H new ATOM 0 HE2 LYS A 90 10.951 11.941 2.966 1.00 2.27 H new ATOM 0 HE3 LYS A 90 12.691 12.025 2.778 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 11.971 13.151 4.777 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 12.655 14.267 3.696 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 10.969 14.186 3.879 1.00 2.81 H new ATOM 991 N GLU A 91 13.388 10.492 -2.434 1.00 0.41 N ATOM 992 CA GLU A 91 14.038 9.199 -2.495 1.00 0.44 C ATOM 993 C GLU A 91 15.548 9.323 -2.444 1.00 0.46 C ATOM 994 O GLU A 91 16.137 10.302 -2.906 1.00 0.62 O ATOM 995 CB GLU A 91 13.615 8.501 -3.770 1.00 0.72 C ATOM 996 CG GLU A 91 13.755 6.995 -3.784 1.00 0.52 C ATOM 997 CD GLU A 91 13.325 6.418 -5.120 1.00 1.20 C ATOM 998 OE1 GLU A 91 12.111 6.204 -5.323 1.00 1.57 O ATOM 999 OE2 GLU A 91 14.194 6.215 -5.990 1.00 1.68 O ATOM 0 H GLU A 91 13.930 11.267 -2.815 1.00 0.41 H new ATOM 0 HA GLU A 91 13.734 8.616 -1.625 1.00 0.44 H new ATOM 0 HB2 GLU A 91 12.572 8.750 -3.967 1.00 0.72 H new ATOM 0 HB3 GLU A 91 14.201 8.907 -4.594 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.791 6.721 -3.583 1.00 0.52 H new ATOM 0 HG3 GLU A 91 13.150 6.563 -2.986 1.00 0.52 H new ATOM 1006 N VAL A 92 16.141 8.322 -1.843 1.00 0.45 N ATOM 1007 CA VAL A 92 17.581 8.219 -1.676 1.00 0.43 C ATOM 1008 C VAL A 92 18.094 7.010 -2.443 1.00 0.41 C ATOM 1009 O VAL A 92 17.324 6.130 -2.809 1.00 0.40 O ATOM 1010 CB VAL A 92 17.965 8.073 -0.193 1.00 0.44 C ATOM 1011 CG1 VAL A 92 17.390 9.203 0.608 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.500 6.751 0.355 1.00 0.40 C ATOM 0 H VAL A 92 15.630 7.534 -1.445 1.00 0.45 H new ATOM 0 HA VAL A 92 18.032 9.134 -2.061 1.00 0.43 H new ATOM 0 HB VAL A 92 19.052 8.108 -0.118 1.00 0.44 H new ATOM 0 HG11 VAL A 92 17.670 9.086 1.655 1.00 0.53 H new ATOM 0 HG12 VAL A 92 17.778 10.150 0.232 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.304 9.195 0.520 1.00 0.53 H new ATOM 0 HG21 VAL A 92 17.784 6.672 1.405 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.416 6.681 0.266 1.00 0.40 H new ATOM 0 HG23 VAL A 92 17.963 5.941 -0.208 1.00 0.40 H new ATOM 1022 N ASP A 93 19.372 6.977 -2.722 1.00 0.44 N ATOM 1023 CA ASP A 93 19.963 5.813 -3.356 1.00 0.45 C ATOM 1024 C ASP A 93 20.935 5.156 -2.396 1.00 0.46 C ATOM 1025 O ASP A 93 21.663 5.837 -1.674 1.00 0.57 O ATOM 1026 CB ASP A 93 20.658 6.214 -4.646 1.00 0.56 C ATOM 1027 CG ASP A 93 21.219 5.034 -5.412 1.00 1.17 C ATOM 1028 OD1 ASP A 93 22.360 4.624 -5.127 1.00 1.83 O ATOM 1029 OD2 ASP A 93 20.525 4.527 -6.318 1.00 1.78 O ATOM 0 H ASP A 93 20.025 7.735 -2.524 1.00 0.44 H new ATOM 0 HA ASP A 93 19.180 5.097 -3.606 1.00 0.45 H new ATOM 0 HB2 ASP A 93 19.952 6.749 -5.281 1.00 0.56 H new ATOM 0 HB3 ASP A 93 21.467 6.907 -4.415 1.00 0.56 H new ATOM 1034 N GLY A 94 20.930 3.838 -2.379 1.00 0.42 N ATOM 1035 CA GLY A 94 21.726 3.112 -1.412 1.00 0.43 C ATOM 1036 C GLY A 94 20.879 2.534 -0.291 1.00 0.40 C ATOM 1037 O GLY A 94 21.131 1.426 0.178 1.00 0.48 O ATOM 0 H GLY A 94 20.390 3.254 -3.017 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.260 2.306 -1.915 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.479 3.778 -0.990 1.00 0.43 H new ATOM 1041 N CYS A 95 19.845 3.266 0.113 1.00 0.33 N ATOM 1042 CA CYS A 95 18.972 2.831 1.205 1.00 0.31 C ATOM 1043 C CYS A 95 18.050 1.751 0.688 1.00 0.27 C ATOM 1044 O CYS A 95 17.685 0.813 1.394 1.00 0.32 O ATOM 1045 CB CYS A 95 18.156 4.011 1.734 1.00 0.33 C ATOM 1046 SG CYS A 95 17.148 3.630 3.203 1.00 0.42 S ATOM 0 H CYS A 95 19.589 4.164 -0.298 1.00 0.33 H new ATOM 0 HA CYS A 95 19.576 2.440 2.024 1.00 0.31 H new ATOM 0 HB2 CYS A 95 18.836 4.828 1.977 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.500 4.368 0.940 1.00 0.33 H new ATOM 1051 N PHE A 96 17.695 1.895 -0.570 1.00 0.24 N ATOM 1052 CA PHE A 96 16.921 0.896 -1.269 1.00 0.23 C ATOM 1053 C PHE A 96 17.867 0.101 -2.154 1.00 0.24 C ATOM 1054 O PHE A 96 17.457 -0.434 -3.183 1.00 0.23 O ATOM 1055 CB PHE A 96 15.843 1.554 -2.133 1.00 0.24 C ATOM 1056 CG PHE A 96 15.205 2.748 -1.499 1.00 0.23 C ATOM 1057 CD1 PHE A 96 14.102 2.656 -0.667 1.00 0.21 C ATOM 1058 CD2 PHE A 96 15.749 3.978 -1.732 1.00 0.30 C ATOM 1059 CE1 PHE A 96 13.569 3.784 -0.086 1.00 0.24 C ATOM 1060 CE2 PHE A 96 15.227 5.109 -1.152 1.00 0.35 C ATOM 1061 CZ PHE A 96 14.141 5.011 -0.326 1.00 0.31 C ATOM 0 H PHE A 96 17.935 2.709 -1.136 1.00 0.24 H new ATOM 0 HA PHE A 96 16.427 0.245 -0.548 1.00 0.23 H new ATOM 0 HB2 PHE A 96 16.285 1.852 -3.084 1.00 0.24 H new ATOM 0 HB3 PHE A 96 15.071 0.818 -2.357 1.00 0.24 H new ATOM 0 HD1 PHE A 96 13.657 1.692 -0.472 1.00 0.21 H new ATOM 0 HD2 PHE A 96 16.606 4.064 -2.384 1.00 0.30 H new ATOM 0 HE1 PHE A 96 12.704 3.706 0.556 1.00 0.24 H new ATOM 0 HE2 PHE A 96 15.673 6.073 -1.348 1.00 0.35 H new ATOM 0 HZ PHE A 96 13.733 5.897 0.137 1.00 0.31 H new ATOM 1071 N MET A 97 19.138 0.027 -1.734 1.00 0.27 N ATOM 1072 CA MET A 97 20.184 -0.609 -2.517 1.00 0.29 C ATOM 1073 C MET A 97 20.039 -0.256 -3.990 1.00 0.31 C ATOM 1074 O MET A 97 20.070 0.916 -4.364 1.00 0.40 O ATOM 1075 CB MET A 97 20.124 -2.117 -2.322 1.00 0.29 C ATOM 1076 CG MET A 97 20.325 -2.549 -0.890 1.00 0.33 C ATOM 1077 SD MET A 97 20.606 -4.323 -0.758 1.00 0.45 S ATOM 1078 CE MET A 97 20.854 -4.474 1.003 1.00 1.22 C ATOM 0 H MET A 97 19.460 0.408 -0.844 1.00 0.27 H new ATOM 0 HA MET A 97 21.153 -0.245 -2.176 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.158 -2.482 -2.671 1.00 0.29 H new ATOM 0 HB3 MET A 97 20.886 -2.586 -2.945 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.174 -2.014 -0.465 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.449 -2.275 -0.302 1.00 0.33 H new ATOM 0 HE1 MET A 97 21.042 -5.518 1.256 1.00 1.22 H new ATOM 0 HE2 MET A 97 21.709 -3.868 1.303 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.963 -4.128 1.527 1.00 1.22 H new ATOM 1088 N ASP A 98 19.869 -1.278 -4.806 1.00 0.30 N ATOM 1089 CA ASP A 98 19.479 -1.095 -6.191 1.00 0.31 C ATOM 1090 C ASP A 98 18.227 -1.892 -6.472 1.00 0.26 C ATOM 1091 O ASP A 98 17.282 -1.393 -7.081 1.00 0.25 O ATOM 1092 CB ASP A 98 20.587 -1.540 -7.148 1.00 0.40 C ATOM 1093 CG ASP A 98 21.764 -0.587 -7.192 1.00 1.01 C ATOM 1094 OD1 ASP A 98 21.660 0.464 -7.864 1.00 1.64 O ATOM 1095 OD2 ASP A 98 22.783 -0.863 -6.524 1.00 1.19 O ATOM 0 H ASP A 98 19.996 -2.252 -4.531 1.00 0.30 H new ATOM 0 HA ASP A 98 19.294 -0.033 -6.352 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.940 -2.527 -6.850 1.00 0.40 H new ATOM 0 HB3 ASP A 98 20.172 -1.639 -8.151 1.00 0.40 H new ATOM 1100 N ALA A 99 18.200 -3.119 -5.977 1.00 0.24 N ATOM 1101 CA ALA A 99 17.118 -4.030 -6.291 1.00 0.24 C ATOM 1102 C ALA A 99 15.902 -3.731 -5.436 1.00 0.20 C ATOM 1103 O ALA A 99 14.767 -4.003 -5.826 1.00 0.20 O ATOM 1104 CB ALA A 99 17.564 -5.470 -6.121 1.00 0.28 C ATOM 0 H ALA A 99 18.914 -3.504 -5.358 1.00 0.24 H new ATOM 0 HA ALA A 99 16.839 -3.886 -7.335 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.737 -6.138 -6.362 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.401 -5.673 -6.789 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.875 -5.635 -5.090 1.00 0.28 H new ATOM 1110 N GLN A 100 16.152 -3.152 -4.277 1.00 0.18 N ATOM 1111 CA GLN A 100 15.087 -2.758 -3.374 1.00 0.16 C ATOM 1112 C GLN A 100 14.344 -1.581 -3.973 1.00 0.14 C ATOM 1113 O GLN A 100 13.130 -1.461 -3.854 1.00 0.13 O ATOM 1114 CB GLN A 100 15.655 -2.367 -2.013 1.00 0.19 C ATOM 1115 CG GLN A 100 16.658 -3.370 -1.458 1.00 0.23 C ATOM 1116 CD GLN A 100 17.006 -3.127 -0.001 1.00 0.29 C ATOM 1117 OE1 GLN A 100 16.966 -1.876 0.420 1.00 0.83 O flip ATOM 1118 NE2 GLN A 100 17.310 -4.059 0.742 1.00 1.27 N flip ATOM 0 H GLN A 100 17.091 -2.943 -3.937 1.00 0.18 H new ATOM 0 HA GLN A 100 14.407 -3.599 -3.235 1.00 0.16 H new ATOM 0 HB2 GLN A 100 16.137 -1.393 -2.096 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.834 -2.257 -1.304 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.252 -4.376 -1.565 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.570 -3.329 -2.054 1.00 0.23 H new ATOM 0 HE21 GLN A 100 17.330 -5.013 0.381 1.00 1.27 H new ATOM 0 HE22 GLN A 100 17.542 -3.878 1.719 1.00 1.27 H new ATOM 1127 N LYS A 101 15.108 -0.708 -4.609 1.00 0.16 N ATOM 1128 CA LYS A 101 14.554 0.415 -5.339 1.00 0.17 C ATOM 1129 C LYS A 101 13.709 -0.078 -6.504 1.00 0.17 C ATOM 1130 O LYS A 101 12.606 0.416 -6.729 1.00 0.17 O ATOM 1131 CB LYS A 101 15.674 1.327 -5.835 1.00 0.23 C ATOM 1132 CG LYS A 101 15.194 2.445 -6.723 1.00 0.28 C ATOM 1133 CD LYS A 101 16.307 3.442 -7.002 1.00 0.50 C ATOM 1134 CE LYS A 101 16.027 4.283 -8.235 1.00 1.21 C ATOM 1135 NZ LYS A 101 14.691 4.933 -8.193 1.00 1.85 N ATOM 0 H LYS A 101 16.126 -0.759 -4.632 1.00 0.16 H new ATOM 0 HA LYS A 101 13.914 0.988 -4.668 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.191 1.754 -4.975 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.403 0.729 -6.381 1.00 0.23 H new ATOM 0 HG2 LYS A 101 14.826 2.034 -7.663 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.356 2.955 -6.249 1.00 0.28 H new ATOM 0 HD2 LYS A 101 16.432 4.096 -6.139 1.00 0.50 H new ATOM 0 HD3 LYS A 101 17.247 2.907 -7.135 1.00 0.50 H new ATOM 0 HE2 LYS A 101 16.797 5.049 -8.330 1.00 1.21 H new ATOM 0 HE3 LYS A 101 16.093 3.653 -9.122 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 14.664 5.715 -8.878 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 13.958 4.236 -8.435 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 14.515 5.303 -7.237 1.00 1.85 H new ATOM 1149 N ILE A 102 14.241 -1.042 -7.249 1.00 0.17 N ATOM 1150 CA ILE A 102 13.470 -1.741 -8.268 1.00 0.18 C ATOM 1151 C ILE A 102 12.164 -2.268 -7.688 1.00 0.15 C ATOM 1152 O ILE A 102 11.095 -2.060 -8.253 1.00 0.15 O ATOM 1153 CB ILE A 102 14.282 -2.910 -8.842 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.576 -2.372 -9.440 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.479 -3.676 -9.891 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.588 -3.441 -9.772 1.00 0.25 C ATOM 0 H ILE A 102 15.207 -1.357 -7.164 1.00 0.17 H new ATOM 0 HA ILE A 102 13.243 -1.033 -9.065 1.00 0.18 H new ATOM 0 HB ILE A 102 14.516 -3.608 -8.039 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.341 -1.814 -10.346 1.00 0.23 H new ATOM 0 HG13 ILE A 102 16.023 -1.667 -8.739 1.00 0.23 H new ATOM 0 HG21 ILE A 102 14.080 -4.498 -10.280 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.571 -4.073 -9.436 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.212 -3.004 -10.707 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.481 -2.979 -10.193 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.854 -3.984 -8.865 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.161 -4.133 -10.498 1.00 0.25 H new ATOM 1168 N ALA A 103 12.268 -2.931 -6.540 1.00 0.13 N ATOM 1169 CA ALA A 103 11.107 -3.452 -5.824 1.00 0.11 C ATOM 1170 C ALA A 103 10.084 -2.356 -5.553 1.00 0.10 C ATOM 1171 O ALA A 103 8.877 -2.569 -5.639 1.00 0.10 O ATOM 1172 CB ALA A 103 11.554 -4.054 -4.510 1.00 0.11 C ATOM 0 H ALA A 103 13.158 -3.122 -6.080 1.00 0.13 H new ATOM 0 HA ALA A 103 10.637 -4.213 -6.448 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.688 -4.443 -3.975 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.257 -4.865 -4.702 1.00 0.11 H new ATOM 0 HB3 ALA A 103 12.040 -3.288 -3.906 1.00 0.11 H new ATOM 1178 N ILE A 104 10.593 -1.182 -5.235 1.00 0.10 N ATOM 1179 CA ILE A 104 9.770 -0.041 -4.885 1.00 0.11 C ATOM 1180 C ILE A 104 9.157 0.590 -6.122 1.00 0.12 C ATOM 1181 O ILE A 104 8.009 1.032 -6.104 1.00 0.13 O ATOM 1182 CB ILE A 104 10.618 0.975 -4.114 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.924 0.412 -2.745 1.00 0.14 C ATOM 1184 CG2 ILE A 104 9.954 2.334 -3.983 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.524 1.434 -1.835 1.00 0.17 C ATOM 0 H ILE A 104 11.595 -0.992 -5.212 1.00 0.10 H new ATOM 0 HA ILE A 104 8.948 -0.375 -4.252 1.00 0.11 H new ATOM 0 HB ILE A 104 11.534 1.138 -4.682 1.00 0.11 H new ATOM 0 HG12 ILE A 104 10.007 0.025 -2.300 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.609 -0.430 -2.845 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.607 3.006 -3.427 1.00 0.15 H new ATOM 0 HG22 ILE A 104 9.770 2.746 -4.975 1.00 0.15 H new ATOM 0 HG23 ILE A 104 9.008 2.227 -3.453 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.726 0.982 -0.864 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.455 1.802 -2.265 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.829 2.264 -1.711 1.00 0.17 H new ATOM 1197 N ASP A 105 9.926 0.612 -7.199 1.00 0.13 N ATOM 1198 CA ASP A 105 9.421 1.069 -8.487 1.00 0.16 C ATOM 1199 C ASP A 105 8.292 0.152 -8.918 1.00 0.14 C ATOM 1200 O ASP A 105 7.255 0.589 -9.418 1.00 0.17 O ATOM 1201 CB ASP A 105 10.530 1.041 -9.528 1.00 0.21 C ATOM 1202 CG ASP A 105 10.173 1.817 -10.779 1.00 0.36 C ATOM 1203 OD1 ASP A 105 10.357 3.052 -10.785 1.00 0.53 O ATOM 1204 OD2 ASP A 105 9.725 1.192 -11.764 1.00 0.44 O ATOM 0 H ASP A 105 10.903 0.319 -7.208 1.00 0.13 H new ATOM 0 HA ASP A 105 9.059 2.093 -8.395 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.440 1.455 -9.095 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.746 0.007 -9.796 1.00 0.21 H new ATOM 1209 N LYS A 106 8.523 -1.134 -8.700 1.00 0.13 N ATOM 1210 CA LYS A 106 7.513 -2.163 -8.899 1.00 0.13 C ATOM 1211 C LYS A 106 6.278 -1.891 -8.043 1.00 0.12 C ATOM 1212 O LYS A 106 5.151 -1.942 -8.528 1.00 0.14 O ATOM 1213 CB LYS A 106 8.089 -3.525 -8.524 1.00 0.14 C ATOM 1214 CG LYS A 106 9.142 -4.035 -9.472 1.00 0.16 C ATOM 1215 CD LYS A 106 10.035 -5.058 -8.790 1.00 0.18 C ATOM 1216 CE LYS A 106 10.858 -5.840 -9.794 1.00 0.22 C ATOM 1217 NZ LYS A 106 11.916 -6.653 -9.146 1.00 0.29 N ATOM 0 H LYS A 106 9.421 -1.495 -8.378 1.00 0.13 H new ATOM 0 HA LYS A 106 7.220 -2.154 -9.949 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.517 -3.462 -7.524 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.276 -4.250 -8.478 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.666 -4.485 -10.343 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.746 -3.203 -9.833 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.700 -4.552 -8.090 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.422 -5.746 -8.207 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.201 -6.494 -10.368 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.316 -5.149 -10.501 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 12.473 -7.143 -9.875 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 12.540 -6.033 -8.592 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.478 -7.355 -8.516 1.00 0.29 H new ATOM 1231 N LEU A 107 6.506 -1.619 -6.763 1.00 0.10 N ATOM 1232 CA LEU A 107 5.426 -1.369 -5.817 1.00 0.11 C ATOM 1233 C LEU A 107 4.627 -0.127 -6.200 1.00 0.10 C ATOM 1234 O LEU A 107 3.400 -0.169 -6.239 1.00 0.11 O ATOM 1235 CB LEU A 107 6.001 -1.249 -4.384 1.00 0.13 C ATOM 1236 CG LEU A 107 5.583 -0.017 -3.572 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.161 -0.151 -3.055 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.549 0.206 -2.422 1.00 0.15 C ATOM 0 H LEU A 107 7.439 -1.566 -6.354 1.00 0.10 H new ATOM 0 HA LEU A 107 4.736 -2.213 -5.846 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.710 -2.139 -3.826 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.089 -1.258 -4.453 1.00 0.13 H new ATOM 0 HG LEU A 107 5.615 0.849 -4.233 1.00 0.11 H new ATOM 0 HD11 LEU A 107 3.896 0.739 -2.484 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.477 -0.259 -3.896 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.088 -1.029 -2.413 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.241 1.083 -1.853 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.547 -0.668 -1.770 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.553 0.363 -2.816 1.00 0.15 H new ATOM 1250 N PHE A 108 5.315 0.957 -6.514 1.00 0.10 N ATOM 1251 CA PHE A 108 4.644 2.219 -6.796 1.00 0.11 C ATOM 1252 C PHE A 108 3.893 2.198 -8.127 1.00 0.12 C ATOM 1253 O PHE A 108 2.830 2.808 -8.253 1.00 0.14 O ATOM 1254 CB PHE A 108 5.628 3.388 -6.734 1.00 0.12 C ATOM 1255 CG PHE A 108 5.926 3.833 -5.324 1.00 0.12 C ATOM 1256 CD1 PHE A 108 5.098 3.471 -4.274 1.00 0.15 C ATOM 1257 CD2 PHE A 108 7.045 4.608 -5.052 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.385 3.874 -2.980 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.331 5.013 -3.766 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.445 4.659 -2.721 1.00 0.14 C ATOM 0 H PHE A 108 6.332 0.992 -6.581 1.00 0.10 H new ATOM 0 HA PHE A 108 3.895 2.360 -6.017 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.559 3.099 -7.222 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.221 4.229 -7.296 1.00 0.12 H new ATOM 0 HD1 PHE A 108 4.222 2.870 -4.466 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.701 4.898 -5.860 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.749 3.553 -2.169 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.219 5.592 -3.559 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.620 5.019 -1.718 1.00 0.14 H new ATOM 1270 N SER A 109 4.422 1.491 -9.112 1.00 0.13 N ATOM 1271 CA SER A 109 3.734 1.347 -10.383 1.00 0.14 C ATOM 1272 C SER A 109 2.478 0.490 -10.220 1.00 0.14 C ATOM 1273 O SER A 109 1.511 0.645 -10.962 1.00 0.16 O ATOM 1274 CB SER A 109 4.676 0.744 -11.419 1.00 0.17 C ATOM 1275 OG SER A 109 5.177 -0.508 -10.987 1.00 1.14 O ATOM 0 H SER A 109 5.320 1.011 -9.056 1.00 0.13 H new ATOM 0 HA SER A 109 3.423 2.332 -10.730 1.00 0.14 H new ATOM 0 HB2 SER A 109 4.150 0.621 -12.365 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.505 1.427 -11.602 1.00 0.17 H new ATOM 0 HG SER A 109 5.937 -0.366 -10.385 1.00 1.14 H new ATOM 1281 N MET A 110 2.504 -0.408 -9.238 1.00 0.13 N ATOM 1282 CA MET A 110 1.363 -1.273 -8.947 1.00 0.14 C ATOM 1283 C MET A 110 0.116 -0.482 -8.603 1.00 0.14 C ATOM 1284 O MET A 110 -0.941 -0.706 -9.190 1.00 0.16 O ATOM 1285 CB MET A 110 1.667 -2.189 -7.779 1.00 0.13 C ATOM 1286 CG MET A 110 2.446 -3.428 -8.134 1.00 0.17 C ATOM 1287 SD MET A 110 2.285 -4.668 -6.847 1.00 0.23 S ATOM 1288 CE MET A 110 2.251 -3.603 -5.412 1.00 0.14 C ATOM 0 H MET A 110 3.307 -0.556 -8.627 1.00 0.13 H new ATOM 0 HA MET A 110 1.182 -1.851 -9.853 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.226 -1.627 -7.031 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.727 -2.488 -7.316 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.087 -3.831 -9.081 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.497 -3.175 -8.273 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.208 -4.211 -4.508 1.00 0.14 H new ATOM 0 HE2 MET A 110 3.151 -2.989 -5.393 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.373 -2.958 -5.458 1.00 0.14 H new ATOM 1298 N LEU A 111 0.232 0.436 -7.641 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.926 1.203 -7.201 1.00 0.15 C ATOM 1300 C LEU A 111 -1.481 1.962 -8.380 1.00 0.17 C ATOM 1301 O LEU A 111 -2.676 1.975 -8.628 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.596 2.230 -6.107 1.00 0.17 C ATOM 1303 CG LEU A 111 0.297 1.783 -4.949 1.00 0.15 C ATOM 1304 CD1 LEU A 111 0.131 0.299 -4.645 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.747 2.140 -5.233 1.00 0.15 C ATOM 0 H LEU A 111 1.103 0.661 -7.161 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.637 0.487 -6.789 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.119 3.086 -6.585 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.537 2.583 -5.686 1.00 0.17 H new ATOM 0 HG LEU A 111 -0.017 2.320 -4.054 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.783 0.022 -3.816 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -0.905 0.097 -4.375 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.397 -0.285 -5.526 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.371 1.816 -4.400 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.072 1.641 -6.146 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.839 3.219 -5.357 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.571 2.562 -9.117 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.906 3.402 -10.245 1.00 0.22 C ATOM 1319 C LYS A 112 -1.501 2.592 -11.394 1.00 0.21 C ATOM 1320 O LYS A 112 -2.212 3.135 -12.240 1.00 0.24 O ATOM 1321 CB LYS A 112 0.350 4.136 -10.691 1.00 0.29 C ATOM 1322 CG LYS A 112 0.823 5.176 -9.688 1.00 0.36 C ATOM 1323 CD LYS A 112 2.117 5.815 -10.127 1.00 0.47 C ATOM 1324 CE LYS A 112 1.898 6.629 -11.379 1.00 1.22 C ATOM 1325 NZ LYS A 112 3.155 7.248 -11.869 1.00 1.82 N ATOM 0 H LYS A 112 0.431 2.479 -8.948 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.668 4.120 -9.942 1.00 0.22 H new ATOM 0 HB2 LYS A 112 1.147 3.411 -10.857 1.00 0.29 H new ATOM 0 HB3 LYS A 112 0.158 4.623 -11.647 1.00 0.29 H new ATOM 0 HG2 LYS A 112 0.058 5.944 -9.569 1.00 0.36 H new ATOM 0 HG3 LYS A 112 0.959 4.708 -8.713 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.504 6.453 -9.333 1.00 0.47 H new ATOM 0 HD3 LYS A 112 2.867 5.046 -10.311 1.00 0.47 H new ATOM 0 HE2 LYS A 112 1.481 5.990 -12.158 1.00 1.22 H new ATOM 0 HE3 LYS A 112 1.164 7.409 -11.180 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 3.007 8.267 -12.012 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 3.910 7.102 -11.168 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 3.430 6.808 -12.771 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.212 1.296 -11.425 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.810 0.412 -12.414 1.00 0.22 C ATOM 1341 C ASP A 113 -3.167 -0.018 -11.914 1.00 0.21 C ATOM 1342 O ASP A 113 -4.045 -0.434 -12.667 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.919 -0.808 -12.604 1.00 0.25 C ATOM 1344 CG ASP A 113 -1.392 -1.740 -13.701 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -0.973 -1.558 -14.862 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -2.152 -2.683 -13.401 1.00 0.46 O ATOM 0 H ASP A 113 -0.570 0.837 -10.779 1.00 0.20 H new ATOM 0 HA ASP A 113 -1.914 0.928 -13.369 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.094 -0.476 -12.833 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.869 -1.361 -11.666 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.313 0.134 -10.621 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.541 -0.183 -9.951 1.00 0.17 C ATOM 1353 C GLY A 114 -4.377 -1.380 -9.055 1.00 0.15 C ATOM 1354 O GLY A 114 -4.600 -2.515 -9.478 1.00 0.18 O ATOM 0 H GLY A 114 -2.578 0.483 -10.005 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.869 0.674 -9.362 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.320 -0.380 -10.687 1.00 0.17 H new ATOM 1358 N VAL A 115 -3.968 -1.136 -7.822 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.807 -2.203 -6.864 1.00 0.12 C ATOM 1360 C VAL A 115 -5.064 -2.286 -6.014 1.00 0.12 C ATOM 1361 O VAL A 115 -5.571 -1.277 -5.536 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.538 -2.014 -5.981 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.876 -1.873 -4.512 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.555 -3.148 -6.207 1.00 0.14 C ATOM 0 H VAL A 115 -3.743 -0.207 -7.466 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.663 -3.140 -7.402 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.068 -1.080 -6.288 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.958 -1.744 -3.938 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.519 -1.005 -4.368 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.394 -2.769 -4.170 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.675 -2.997 -5.581 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -2.027 -4.096 -5.948 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.256 -3.167 -7.255 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.597 -3.472 -5.883 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.774 -3.677 -5.084 1.00 0.13 C ATOM 1376 C VAL A 116 -6.426 -4.460 -3.830 1.00 0.10 C ATOM 1377 O VAL A 116 -5.810 -5.524 -3.890 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.882 -4.384 -5.888 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.389 -5.684 -6.495 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -9.111 -4.617 -5.023 1.00 0.23 C ATOM 0 H VAL A 116 -5.231 -4.316 -6.323 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.160 -2.701 -4.788 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.163 -3.727 -6.711 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -8.198 -6.154 -7.054 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.555 -5.479 -7.166 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -7.060 -6.354 -5.701 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.880 -5.117 -5.611 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.843 -5.241 -4.170 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.492 -3.660 -4.667 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.781 -3.892 -2.697 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.535 -4.518 -1.419 1.00 0.11 C ATOM 1392 C LEU A 117 -7.490 -5.696 -1.248 1.00 0.12 C ATOM 1393 O LEU A 117 -8.684 -5.539 -1.474 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.703 -3.482 -0.305 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.622 -2.380 -0.231 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -4.534 -2.572 -1.276 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -6.244 -0.995 -0.352 1.00 0.24 C ATOM 0 H LEU A 117 -7.247 -2.986 -2.638 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.515 -4.899 -1.368 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.674 -3.002 -0.427 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -6.724 -4.006 0.650 1.00 0.15 H new ATOM 0 HG LEU A 117 -5.150 -2.464 0.748 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -3.797 -1.774 -1.185 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.047 -3.535 -1.121 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -4.977 -2.545 -2.272 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.461 -0.239 -0.297 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -6.763 -0.911 -1.307 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.954 -0.843 0.461 1.00 0.24 H new ATOM 1409 N LYS A 118 -6.938 -6.865 -0.882 1.00 0.14 N ATOM 1410 CA LYS A 118 -7.663 -8.148 -0.796 1.00 0.18 C ATOM 1411 C LYS A 118 -6.665 -9.291 -0.948 1.00 0.22 C ATOM 1412 O LYS A 118 -5.606 -9.115 -1.545 1.00 0.27 O ATOM 1413 CB LYS A 118 -8.756 -8.308 -1.875 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.150 -7.875 -1.418 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.214 -8.085 -2.483 1.00 0.34 C ATOM 1416 CE LYS A 118 -10.954 -7.249 -3.724 1.00 0.39 C ATOM 1417 NZ LYS A 118 -10.200 -8.001 -4.770 1.00 0.80 N ATOM 0 H LYS A 118 -5.953 -6.948 -0.632 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.159 -8.166 0.174 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.475 -7.724 -2.752 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -8.795 -9.352 -2.186 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.423 -8.434 -0.523 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.125 -6.821 -1.140 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.248 -9.139 -2.757 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.191 -7.830 -2.073 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.905 -6.912 -4.137 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.393 -6.357 -3.446 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -9.487 -7.378 -5.200 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -9.728 -8.820 -4.336 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -10.859 -8.330 -5.504 1.00 0.80 H new ATOM 1431 N GLY A 119 -6.999 -10.451 -0.407 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.138 -11.608 -0.555 1.00 0.38 C ATOM 1433 C GLY A 119 -6.917 -12.905 -0.579 1.00 0.53 C ATOM 1434 O GLY A 119 -8.134 -12.903 -0.404 1.00 0.85 O ATOM 0 H GLY A 119 -7.850 -10.614 0.132 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -5.563 -11.515 -1.477 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -5.422 -11.632 0.266 1.00 0.38 H new ATOM 1519 N THR A 125 -6.375 -7.451 8.038 1.00 0.54 N ATOM 1520 CA THR A 125 -5.086 -7.088 7.482 1.00 0.40 C ATOM 1521 C THR A 125 -5.230 -6.803 5.988 1.00 0.29 C ATOM 1522 O THR A 125 -5.999 -7.474 5.294 1.00 0.34 O ATOM 1523 CB THR A 125 -4.048 -8.203 7.704 1.00 0.39 C ATOM 1524 OG1 THR A 125 -3.959 -8.527 9.099 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.686 -7.771 7.197 1.00 0.37 C ATOM 0 HA THR A 125 -4.735 -6.192 7.994 1.00 0.40 H new ATOM 0 HB THR A 125 -4.370 -9.084 7.149 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.851 -8.485 9.502 1.00 0.51 H new ATOM 0 HG21 THR A 125 -1.965 -8.572 7.362 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.747 -7.552 6.131 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.365 -6.878 7.733 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.501 -5.809 5.496 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.630 -5.394 4.108 1.00 0.15 C ATOM 1535 C ILE A 126 -3.603 -6.096 3.235 1.00 0.14 C ATOM 1536 O ILE A 126 -2.461 -6.287 3.642 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.450 -3.871 3.942 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -4.974 -3.123 5.172 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.180 -3.405 2.698 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.043 -1.618 4.993 1.00 0.16 C ATOM 0 H ILE A 126 -3.818 -5.278 6.036 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.638 -5.669 3.797 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.387 -3.654 3.840 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -5.969 -3.496 5.415 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.332 -3.349 6.023 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.052 -2.329 2.583 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.773 -3.915 1.825 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.241 -3.636 2.791 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.423 -1.160 5.906 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.046 -1.231 4.781 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.709 -1.380 4.163 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.006 -6.477 2.037 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.102 -7.127 1.104 1.00 0.12 C ATOM 1554 C LEU A 127 -3.172 -6.421 -0.240 1.00 0.11 C ATOM 1555 O LEU A 127 -4.239 -5.999 -0.663 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.450 -8.611 0.953 1.00 0.15 C ATOM 1557 CG LEU A 127 -3.697 -9.345 2.268 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.182 -10.758 2.003 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.428 -9.360 3.097 1.00 0.20 C ATOM 0 H LEU A 127 -4.955 -6.348 1.686 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.085 -7.062 1.491 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.340 -8.700 0.330 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.638 -9.108 0.422 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.472 -8.820 2.826 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.353 -11.268 2.951 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.113 -10.723 1.436 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -3.429 -11.300 1.431 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.612 -9.885 4.034 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -1.638 -9.869 2.544 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.120 -8.336 3.309 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.036 -6.289 -0.889 1.00 0.11 N ATOM 1572 CA ILE A 128 -1.925 -5.508 -2.121 1.00 0.11 C ATOM 1573 C ILE A 128 -1.868 -6.412 -3.356 1.00 0.13 C ATOM 1574 O ILE A 128 -0.919 -7.183 -3.535 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.666 -4.617 -2.085 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.749 -3.609 -0.940 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.464 -3.906 -3.410 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.466 -2.716 -0.833 1.00 0.12 C ATOM 0 H ILE A 128 -1.160 -6.715 -0.586 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.815 -4.882 -2.189 1.00 0.11 H new ATOM 0 HB ILE A 128 0.196 -5.261 -1.913 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.635 -2.989 -1.076 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -0.878 -4.147 -0.001 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.430 -3.285 -3.357 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.347 -4.643 -4.204 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.330 -3.278 -3.622 1.00 0.11 H new ATOM 0 HD11 ILE A 128 0.338 -2.026 0.001 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.353 -3.327 -0.666 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.584 -2.150 -1.757 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.864 -6.285 -4.222 1.00 0.15 N ATOM 1591 CA GLU A 129 -3.007 -7.161 -5.367 1.00 0.19 C ATOM 1592 C GLU A 129 -3.266 -6.354 -6.644 1.00 0.17 C ATOM 1593 O GLU A 129 -3.964 -5.349 -6.614 1.00 0.19 O ATOM 1594 CB GLU A 129 -4.165 -8.134 -5.110 1.00 0.27 C ATOM 1595 CG GLU A 129 -5.032 -8.380 -6.329 1.00 0.34 C ATOM 1596 CD GLU A 129 -6.129 -9.399 -6.089 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -5.858 -10.618 -6.188 1.00 1.62 O ATOM 1598 OE2 GLU A 129 -7.267 -8.989 -5.786 1.00 0.71 O ATOM 0 H GLU A 129 -3.591 -5.573 -4.148 1.00 0.15 H new ATOM 0 HA GLU A 129 -2.081 -7.719 -5.507 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.760 -9.085 -4.765 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.787 -7.741 -4.305 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -5.483 -7.438 -6.642 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -4.403 -8.721 -7.151 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.692 -6.792 -7.754 1.00 0.18 N ATOM 1606 CA LYS A 130 -3.025 -6.243 -9.066 1.00 0.21 C ATOM 1607 C LYS A 130 -2.673 -7.258 -10.143 1.00 0.29 C ATOM 1608 O LYS A 130 -1.755 -8.061 -9.968 1.00 0.31 O ATOM 1609 CB LYS A 130 -2.392 -4.847 -9.333 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.885 -4.708 -9.121 1.00 0.19 C ATOM 1611 CD LYS A 130 -0.083 -5.229 -10.294 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.123 -4.231 -11.432 1.00 0.25 C ATOM 1613 NZ LYS A 130 0.728 -4.650 -12.573 1.00 0.39 N ATOM 0 H LYS A 130 -1.989 -7.530 -7.775 1.00 0.18 H new ATOM 0 HA LYS A 130 -4.100 -6.062 -9.089 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.615 -4.567 -10.363 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.891 -4.122 -8.690 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.640 -3.659 -8.955 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.597 -5.249 -8.220 1.00 0.19 H new ATOM 0 HD2 LYS A 130 0.949 -5.405 -9.990 1.00 0.25 H new ATOM 0 HD3 LYS A 130 -0.486 -6.186 -10.624 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.152 -4.111 -11.772 1.00 0.25 H new ATOM 0 HE3 LYS A 130 0.209 -3.257 -11.071 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 0.946 -3.823 -13.165 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 1.613 -5.062 -12.213 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 0.222 -5.359 -13.141 1.00 0.39 H new ATOM 1627 N ASP A 131 -3.447 -7.236 -11.225 1.00 0.38 N ATOM 1628 CA ASP A 131 -3.349 -8.216 -12.311 1.00 0.49 C ATOM 1629 C ASP A 131 -3.909 -9.570 -11.894 1.00 0.47 C ATOM 1630 O ASP A 131 -3.640 -10.588 -12.528 1.00 0.52 O ATOM 1631 CB ASP A 131 -1.920 -8.356 -12.845 1.00 0.55 C ATOM 1632 CG ASP A 131 -1.494 -7.140 -13.641 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -2.362 -6.518 -14.293 1.00 1.03 O ATOM 1634 OD2 ASP A 131 -0.295 -6.798 -13.616 1.00 1.13 O ATOM 0 H ASP A 131 -4.168 -6.531 -11.377 1.00 0.38 H new ATOM 0 HA ASP A 131 -3.961 -7.833 -13.128 1.00 0.49 H new ATOM 0 HB2 ASP A 131 -1.233 -8.503 -12.011 1.00 0.55 H new ATOM 0 HB3 ASP A 131 -1.853 -9.244 -13.474 1.00 0.55 H new ATOM 1639 N GLY A 132 -4.709 -9.569 -10.834 1.00 0.48 N ATOM 1640 CA GLY A 132 -5.404 -10.774 -10.427 1.00 0.51 C ATOM 1641 C GLY A 132 -4.671 -11.568 -9.365 1.00 0.45 C ATOM 1642 O GLY A 132 -5.054 -12.698 -9.063 1.00 0.52 O ATOM 0 H GLY A 132 -4.888 -8.753 -10.249 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -6.391 -10.505 -10.051 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -5.558 -11.407 -11.301 1.00 0.51 H new ATOM 1646 N GLU A 133 -3.621 -10.992 -8.797 1.00 0.47 N ATOM 1647 CA GLU A 133 -2.868 -11.672 -7.752 1.00 0.45 C ATOM 1648 C GLU A 133 -2.221 -10.672 -6.812 1.00 0.33 C ATOM 1649 O GLU A 133 -1.897 -9.543 -7.196 1.00 0.30 O ATOM 1650 CB GLU A 133 -1.786 -12.575 -8.340 1.00 0.54 C ATOM 1651 CG GLU A 133 -0.591 -11.806 -8.857 1.00 0.56 C ATOM 1652 CD GLU A 133 0.433 -12.687 -9.541 1.00 0.76 C ATOM 1653 OE1 GLU A 133 0.033 -13.606 -10.285 1.00 1.31 O ATOM 1654 OE2 GLU A 133 1.646 -12.456 -9.342 1.00 1.24 O ATOM 0 H GLU A 133 -3.273 -10.064 -9.039 1.00 0.47 H new ATOM 0 HA GLU A 133 -3.578 -12.286 -7.197 1.00 0.45 H new ATOM 0 HB2 GLU A 133 -1.455 -13.280 -7.577 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -2.213 -13.162 -9.153 1.00 0.54 H new ATOM 0 HG2 GLU A 133 -0.932 -11.045 -9.558 1.00 0.56 H new ATOM 0 HG3 GLU A 133 -0.115 -11.284 -8.026 1.00 0.56 H new ATOM 1661 N VAL A 134 -2.049 -11.103 -5.584 1.00 0.32 N ATOM 1662 CA VAL A 134 -1.390 -10.306 -4.563 1.00 0.24 C ATOM 1663 C VAL A 134 0.118 -10.491 -4.653 1.00 0.22 C ATOM 1664 O VAL A 134 0.610 -11.608 -4.828 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.882 -10.679 -3.144 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.698 -12.152 -2.894 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -1.181 -9.861 -2.078 1.00 0.21 C ATOM 0 H VAL A 134 -2.361 -12.018 -5.259 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.642 -9.261 -4.741 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.945 -10.446 -3.088 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -2.049 -12.398 -1.892 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -2.270 -12.720 -3.628 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.642 -12.407 -2.981 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.552 -10.150 -1.095 1.00 0.21 H new ATOM 0 HG22 VAL A 134 -0.107 -10.042 -2.128 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.379 -8.802 -2.243 1.00 0.21 H new ATOM 1677 N LYS A 135 0.848 -9.396 -4.570 1.00 0.19 N ATOM 1678 CA LYS A 135 2.299 -9.455 -4.593 1.00 0.21 C ATOM 1679 C LYS A 135 2.883 -8.479 -3.576 1.00 0.17 C ATOM 1680 O LYS A 135 4.099 -8.323 -3.472 1.00 0.18 O ATOM 1681 CB LYS A 135 2.837 -9.186 -6.007 1.00 0.29 C ATOM 1682 CG LYS A 135 2.327 -7.899 -6.635 1.00 0.34 C ATOM 1683 CD LYS A 135 1.052 -8.128 -7.436 1.00 0.29 C ATOM 1684 CE LYS A 135 1.341 -8.425 -8.907 1.00 0.52 C ATOM 1685 NZ LYS A 135 2.203 -9.626 -9.107 1.00 1.03 N ATOM 0 H LYS A 135 0.462 -8.455 -4.486 1.00 0.19 H new ATOM 0 HA LYS A 135 2.612 -10.461 -4.313 1.00 0.21 H new ATOM 0 HB2 LYS A 135 3.926 -9.151 -5.969 1.00 0.29 H new ATOM 0 HB3 LYS A 135 2.567 -10.023 -6.651 1.00 0.29 H new ATOM 0 HG2 LYS A 135 2.138 -7.163 -5.854 1.00 0.34 H new ATOM 0 HG3 LYS A 135 3.096 -7.483 -7.286 1.00 0.34 H new ATOM 0 HD2 LYS A 135 0.496 -8.959 -7.002 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.416 -7.246 -7.363 1.00 0.29 H new ATOM 0 HE2 LYS A 135 0.398 -8.571 -9.433 1.00 0.52 H new ATOM 0 HE3 LYS A 135 1.826 -7.559 -9.357 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 2.348 -9.784 -10.125 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 3.123 -9.474 -8.646 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 1.740 -10.459 -8.690 1.00 1.03 H new ATOM 1699 N LEU A 136 1.998 -7.851 -2.809 1.00 0.14 N ATOM 1700 CA LEU A 136 2.391 -6.958 -1.734 1.00 0.14 C ATOM 1701 C LEU A 136 1.335 -7.036 -0.627 1.00 0.14 C ATOM 1702 O LEU A 136 0.247 -7.537 -0.864 1.00 0.14 O ATOM 1703 CB LEU A 136 2.490 -5.537 -2.274 1.00 0.14 C ATOM 1704 CG LEU A 136 3.599 -4.665 -1.684 1.00 0.13 C ATOM 1705 CD1 LEU A 136 4.963 -5.326 -1.822 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.601 -3.315 -2.374 1.00 0.14 C ATOM 0 H LEU A 136 0.989 -7.949 -2.918 1.00 0.14 H new ATOM 0 HA LEU A 136 3.361 -7.247 -1.330 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.634 -5.590 -3.353 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.536 -5.039 -2.104 1.00 0.14 H new ATOM 0 HG LEU A 136 3.402 -4.535 -0.620 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.727 -4.678 -1.392 1.00 0.16 H new ATOM 0 HD12 LEU A 136 4.959 -6.281 -1.296 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.181 -5.493 -2.877 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.391 -2.693 -1.954 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.776 -3.452 -3.441 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.637 -2.828 -2.224 1.00 0.14 H new ATOM 1718 N LYS A 137 1.650 -6.591 0.579 1.00 0.17 N ATOM 1719 CA LYS A 137 0.668 -6.568 1.663 1.00 0.20 C ATOM 1720 C LYS A 137 0.896 -5.369 2.564 1.00 0.18 C ATOM 1721 O LYS A 137 1.965 -4.768 2.548 1.00 0.22 O ATOM 1722 CB LYS A 137 0.742 -7.826 2.544 1.00 0.31 C ATOM 1723 CG LYS A 137 1.085 -9.105 1.808 1.00 0.35 C ATOM 1724 CD LYS A 137 0.833 -10.332 2.663 1.00 0.28 C ATOM 1725 CE LYS A 137 1.751 -10.367 3.877 1.00 0.31 C ATOM 1726 NZ LYS A 137 2.331 -11.721 4.090 1.00 0.76 N ATOM 0 H LYS A 137 2.573 -6.241 0.836 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.310 -6.519 1.184 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.487 -7.662 3.323 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.218 -7.958 3.043 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.492 -9.170 0.896 1.00 0.35 H new ATOM 0 HG3 LYS A 137 2.132 -9.081 1.506 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.206 -10.340 2.992 1.00 0.28 H new ATOM 0 HD3 LYS A 137 0.985 -11.230 2.065 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.555 -9.643 3.746 1.00 0.31 H new ATOM 0 HE3 LYS A 137 1.193 -10.067 4.764 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 2.950 -11.706 4.925 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 1.564 -12.407 4.240 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 2.884 -11.997 3.254 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.120 -5.026 3.334 1.00 0.18 N ATOM 1741 CA LEU A 138 0.046 -4.124 4.456 1.00 0.20 C ATOM 1742 C LEU A 138 -0.062 -4.952 5.724 1.00 0.21 C ATOM 1743 O LEU A 138 -1.144 -5.422 6.071 1.00 0.22 O ATOM 1744 CB LEU A 138 -0.996 -2.991 4.464 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.005 -2.043 3.246 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.405 -1.639 2.820 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.762 -2.661 2.086 1.00 0.17 C ATOM 0 H LEU A 138 -1.074 -5.361 3.201 1.00 0.18 H new ATOM 0 HA LEU A 138 1.018 -3.637 4.381 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -1.985 -3.440 4.552 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -0.838 -2.391 5.360 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.522 -1.133 3.552 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.348 -0.972 1.960 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.901 -1.127 3.644 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.973 -2.530 2.552 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.755 -1.974 1.240 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.285 -3.598 1.798 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -2.792 -2.856 2.386 1.00 0.17 H new ATOM 1759 N ILE A 139 1.076 -5.125 6.394 1.00 0.27 N ATOM 1760 CA ILE A 139 1.228 -6.011 7.544 1.00 0.30 C ATOM 1761 C ILE A 139 1.240 -7.476 7.110 1.00 0.37 C ATOM 1762 O ILE A 139 0.624 -7.854 6.110 1.00 0.42 O ATOM 1763 CB ILE A 139 0.127 -5.859 8.607 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.324 -4.416 8.797 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.650 -6.400 9.912 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -1.694 -4.332 9.412 1.00 0.41 C ATOM 0 H ILE A 139 1.938 -4.640 6.145 1.00 0.27 H new ATOM 0 HA ILE A 139 2.178 -5.715 7.989 1.00 0.30 H new ATOM 0 HB ILE A 139 -0.746 -6.416 8.266 1.00 0.27 H new ATOM 0 HG12 ILE A 139 0.391 -3.893 9.432 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.327 -3.907 7.833 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.117 -6.301 10.680 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.910 -7.452 9.792 1.00 0.35 H new ATOM 0 HG23 ILE A 139 1.536 -5.839 10.210 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -1.976 -3.286 9.530 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.415 -4.832 8.765 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -1.685 -4.817 10.388 1.00 0.41 H new ATOM 1847 N GLU B 554 -14.853 -7.495 2.856 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.358 -8.650 2.115 1.00 0.33 C ATOM 1849 C GLU B 554 -13.257 -9.327 2.930 1.00 0.35 C ATOM 1850 O GLU B 554 -13.152 -9.103 4.138 1.00 0.40 O ATOM 1851 CB GLU B 554 -13.808 -8.185 0.765 1.00 0.32 C ATOM 1852 CG GLU B 554 -14.061 -9.146 -0.385 1.00 0.29 C ATOM 1853 CD GLU B 554 -15.528 -9.298 -0.715 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -16.121 -8.335 -1.238 1.00 0.65 O ATOM 1855 OE2 GLU B 554 -16.087 -10.388 -0.466 1.00 0.63 O ATOM 0 HA GLU B 554 -15.165 -9.361 1.942 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -14.252 -7.220 0.519 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -12.734 -8.027 0.860 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -13.530 -8.794 -1.269 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -13.648 -10.123 -0.133 1.00 0.29 H new ATOM 1862 N THR B 555 -12.448 -10.148 2.273 1.00 0.33 N ATOM 1863 CA THR B 555 -11.251 -10.708 2.876 1.00 0.35 C ATOM 1864 C THR B 555 -10.376 -9.560 3.392 1.00 0.34 C ATOM 1865 O THR B 555 -9.821 -9.613 4.485 1.00 0.45 O ATOM 1866 CB THR B 555 -10.510 -11.579 1.828 1.00 0.36 C ATOM 1867 OG1 THR B 555 -9.347 -12.195 2.377 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.122 -10.757 0.614 1.00 0.30 C ATOM 0 H THR B 555 -12.605 -10.442 1.309 1.00 0.33 H new ATOM 0 HA THR B 555 -11.502 -11.350 3.721 1.00 0.35 H new ATOM 0 HB THR B 555 -11.203 -12.363 1.524 1.00 0.36 H new ATOM 0 HG1 THR B 555 -8.775 -12.519 1.651 1.00 0.45 H new ATOM 0 HG21 THR B 555 -9.604 -11.392 -0.105 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.019 -10.343 0.153 1.00 0.30 H new ATOM 0 HG23 THR B 555 -9.464 -9.944 0.920 1.00 0.30 H new ATOM 1876 N THR B 556 -10.320 -8.499 2.602 1.00 0.26 N ATOM 1877 CA THR B 556 -9.737 -7.239 3.019 1.00 0.23 C ATOM 1878 C THR B 556 -10.631 -6.113 2.542 1.00 0.21 C ATOM 1879 O THR B 556 -11.022 -5.234 3.309 1.00 0.22 O ATOM 1880 CB THR B 556 -8.334 -7.013 2.430 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.437 -8.045 2.837 1.00 0.24 O ATOM 1882 CG2 THR B 556 -7.791 -5.666 2.861 1.00 0.20 C ATOM 0 H THR B 556 -10.681 -8.491 1.648 1.00 0.26 H new ATOM 0 HA THR B 556 -9.648 -7.262 4.105 1.00 0.23 H new ATOM 0 HB THR B 556 -8.420 -7.034 1.344 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.002 -7.788 3.677 1.00 0.24 H new ATOM 0 HG21 THR B 556 -6.798 -5.521 2.436 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.455 -4.876 2.509 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.729 -5.630 3.949 1.00 0.20 H new ATOM 1890 N LEU B 557 -10.959 -6.191 1.252 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.763 -5.195 0.567 1.00 0.19 C ATOM 1892 C LEU B 557 -10.959 -3.929 0.343 1.00 0.17 C ATOM 1893 O LEU B 557 -9.740 -3.989 0.276 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.045 -4.889 1.332 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.289 -4.810 0.465 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.041 -3.547 0.797 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -13.931 -4.881 -1.017 1.00 0.20 C ATOM 0 H LEU B 557 -10.666 -6.961 0.651 1.00 0.20 H new ATOM 0 HA LEU B 557 -12.048 -5.605 -0.402 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.194 -5.658 2.090 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -12.923 -3.942 1.858 1.00 0.21 H new ATOM 0 HG LEU B 557 -14.931 -5.666 0.673 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -15.936 -3.483 0.178 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.327 -3.560 1.849 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.404 -2.683 0.605 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.841 -4.822 -1.614 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.275 -4.049 -1.273 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.422 -5.822 -1.224 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.669 -2.803 0.254 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.087 -1.489 -0.033 1.00 0.18 C ATOM 1911 C LEU B 558 -11.042 -1.260 -1.532 1.00 0.19 C ATOM 1912 O LEU B 558 -9.994 -1.006 -2.123 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.701 -1.298 0.611 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.690 -1.060 2.129 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.603 -2.029 2.853 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.279 -1.187 2.668 1.00 0.16 C ATOM 0 H LEU B 558 -12.681 -2.777 0.381 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.732 -0.736 0.420 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.098 -2.181 0.397 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.211 -0.453 0.127 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.060 -0.050 2.307 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.569 -1.830 3.924 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.624 -1.905 2.493 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.273 -3.050 2.663 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.284 -1.016 3.745 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -7.899 -2.187 2.461 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.638 -0.449 2.187 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.221 -1.355 -2.127 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.398 -1.138 -3.557 1.00 0.21 C ATOM 1930 C GLU B 559 -13.086 0.188 -3.795 1.00 0.24 C ATOM 1931 O GLU B 559 -13.107 0.717 -4.905 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.202 -2.278 -4.173 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.407 -3.560 -4.300 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.224 -4.712 -4.846 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.132 -5.194 -4.136 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -12.968 -5.142 -5.990 1.00 0.38 O ATOM 0 H GLU B 559 -13.083 -1.585 -1.633 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.419 -1.115 -4.035 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.086 -2.464 -3.562 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.554 -1.976 -5.159 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.551 -3.387 -4.953 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -12.011 -3.834 -3.322 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.645 0.709 -2.727 1.00 0.25 N ATOM 1944 CA ASP B 560 -14.212 2.041 -2.717 1.00 0.31 C ATOM 1945 C ASP B 560 -13.568 2.801 -1.594 1.00 0.25 C ATOM 1946 O ASP B 560 -13.103 2.190 -0.638 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.726 2.040 -2.493 1.00 0.45 C ATOM 1948 CG ASP B 560 -16.513 1.407 -3.619 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -16.634 2.037 -4.689 1.00 0.90 O ATOM 1950 OD2 ASP B 560 -17.057 0.298 -3.420 1.00 0.95 O ATOM 0 H ASP B 560 -13.720 0.219 -1.835 1.00 0.25 H new ATOM 0 HA ASP B 560 -14.027 2.496 -3.690 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -15.946 1.509 -1.567 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -16.064 3.068 -2.360 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.551 4.110 -1.681 1.00 0.26 N ATOM 1956 CA GLU B 561 -12.988 4.910 -0.610 1.00 0.26 C ATOM 1957 C GLU B 561 -13.833 4.718 0.641 1.00 0.26 C ATOM 1958 O GLU B 561 -13.320 4.546 1.744 1.00 0.29 O ATOM 1959 CB GLU B 561 -12.954 6.383 -1.003 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.189 7.243 -0.019 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.423 8.717 -0.243 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -13.487 9.219 0.160 1.00 0.68 O ATOM 1963 OE2 GLU B 561 -11.536 9.383 -0.820 1.00 0.69 O ATOM 0 H GLU B 561 -13.915 4.643 -2.471 1.00 0.26 H new ATOM 0 HA GLU B 561 -11.964 4.590 -0.417 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.501 6.479 -1.990 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -13.975 6.755 -1.084 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -12.486 6.981 0.996 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.124 7.029 -0.105 1.00 0.35 H new ATOM 1970 N LYS B 562 -15.138 4.706 0.423 1.00 0.30 N ATOM 1971 CA LYS B 562 -16.132 4.509 1.471 1.00 0.39 C ATOM 1972 C LYS B 562 -15.804 3.305 2.354 1.00 0.34 C ATOM 1973 O LYS B 562 -15.870 3.384 3.577 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.488 4.290 0.805 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.674 4.293 1.752 1.00 0.74 C ATOM 1976 CD LYS B 562 -19.961 4.030 0.991 1.00 1.73 C ATOM 1977 CE LYS B 562 -21.191 4.239 1.855 1.00 2.39 C ATOM 1978 NZ LYS B 562 -22.437 4.008 1.078 1.00 3.03 N ATOM 0 H LYS B 562 -15.546 4.835 -0.503 1.00 0.30 H new ATOM 0 HA LYS B 562 -16.141 5.391 2.111 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.638 5.067 0.056 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.467 3.337 0.276 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -18.536 3.532 2.520 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -18.736 5.254 2.263 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -20.011 4.691 0.125 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -19.955 3.008 0.612 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -21.160 3.561 2.708 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -21.191 5.253 2.254 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -23.262 4.158 1.693 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -22.476 4.672 0.279 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -22.446 3.032 0.718 1.00 3.03 H new ATOM 1992 N SER B 563 -15.436 2.202 1.725 1.00 0.27 N ATOM 1993 CA SER B 563 -15.138 0.974 2.444 1.00 0.24 C ATOM 1994 C SER B 563 -13.661 0.891 2.801 1.00 0.21 C ATOM 1995 O SER B 563 -13.268 0.140 3.689 1.00 0.20 O ATOM 1996 CB SER B 563 -15.565 -0.228 1.605 1.00 0.27 C ATOM 1997 OG SER B 563 -15.129 -0.092 0.261 1.00 0.91 O ATOM 0 H SER B 563 -15.336 2.131 0.712 1.00 0.27 H new ATOM 0 HA SER B 563 -15.699 0.971 3.379 1.00 0.24 H new ATOM 0 HB2 SER B 563 -15.152 -1.141 2.034 1.00 0.27 H new ATOM 0 HB3 SER B 563 -16.650 -0.327 1.631 1.00 0.27 H new ATOM 0 HG SER B 563 -15.413 -0.875 -0.256 1.00 0.91 H new ATOM 2003 N LEU B 564 -12.858 1.694 2.124 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.422 1.669 2.295 1.00 0.19 C ATOM 2005 C LEU B 564 -11.093 2.381 3.585 1.00 0.21 C ATOM 2006 O LEU B 564 -10.395 1.863 4.451 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.740 2.379 1.130 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.269 2.017 0.888 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.727 2.786 -0.284 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.397 2.300 2.086 1.00 0.18 C ATOM 0 H LEU B 564 -13.186 2.379 1.443 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.068 0.638 2.325 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.301 2.163 0.221 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.806 3.454 1.297 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.246 0.945 0.691 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.682 2.518 -0.443 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.304 2.543 -1.177 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.801 3.855 -0.084 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.367 2.025 1.859 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.445 3.362 2.328 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.749 1.718 2.938 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.648 3.572 3.717 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.396 4.395 4.873 1.00 0.26 C ATOM 2024 C VAL B 565 -12.140 3.858 6.070 1.00 0.28 C ATOM 2025 O VAL B 565 -11.644 3.933 7.180 1.00 0.32 O ATOM 2026 CB VAL B 565 -11.776 5.859 4.604 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.310 6.227 3.224 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.270 6.107 4.743 1.00 0.30 C ATOM 0 H VAL B 565 -12.278 3.987 3.031 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.328 4.365 5.087 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.289 6.484 5.352 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.572 7.264 3.016 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.229 6.106 3.161 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -11.791 5.578 2.492 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.485 7.157 4.543 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -13.810 5.484 4.030 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -13.587 5.859 5.756 1.00 0.30 H new ATOM 2038 N SER B 566 -13.312 3.281 5.823 1.00 0.28 N ATOM 2039 CA SER B 566 -14.081 2.601 6.860 1.00 0.30 C ATOM 2040 C SER B 566 -13.243 1.492 7.471 1.00 0.30 C ATOM 2041 O SER B 566 -13.393 1.128 8.636 1.00 0.35 O ATOM 2042 CB SER B 566 -15.357 2.024 6.245 1.00 0.31 C ATOM 2043 OG SER B 566 -16.158 1.360 7.209 1.00 0.75 O ATOM 0 H SER B 566 -13.754 3.271 4.904 1.00 0.28 H new ATOM 0 HA SER B 566 -14.351 3.309 7.644 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.933 2.827 5.786 1.00 0.31 H new ATOM 0 HB3 SER B 566 -15.093 1.326 5.450 1.00 0.31 H new ATOM 0 HG SER B 566 -16.964 1.007 6.777 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.333 0.994 6.665 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.455 -0.084 7.049 1.00 0.25 C ATOM 2051 C TYR B 567 -10.178 0.466 7.660 1.00 0.26 C ATOM 2052 O TYR B 567 -9.526 -0.203 8.439 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.139 -0.907 5.818 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.276 -2.113 6.070 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -10.839 -3.333 6.421 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -8.899 -2.018 5.985 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.038 -4.427 6.682 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.094 -3.105 6.239 1.00 0.25 C ATOM 2059 CZ TYR B 567 -8.711 -4.361 6.477 1.00 0.24 C ATOM 2060 OH TYR B 567 -7.863 -5.387 6.847 1.00 0.29 O ATOM 0 H TYR B 567 -12.181 1.331 5.714 1.00 0.26 H new ATOM 0 HA TYR B 567 -11.942 -0.709 7.797 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.076 -1.236 5.368 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -10.642 -0.268 5.089 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -11.913 -3.427 6.490 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.448 -1.075 5.715 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -10.480 -5.340 7.053 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.019 -3.005 6.257 1.00 0.25 H new ATOM 0 HH TYR B 567 -7.984 -5.584 7.799 1.00 0.29 H new ATOM 2070 N LEU B 568 -9.810 1.669 7.246 1.00 0.26 N ATOM 2071 CA LEU B 568 -8.601 2.330 7.722 1.00 0.29 C ATOM 2072 C LEU B 568 -8.805 3.090 9.028 1.00 0.35 C ATOM 2073 O LEU B 568 -7.965 3.031 9.923 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.138 3.301 6.664 1.00 0.28 C ATOM 2075 CG LEU B 568 -7.028 2.814 5.759 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.228 1.361 5.358 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -7.007 3.695 4.545 1.00 0.26 C ATOM 0 H LEU B 568 -10.341 2.217 6.569 1.00 0.26 H new ATOM 0 HA LEU B 568 -7.861 1.553 7.915 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -8.994 3.569 6.045 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -7.804 4.214 7.157 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.077 2.866 6.289 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.411 1.047 4.708 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.242 0.736 6.251 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.174 1.257 4.827 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.215 3.368 3.872 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -7.967 3.632 4.033 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -6.824 4.726 4.847 1.00 0.26 H new ATOM 2089 N ASN B 569 -9.912 3.818 9.135 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.129 4.695 10.293 1.00 0.46 C ATOM 2091 C ASN B 569 -10.644 3.912 11.499 1.00 0.50 C ATOM 2092 O ASN B 569 -11.045 4.497 12.508 1.00 0.74 O ATOM 2093 CB ASN B 569 -11.100 5.842 9.968 1.00 0.52 C ATOM 2094 CG ASN B 569 -12.564 5.420 9.974 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -12.885 4.292 9.359 1.00 0.68 O flip ATOM 2096 ND2 ASN B 569 -13.414 6.142 10.488 1.00 0.44 N flip ATOM 0 H ASN B 569 -10.666 3.823 8.448 1.00 0.38 H new ATOM 0 HA ASN B 569 -9.159 5.125 10.541 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -10.958 6.644 10.693 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -10.852 6.251 8.988 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -13.135 7.005 10.955 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -14.399 5.879 10.448 1.00 0.44 H new ATOM 2103 N TYR B 570 -10.633 2.593 11.376 1.00 0.50 N ATOM 2104 CA TYR B 570 -11.050 1.700 12.449 1.00 0.59 C ATOM 2105 C TYR B 570 -10.206 1.932 13.706 1.00 0.90 C ATOM 2106 O TYR B 570 -8.962 2.021 13.594 1.00 1.34 O ATOM 2107 CB TYR B 570 -10.944 0.235 11.997 1.00 0.39 C ATOM 2108 CG TYR B 570 -9.522 -0.274 11.899 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -8.657 0.216 10.934 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.040 -1.228 12.783 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.359 -0.228 10.848 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -7.737 -1.675 12.710 1.00 0.87 C ATOM 2113 CZ TYR B 570 -6.898 -1.173 11.739 1.00 0.79 C ATOM 2114 OH TYR B 570 -5.595 -1.606 11.663 1.00 1.04 O ATOM 2115 OXT TYR B 570 -10.795 2.020 14.802 1.00 1.66 O ATOM 0 H TYR B 570 -10.334 2.110 10.529 1.00 0.50 H new ATOM 0 HA TYR B 570 -12.091 1.917 12.690 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.497 -0.392 12.697 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.426 0.129 11.025 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.009 0.961 10.236 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -9.696 -1.628 13.542 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -6.702 0.162 10.085 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.376 -2.414 13.410 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.256 -1.464 10.755 1.00 1.04 H new