USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=34 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 45 TYR OH : rot 104:sc= 0.917 USER MOD Set 1.2: A 135 LYS NZ :NH3+ -121:sc= 0.528 (180deg=-0.317) USER MOD Set 2.1: A 97 MET CE :methyl 166:sc= -1.15 (180deg=-0.672) USER MOD Set 2.2: A 100 GLN : amide:sc= -5.92! K(o=-7.1!,f=-4.5) USER MOD Set 3.1: A 73 LYS NZ :NH3+ 124:sc= 1.21 (180deg=0) USER MOD Set 3.2: A 88 ASN : amide:sc= 1.06 K(o=2.3,f=-5.1) USER MOD Set 4.1: A 50 ASN : amide:sc= 0.823 K(o=1.6,f=-2.4) USER MOD Set 4.2: A 68 LYS NZ :NH3+ -153:sc= 0.8 (180deg=-0.265) USER MOD Set 5.1: A 57 ASN : amide:sc= 0.242 K(o=-0.52,f=-7.5!) USER MOD Set 5.2: A 62 SER OG : rot 76:sc= -0.435 USER MOD Set 5.3: A 64 ASN : amide:sc= -0.332 X(o=-0.52,f=-0.45) USER MOD Set 6.1: A 55 SER OG : rot -141:sc= 0.813 USER MOD Set 6.2: A 66 TYR OH : rot 130:sc= 0.267 USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= 1.28 (180deg=1.2) USER MOD Single : A 37 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.6!) USER MOD Single : A 42 SER OG : rot 143:sc= 1.24 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0.00601 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.071 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 1.14 (180deg=1.05) USER MOD Single : A 67 SER OG : rot -172:sc= -2.63! USER MOD Single : A 71 SER OG : rot -13:sc= 0.94 USER MOD Single : A 76 TYR OH : rot 60:sc= -2.01 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 82 LYS NZ :NH3+ 170:sc=-0.00105 (180deg=-0.104) USER MOD Single : A 84 MET CE :methyl 163:sc= -0.883 (180deg=-1.94!) USER MOD Single : A 86 ASN : amide:sc= -0.0145 X(o=-0.014,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00906) USER MOD Single : A 106 LYS NZ :NH3+ 143:sc= 1.68 (180deg=0.974) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl 180:sc= -6.63! (180deg=-6.63!) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -177:sc= 0.549 (180deg=0.506) USER MOD Single : A 125 THR OG1 : rot 24:sc= 0.104 USER MOD Single : A 130 LYS NZ :NH3+ -162:sc= 1.22 (180deg=0.645) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= -0.466 (180deg=-0.466) USER MOD Single : B 555 THR OG1 : rot 180:sc= 0 USER MOD Single : B 556 THR OG1 : rot -89:sc= 1.14 USER MOD Single : B 562 LYS NZ :NH3+ -170:sc= -0.0024 (180deg=-0.0992) USER MOD Single : B 563 SER OG : rot 137:sc= 1.01 USER MOD Single : B 566 SER OG : rot 73:sc= 0.808 USER MOD Single : B 567 TYR OH : rot -69:sc= -0.134 USER MOD Single : B 569 ASN : amide:sc= -1.34 K(o=-1.3,f=-0.71) USER MOD Single : B 570 TYR OH : rot 180:sc= -0.0977 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -2.481 5.698 10.797 1.00 0.62 N ATOM 77 CA LYS A 34 -2.391 4.285 10.609 1.00 0.54 C ATOM 78 C LYS A 34 -1.061 3.891 9.964 1.00 0.43 C ATOM 79 O LYS A 34 -0.867 4.083 8.764 1.00 0.53 O ATOM 80 CB LYS A 34 -3.548 3.916 9.702 1.00 0.66 C ATOM 81 CG LYS A 34 -4.594 3.073 10.391 1.00 0.83 C ATOM 82 CD LYS A 34 -5.327 3.811 11.494 1.00 0.84 C ATOM 83 CE LYS A 34 -6.280 2.869 12.203 1.00 0.90 C ATOM 84 NZ LYS A 34 -7.005 3.523 13.321 1.00 1.23 N ATOM 0 HA LYS A 34 -2.437 3.760 11.563 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -4.013 4.828 9.327 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -3.165 3.375 8.837 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -5.317 2.727 9.652 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -4.118 2.187 10.810 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -4.611 4.222 12.206 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -5.879 4.653 11.075 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -7.002 2.481 11.485 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -5.722 2.015 12.587 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -7.831 2.948 13.582 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -6.371 3.611 14.141 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -7.321 4.468 13.024 1.00 1.23 H new ATOM 98 N GLU A 35 -0.151 3.340 10.759 1.00 0.43 N ATOM 99 CA GLU A 35 1.141 2.914 10.240 1.00 0.48 C ATOM 100 C GLU A 35 1.057 1.508 9.668 1.00 0.40 C ATOM 101 O GLU A 35 1.097 0.521 10.408 1.00 0.55 O ATOM 102 CB GLU A 35 2.219 2.939 11.325 1.00 0.75 C ATOM 103 CG GLU A 35 2.545 4.317 11.870 1.00 1.06 C ATOM 104 CD GLU A 35 3.692 4.270 12.857 1.00 1.35 C ATOM 105 OE1 GLU A 35 3.651 3.447 13.796 1.00 1.86 O ATOM 106 OE2 GLU A 35 4.639 5.069 12.709 1.00 1.83 O ATOM 0 H GLU A 35 -0.283 3.179 11.758 1.00 0.43 H new ATOM 0 HA GLU A 35 1.413 3.617 9.453 1.00 0.48 H new ATOM 0 HB2 GLU A 35 1.897 2.304 12.151 1.00 0.75 H new ATOM 0 HB3 GLU A 35 3.131 2.499 10.921 1.00 0.75 H new ATOM 0 HG2 GLU A 35 2.800 4.983 11.046 1.00 1.06 H new ATOM 0 HG3 GLU A 35 1.663 4.734 12.356 1.00 1.06 H new ATOM 113 N TRP A 36 0.930 1.415 8.359 1.00 0.28 N ATOM 114 CA TRP A 36 0.972 0.123 7.692 1.00 0.25 C ATOM 115 C TRP A 36 2.410 -0.208 7.302 1.00 0.26 C ATOM 116 O TRP A 36 3.159 0.666 6.870 1.00 0.40 O ATOM 117 CB TRP A 36 0.100 0.107 6.432 1.00 0.26 C ATOM 118 CG TRP A 36 -1.334 0.506 6.638 1.00 0.19 C ATOM 119 CD1 TRP A 36 -2.048 1.362 5.854 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.232 0.077 7.675 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.333 1.474 6.321 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.470 0.705 7.436 1.00 0.27 C ATOM 123 CE3 TRP A 36 -2.116 -0.774 8.774 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.579 0.507 8.246 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -3.219 -0.969 9.584 1.00 1.51 C ATOM 126 CH2 TRP A 36 -4.437 -0.330 9.315 1.00 1.19 C ATOM 0 H TRP A 36 0.797 2.212 7.737 1.00 0.28 H new ATOM 0 HA TRP A 36 0.585 -0.621 8.389 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.544 0.776 5.695 1.00 0.26 H new ATOM 0 HB3 TRP A 36 0.123 -0.896 6.007 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.658 1.878 4.989 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -4.068 2.042 5.900 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -1.182 -1.271 8.988 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.519 0.997 8.039 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -3.141 -1.625 10.439 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -5.281 -0.503 9.967 1.00 1.19 H new ATOM 137 N HIS A 37 2.801 -1.460 7.471 1.00 0.25 N ATOM 138 CA HIS A 37 4.118 -1.909 7.033 1.00 0.25 C ATOM 139 C HIS A 37 3.963 -2.770 5.790 1.00 0.24 C ATOM 140 O HIS A 37 3.282 -3.790 5.824 1.00 0.30 O ATOM 141 CB HIS A 37 4.828 -2.704 8.137 1.00 0.29 C ATOM 142 CG HIS A 37 5.126 -1.914 9.373 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.387 -1.463 9.700 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.314 -1.510 10.381 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.339 -0.817 10.850 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.091 -0.832 11.284 1.00 0.56 N ATOM 0 H HIS A 37 2.230 -2.184 7.907 1.00 0.25 H new ATOM 0 HA HIS A 37 4.728 -1.035 6.806 1.00 0.25 H new ATOM 0 HB2 HIS A 37 4.209 -3.559 8.408 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.762 -3.100 7.739 1.00 0.29 H new ATOM 0 HD1 HIS A 37 7.227 -1.606 9.140 1.00 0.61 H new ATOM 0 HD2 HIS A 37 3.252 -1.689 10.458 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.177 -0.355 11.351 1.00 0.51 H new ATOM 155 N ILE A 38 4.571 -2.351 4.692 1.00 0.20 N ATOM 156 CA ILE A 38 4.392 -3.044 3.425 1.00 0.20 C ATOM 157 C ILE A 38 5.159 -4.365 3.395 1.00 0.21 C ATOM 158 O ILE A 38 6.317 -4.442 3.805 1.00 0.27 O ATOM 159 CB ILE A 38 4.813 -2.165 2.232 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.091 -0.826 2.293 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.478 -2.853 0.929 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.624 0.198 1.316 1.00 0.20 C ATOM 0 H ILE A 38 5.189 -1.540 4.651 1.00 0.20 H new ATOM 0 HA ILE A 38 3.327 -3.260 3.334 1.00 0.20 H new ATOM 0 HB ILE A 38 5.889 -2.002 2.285 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.031 -0.986 2.096 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.171 -0.426 3.304 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.781 -2.220 0.095 1.00 0.21 H new ATOM 0 HG22 ILE A 38 5.007 -3.804 0.873 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.404 -3.031 0.877 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.061 1.126 1.418 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.677 0.388 1.526 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.519 -0.180 0.299 1.00 0.20 H new ATOM 174 N VAL A 39 4.478 -5.396 2.922 1.00 0.19 N ATOM 175 CA VAL A 39 5.031 -6.739 2.826 1.00 0.18 C ATOM 176 C VAL A 39 5.102 -7.180 1.373 1.00 0.16 C ATOM 177 O VAL A 39 4.167 -6.955 0.623 1.00 0.18 O ATOM 178 CB VAL A 39 4.140 -7.745 3.577 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.670 -9.161 3.453 1.00 0.23 C ATOM 180 CG2 VAL A 39 3.971 -7.350 5.023 1.00 0.26 C ATOM 0 H VAL A 39 3.516 -5.324 2.590 1.00 0.19 H new ATOM 0 HA VAL A 39 6.028 -6.716 3.266 1.00 0.18 H new ATOM 0 HB VAL A 39 3.156 -7.723 3.108 1.00 0.20 H new ATOM 0 HG11 VAL A 39 4.016 -9.843 3.996 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.701 -9.447 2.402 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.675 -9.211 3.873 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.337 -8.079 5.528 1.00 0.26 H new ATOM 0 HG22 VAL A 39 4.947 -7.320 5.508 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.507 -6.365 5.079 1.00 0.26 H new ATOM 190 N PRO A 40 6.202 -7.802 0.949 1.00 0.14 N ATOM 191 CA PRO A 40 6.289 -8.415 -0.366 1.00 0.14 C ATOM 192 C PRO A 40 5.717 -9.832 -0.373 1.00 0.16 C ATOM 193 O PRO A 40 5.983 -10.629 0.531 1.00 0.28 O ATOM 194 CB PRO A 40 7.794 -8.445 -0.654 1.00 0.17 C ATOM 195 CG PRO A 40 8.474 -7.895 0.565 1.00 0.15 C ATOM 196 CD PRO A 40 7.464 -7.926 1.676 1.00 0.14 C ATOM 0 HA PRO A 40 5.715 -7.865 -1.112 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.129 -9.462 -0.859 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.032 -7.847 -1.534 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.349 -8.492 0.822 1.00 0.15 H new ATOM 0 HG3 PRO A 40 8.822 -6.878 0.387 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.515 -8.853 2.247 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.610 -7.108 2.382 1.00 0.14 H new ATOM 204 N VAL A 41 4.909 -10.137 -1.377 1.00 0.14 N ATOM 205 CA VAL A 41 4.344 -11.472 -1.523 1.00 0.16 C ATOM 206 C VAL A 41 5.032 -12.218 -2.659 1.00 0.18 C ATOM 207 O VAL A 41 5.510 -13.336 -2.488 1.00 0.23 O ATOM 208 CB VAL A 41 2.830 -11.438 -1.829 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.263 -12.848 -1.889 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.064 -10.602 -0.816 1.00 0.20 C ATOM 0 H VAL A 41 4.629 -9.478 -2.104 1.00 0.14 H new ATOM 0 HA VAL A 41 4.503 -11.978 -0.571 1.00 0.16 H new ATOM 0 HB VAL A 41 2.708 -10.966 -2.804 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.196 -12.802 -2.106 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.769 -13.410 -2.674 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.418 -13.343 -0.931 1.00 0.21 H new ATOM 0 HG21 VAL A 41 1.004 -10.605 -1.069 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.201 -11.022 0.180 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.438 -9.578 -0.832 1.00 0.20 H new ATOM 220 N SER A 42 5.079 -11.581 -3.821 1.00 0.19 N ATOM 221 CA SER A 42 5.605 -12.219 -5.011 1.00 0.25 C ATOM 222 C SER A 42 7.128 -12.155 -5.031 1.00 0.24 C ATOM 223 O SER A 42 7.737 -11.363 -4.309 1.00 0.35 O ATOM 224 CB SER A 42 5.013 -11.567 -6.265 1.00 0.34 C ATOM 225 OG SER A 42 5.284 -12.329 -7.427 1.00 1.08 O ATOM 0 H SER A 42 4.758 -10.623 -3.961 1.00 0.19 H new ATOM 0 HA SER A 42 5.316 -13.270 -4.999 1.00 0.25 H new ATOM 0 HB2 SER A 42 3.935 -11.458 -6.144 1.00 0.34 H new ATOM 0 HB3 SER A 42 5.424 -10.564 -6.383 1.00 0.34 H new ATOM 0 HG SER A 42 4.511 -12.294 -8.029 1.00 1.08 H new ATOM 231 N LYS A 43 7.731 -12.967 -5.879 1.00 0.28 N ATOM 232 CA LYS A 43 9.176 -13.129 -5.903 1.00 0.31 C ATOM 233 C LYS A 43 9.862 -11.866 -6.379 1.00 0.26 C ATOM 234 O LYS A 43 10.869 -11.433 -5.813 1.00 0.32 O ATOM 235 CB LYS A 43 9.548 -14.301 -6.805 1.00 0.42 C ATOM 236 CG LYS A 43 8.774 -15.555 -6.468 1.00 1.02 C ATOM 237 CD LYS A 43 7.689 -15.852 -7.491 1.00 1.41 C ATOM 238 CE LYS A 43 6.780 -16.976 -7.020 1.00 2.09 C ATOM 239 NZ LYS A 43 5.793 -17.367 -8.061 1.00 2.95 N ATOM 0 H LYS A 43 7.236 -13.532 -6.569 1.00 0.28 H new ATOM 0 HA LYS A 43 9.515 -13.331 -4.887 1.00 0.31 H new ATOM 0 HB2 LYS A 43 9.361 -14.030 -7.844 1.00 0.42 H new ATOM 0 HB3 LYS A 43 10.616 -14.501 -6.715 1.00 0.42 H new ATOM 0 HG2 LYS A 43 9.460 -16.400 -6.413 1.00 1.02 H new ATOM 0 HG3 LYS A 43 8.322 -15.447 -5.482 1.00 1.02 H new ATOM 0 HD2 LYS A 43 7.098 -14.954 -7.669 1.00 1.41 H new ATOM 0 HD3 LYS A 43 8.147 -16.126 -8.441 1.00 1.41 H new ATOM 0 HE2 LYS A 43 7.384 -17.842 -6.750 1.00 2.09 H new ATOM 0 HE3 LYS A 43 6.252 -16.662 -6.119 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 5.193 -18.136 -7.699 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 5.199 -16.548 -8.301 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 6.296 -17.691 -8.912 1.00 2.95 H new ATOM 253 N ASP A 44 9.288 -11.267 -7.406 1.00 0.23 N ATOM 254 CA ASP A 44 9.843 -10.058 -8.012 1.00 0.21 C ATOM 255 C ASP A 44 9.902 -8.903 -7.006 1.00 0.17 C ATOM 256 O ASP A 44 10.615 -7.923 -7.218 1.00 0.18 O ATOM 257 CB ASP A 44 9.012 -9.639 -9.228 1.00 0.25 C ATOM 258 CG ASP A 44 9.849 -9.006 -10.318 1.00 0.39 C ATOM 259 OD1 ASP A 44 11.064 -9.287 -10.387 1.00 0.44 O ATOM 260 OD2 ASP A 44 9.300 -8.213 -11.107 1.00 0.97 O ATOM 0 H ASP A 44 8.429 -11.598 -7.846 1.00 0.23 H new ATOM 0 HA ASP A 44 10.860 -10.288 -8.330 1.00 0.21 H new ATOM 0 HB2 ASP A 44 8.499 -10.512 -9.631 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.242 -8.935 -8.912 1.00 0.25 H new ATOM 265 N TYR A 45 9.144 -9.016 -5.916 1.00 0.15 N ATOM 266 CA TYR A 45 9.101 -7.968 -4.900 1.00 0.13 C ATOM 267 C TYR A 45 9.786 -8.407 -3.616 1.00 0.15 C ATOM 268 O TYR A 45 9.806 -7.669 -2.647 1.00 0.15 O ATOM 269 CB TYR A 45 7.659 -7.559 -4.583 1.00 0.12 C ATOM 270 CG TYR A 45 6.906 -6.995 -5.761 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.470 -7.821 -6.794 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.636 -5.636 -5.843 1.00 0.21 C ATOM 273 CE1 TYR A 45 5.783 -7.294 -7.875 1.00 0.29 C ATOM 274 CE2 TYR A 45 5.952 -5.107 -6.915 1.00 0.25 C ATOM 275 CZ TYR A 45 5.511 -5.978 -7.938 1.00 0.27 C ATOM 276 OH TYR A 45 4.849 -5.397 -8.998 1.00 0.35 O ATOM 0 H TYR A 45 8.552 -9.822 -5.715 1.00 0.15 H new ATOM 0 HA TYR A 45 9.635 -7.112 -5.312 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.121 -8.428 -4.204 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.670 -6.818 -3.784 1.00 0.12 H new ATOM 0 HD1 TYR A 45 6.669 -8.882 -6.752 1.00 0.23 H new ATOM 0 HD2 TYR A 45 6.969 -4.981 -5.051 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.463 -7.945 -8.675 1.00 0.29 H new ATOM 0 HE2 TYR A 45 5.756 -4.047 -6.973 1.00 0.25 H new ATOM 0 HH TYR A 45 3.926 -5.197 -8.737 1.00 0.35 H new ATOM 286 N PHE A 46 10.367 -9.594 -3.599 1.00 0.19 N ATOM 287 CA PHE A 46 11.032 -10.076 -2.387 1.00 0.23 C ATOM 288 C PHE A 46 12.222 -9.196 -2.013 1.00 0.22 C ATOM 289 O PHE A 46 12.751 -9.291 -0.909 1.00 0.26 O ATOM 290 CB PHE A 46 11.476 -11.530 -2.522 1.00 0.28 C ATOM 291 CG PHE A 46 10.401 -12.522 -2.175 1.00 0.36 C ATOM 292 CD1 PHE A 46 9.545 -12.291 -1.108 1.00 0.68 C ATOM 293 CD2 PHE A 46 10.255 -13.691 -2.901 1.00 0.68 C ATOM 294 CE1 PHE A 46 8.562 -13.203 -0.778 1.00 0.74 C ATOM 295 CE2 PHE A 46 9.273 -14.607 -2.577 1.00 0.76 C ATOM 296 CZ PHE A 46 8.427 -14.365 -1.513 1.00 0.57 C ATOM 0 H PHE A 46 10.396 -10.236 -4.391 1.00 0.19 H new ATOM 0 HA PHE A 46 10.296 -10.020 -1.585 1.00 0.23 H new ATOM 0 HB2 PHE A 46 11.805 -11.707 -3.546 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.338 -11.700 -1.876 1.00 0.28 H new ATOM 0 HD1 PHE A 46 9.649 -11.386 -0.528 1.00 0.68 H new ATOM 0 HD2 PHE A 46 10.917 -13.890 -3.731 1.00 0.68 H new ATOM 0 HE1 PHE A 46 7.900 -13.008 0.053 1.00 0.74 H new ATOM 0 HE2 PHE A 46 9.167 -15.512 -3.156 1.00 0.76 H new ATOM 0 HZ PHE A 46 7.662 -15.082 -1.256 1.00 0.57 H new ATOM 306 N SER A 47 12.629 -8.330 -2.929 1.00 0.19 N ATOM 307 CA SER A 47 13.770 -7.481 -2.712 1.00 0.23 C ATOM 308 C SER A 47 13.375 -6.136 -2.097 1.00 0.17 C ATOM 309 O SER A 47 14.215 -5.262 -1.964 1.00 0.20 O ATOM 310 CB SER A 47 14.475 -7.263 -4.044 1.00 0.31 C ATOM 311 OG SER A 47 13.535 -6.969 -5.065 1.00 1.19 O ATOM 0 H SER A 47 12.176 -8.203 -3.834 1.00 0.19 H new ATOM 0 HA SER A 47 14.438 -7.971 -2.004 1.00 0.23 H new ATOM 0 HB2 SER A 47 15.189 -6.445 -3.954 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.043 -8.154 -4.311 1.00 0.31 H new ATOM 0 HG SER A 47 14.006 -6.830 -5.913 1.00 1.19 H new ATOM 317 N ILE A 48 12.103 -5.964 -1.734 1.00 0.17 N ATOM 318 CA ILE A 48 11.641 -4.698 -1.157 1.00 0.15 C ATOM 319 C ILE A 48 12.387 -4.399 0.158 1.00 0.17 C ATOM 320 O ILE A 48 12.650 -5.303 0.953 1.00 0.20 O ATOM 321 CB ILE A 48 10.095 -4.696 -0.950 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.386 -4.918 -2.292 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.611 -3.401 -0.321 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.241 -3.964 -2.575 1.00 0.21 C ATOM 0 H ILE A 48 11.380 -6.677 -1.827 1.00 0.17 H new ATOM 0 HA ILE A 48 11.870 -3.901 -1.864 1.00 0.15 H new ATOM 0 HB ILE A 48 9.853 -5.510 -0.267 1.00 0.17 H new ATOM 0 HG12 ILE A 48 10.120 -4.829 -3.093 1.00 0.18 H new ATOM 0 HG13 ILE A 48 9.005 -5.939 -2.320 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.529 -3.440 -0.194 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.086 -3.269 0.651 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.870 -2.563 -0.968 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.803 -4.199 -3.545 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.482 -4.066 -1.799 1.00 0.21 H new ATOM 0 HD13 ILE A 48 8.614 -2.940 -2.584 1.00 0.21 H new ATOM 336 N PRO A 49 12.770 -3.115 0.354 1.00 0.16 N ATOM 337 CA PRO A 49 13.684 -2.648 1.419 1.00 0.19 C ATOM 338 C PRO A 49 13.390 -3.062 2.857 1.00 0.15 C ATOM 339 O PRO A 49 12.449 -3.799 3.153 1.00 0.21 O ATOM 340 CB PRO A 49 13.575 -1.122 1.351 1.00 0.26 C ATOM 341 CG PRO A 49 12.423 -0.851 0.472 1.00 0.17 C ATOM 342 CD PRO A 49 12.373 -1.987 -0.492 1.00 0.16 C ATOM 0 HA PRO A 49 14.656 -3.099 1.222 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.422 -0.694 2.342 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.487 -0.680 0.950 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.499 -0.785 1.047 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.543 0.099 -0.049 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.377 -2.122 -0.913 1.00 0.16 H new ATOM 0 HD3 PRO A 49 13.056 -1.843 -1.329 1.00 0.16 H new ATOM 350 N ASN A 50 14.237 -2.527 3.739 1.00 0.17 N ATOM 351 CA ASN A 50 14.151 -2.711 5.184 1.00 0.22 C ATOM 352 C ASN A 50 12.716 -2.656 5.698 1.00 0.22 C ATOM 353 O ASN A 50 12.235 -3.607 6.315 1.00 0.34 O ATOM 354 CB ASN A 50 14.987 -1.620 5.872 1.00 0.35 C ATOM 355 CG ASN A 50 14.881 -1.658 7.386 1.00 0.58 C ATOM 356 OD1 ASN A 50 14.046 -0.972 7.980 1.00 1.23 O ATOM 357 ND2 ASN A 50 15.731 -2.453 8.015 1.00 0.83 N ATOM 0 H ASN A 50 15.021 -1.939 3.457 1.00 0.17 H new ATOM 0 HA ASN A 50 14.536 -3.704 5.418 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.032 -1.735 5.583 1.00 0.35 H new ATOM 0 HB3 ASN A 50 14.663 -0.642 5.515 1.00 0.35 H new ATOM 0 HD21 ASN A 50 15.712 -2.516 9.033 1.00 0.83 H new ATOM 0 HD22 ASN A 50 16.405 -3.003 7.482 1.00 0.83 H new ATOM 364 N ASP A 51 12.027 -1.561 5.406 1.00 0.24 N ATOM 365 CA ASP A 51 10.708 -1.312 5.974 1.00 0.34 C ATOM 366 C ASP A 51 10.152 -0.012 5.432 1.00 0.27 C ATOM 367 O ASP A 51 10.706 1.062 5.673 1.00 0.36 O ATOM 368 CB ASP A 51 10.762 -1.241 7.506 1.00 0.51 C ATOM 369 CG ASP A 51 9.391 -1.046 8.135 1.00 1.20 C ATOM 370 OD1 ASP A 51 8.966 0.112 8.299 1.00 1.23 O ATOM 371 OD2 ASP A 51 8.741 -2.056 8.489 1.00 1.90 O ATOM 0 H ASP A 51 12.360 -0.830 4.778 1.00 0.24 H new ATOM 0 HA ASP A 51 10.060 -2.142 5.691 1.00 0.34 H new ATOM 0 HB2 ASP A 51 11.207 -2.158 7.892 1.00 0.51 H new ATOM 0 HB3 ASP A 51 11.414 -0.420 7.805 1.00 0.51 H new ATOM 376 N LEU A 52 9.092 -0.122 4.663 1.00 0.22 N ATOM 377 CA LEU A 52 8.400 1.041 4.140 1.00 0.17 C ATOM 378 C LEU A 52 7.104 1.258 4.891 1.00 0.19 C ATOM 379 O LEU A 52 6.291 0.338 5.029 1.00 0.25 O ATOM 380 CB LEU A 52 8.110 0.865 2.655 1.00 0.18 C ATOM 381 CG LEU A 52 9.337 0.589 1.799 1.00 0.14 C ATOM 382 CD1 LEU A 52 8.922 0.156 0.405 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.240 1.815 1.730 1.00 0.15 C ATOM 0 H LEU A 52 8.685 -1.014 4.382 1.00 0.22 H new ATOM 0 HA LEU A 52 9.041 1.912 4.273 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.404 0.044 2.531 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.620 1.765 2.285 1.00 0.18 H new ATOM 0 HG LEU A 52 9.901 -0.221 2.263 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.811 -0.038 -0.195 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.323 -0.752 0.469 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.334 0.946 -0.062 1.00 0.17 H new ATOM 0 HD21 LEU A 52 11.110 1.592 1.112 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.689 2.648 1.294 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.567 2.083 2.735 1.00 0.15 H new ATOM 395 N LEU A 53 6.913 2.468 5.371 1.00 0.16 N ATOM 396 CA LEU A 53 5.698 2.812 6.088 1.00 0.18 C ATOM 397 C LEU A 53 4.665 3.369 5.129 1.00 0.17 C ATOM 398 O LEU A 53 4.863 4.414 4.507 1.00 0.17 O ATOM 399 CB LEU A 53 5.980 3.830 7.197 1.00 0.21 C ATOM 400 CG LEU A 53 6.872 3.333 8.331 1.00 0.26 C ATOM 401 CD1 LEU A 53 7.163 4.461 9.307 1.00 0.32 C ATOM 402 CD2 LEU A 53 6.215 2.164 9.049 1.00 0.30 C ATOM 0 H LEU A 53 7.582 3.232 5.279 1.00 0.16 H new ATOM 0 HA LEU A 53 5.310 1.903 6.548 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.445 4.709 6.750 1.00 0.21 H new ATOM 0 HB3 LEU A 53 5.029 4.153 7.621 1.00 0.21 H new ATOM 0 HG LEU A 53 7.816 2.991 7.906 1.00 0.26 H new ATOM 0 HD11 LEU A 53 7.800 4.092 10.110 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.671 5.272 8.785 1.00 0.32 H new ATOM 0 HD13 LEU A 53 6.227 4.830 9.727 1.00 0.32 H new ATOM 0 HD21 LEU A 53 6.864 1.821 9.855 1.00 0.30 H new ATOM 0 HD22 LEU A 53 5.259 2.483 9.464 1.00 0.30 H new ATOM 0 HD23 LEU A 53 6.051 1.349 8.344 1.00 0.30 H new ATOM 414 N TRP A 54 3.567 2.659 5.018 1.00 0.18 N ATOM 415 CA TRP A 54 2.464 3.072 4.182 1.00 0.20 C ATOM 416 C TRP A 54 1.360 3.639 5.057 1.00 0.23 C ATOM 417 O TRP A 54 0.998 3.048 6.072 1.00 0.28 O ATOM 418 CB TRP A 54 1.948 1.870 3.382 1.00 0.22 C ATOM 419 CG TRP A 54 0.811 2.182 2.450 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.448 2.578 2.796 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.819 2.092 1.019 1.00 0.24 C ATOM 422 NE1 TRP A 54 -1.210 2.764 1.675 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.461 2.468 0.574 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.782 1.743 0.071 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.803 2.496 -0.769 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.437 1.771 -1.266 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.152 2.149 -1.673 1.00 0.35 C ATOM 0 H TRP A 54 3.413 1.777 5.506 1.00 0.18 H new ATOM 0 HA TRP A 54 2.795 3.840 3.483 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.772 1.455 2.802 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.627 1.096 4.080 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.793 2.724 3.809 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -2.182 3.074 1.664 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.777 1.457 0.377 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.794 2.784 -1.087 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 2.171 1.497 -2.010 1.00 0.41 H new ATOM 0 HH2 TRP A 54 -0.086 2.165 -2.726 1.00 0.35 H new ATOM 438 N SER A 55 0.837 4.784 4.676 1.00 0.26 N ATOM 439 CA SER A 55 -0.288 5.357 5.374 1.00 0.33 C ATOM 440 C SER A 55 -1.191 6.069 4.387 1.00 0.25 C ATOM 441 O SER A 55 -0.779 7.028 3.732 1.00 0.22 O ATOM 442 CB SER A 55 0.192 6.314 6.469 1.00 0.44 C ATOM 443 OG SER A 55 1.152 7.229 5.968 1.00 1.11 O ATOM 0 H SER A 55 1.174 5.335 3.887 1.00 0.26 H new ATOM 0 HA SER A 55 -0.856 4.560 5.854 1.00 0.33 H new ATOM 0 HB2 SER A 55 -0.659 6.862 6.875 1.00 0.44 H new ATOM 0 HB3 SER A 55 0.625 5.743 7.290 1.00 0.44 H new ATOM 0 HG SER A 55 1.849 7.373 6.642 1.00 1.11 H new ATOM 449 N PHE A 56 -2.405 5.568 4.233 1.00 0.30 N ATOM 450 CA PHE A 56 -3.376 6.255 3.412 1.00 0.28 C ATOM 451 C PHE A 56 -3.791 7.510 4.146 1.00 0.27 C ATOM 452 O PHE A 56 -4.273 7.428 5.276 1.00 0.39 O ATOM 453 CB PHE A 56 -4.635 5.411 3.179 1.00 0.40 C ATOM 454 CG PHE A 56 -4.409 4.005 2.699 1.00 0.30 C ATOM 455 CD1 PHE A 56 -4.095 2.996 3.593 1.00 0.29 C ATOM 456 CD2 PHE A 56 -4.555 3.683 1.364 1.00 0.34 C ATOM 457 CE1 PHE A 56 -3.928 1.693 3.165 1.00 0.30 C ATOM 458 CE2 PHE A 56 -4.382 2.381 0.928 1.00 0.34 C ATOM 459 CZ PHE A 56 -4.070 1.387 1.830 1.00 0.27 C ATOM 0 H PHE A 56 -2.734 4.702 4.660 1.00 0.30 H new ATOM 0 HA PHE A 56 -2.921 6.465 2.444 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -5.197 5.369 4.112 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -5.263 5.925 2.451 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -3.979 3.231 4.641 1.00 0.29 H new ATOM 0 HD2 PHE A 56 -4.807 4.456 0.653 1.00 0.34 H new ATOM 0 HE1 PHE A 56 -3.687 0.916 3.876 1.00 0.30 H new ATOM 0 HE2 PHE A 56 -4.492 2.144 -0.120 1.00 0.34 H new ATOM 0 HZ PHE A 56 -3.937 0.370 1.491 1.00 0.27 H new ATOM 469 N ASN A 57 -3.612 8.663 3.543 1.00 0.24 N ATOM 470 CA ASN A 57 -4.154 9.861 4.141 1.00 0.31 C ATOM 471 C ASN A 57 -5.557 10.026 3.631 1.00 0.33 C ATOM 472 O ASN A 57 -5.779 10.645 2.608 1.00 0.41 O ATOM 473 CB ASN A 57 -3.340 11.109 3.801 1.00 0.45 C ATOM 474 CG ASN A 57 -1.850 10.865 3.799 1.00 1.09 C ATOM 475 OD1 ASN A 57 -1.270 10.610 2.749 1.00 2.12 O ATOM 476 ND2 ASN A 57 -1.227 10.923 4.966 1.00 1.16 N ATOM 0 H ASN A 57 -3.111 8.797 2.665 1.00 0.24 H new ATOM 0 HA ASN A 57 -4.125 9.753 5.225 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -3.643 11.476 2.820 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -3.572 11.894 4.521 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -0.223 10.752 5.017 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -1.751 11.139 5.814 1.00 1.16 H new ATOM 483 N THR A 58 -6.499 9.507 4.377 1.00 0.34 N ATOM 484 CA THR A 58 -7.888 9.518 3.978 1.00 0.40 C ATOM 485 C THR A 58 -8.532 10.842 4.340 1.00 0.48 C ATOM 486 O THR A 58 -9.671 11.123 3.977 1.00 0.61 O ATOM 487 CB THR A 58 -8.612 8.361 4.671 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.126 8.249 6.016 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.373 7.056 3.930 1.00 0.48 C ATOM 0 H THR A 58 -6.327 9.064 5.279 1.00 0.34 H new ATOM 0 HA THR A 58 -7.959 9.395 2.897 1.00 0.40 H new ATOM 0 HB THR A 58 -9.683 8.561 4.674 1.00 0.40 H new ATOM 0 HG1 THR A 58 -8.585 7.511 6.469 1.00 0.43 H new ATOM 0 HG21 THR A 58 -8.897 6.247 4.440 1.00 0.48 H new ATOM 0 HG22 THR A 58 -8.746 7.143 2.910 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.305 6.840 3.909 1.00 0.48 H new ATOM 497 N THR A 59 -7.770 11.664 5.041 1.00 0.50 N ATOM 498 CA THR A 59 -8.220 12.970 5.452 1.00 0.63 C ATOM 499 C THR A 59 -8.065 13.965 4.301 1.00 0.67 C ATOM 500 O THR A 59 -8.939 14.793 4.064 1.00 0.77 O ATOM 501 CB THR A 59 -7.429 13.425 6.696 1.00 0.74 C ATOM 502 OG1 THR A 59 -7.889 12.726 7.849 1.00 0.86 O ATOM 503 CG2 THR A 59 -7.531 14.922 6.920 1.00 0.90 C ATOM 0 H THR A 59 -6.821 11.438 5.339 1.00 0.50 H new ATOM 0 HA THR A 59 -9.277 12.925 5.716 1.00 0.63 H new ATOM 0 HB THR A 59 -6.379 13.191 6.521 1.00 0.74 H new ATOM 0 HG1 THR A 59 -7.381 13.019 8.634 1.00 0.86 H new ATOM 0 HG21 THR A 59 -6.959 15.197 7.806 1.00 0.90 H new ATOM 0 HG22 THR A 59 -7.132 15.448 6.053 1.00 0.90 H new ATOM 0 HG23 THR A 59 -8.576 15.198 7.062 1.00 0.90 H new ATOM 511 N ASN A 60 -6.967 13.841 3.558 1.00 0.65 N ATOM 512 CA ASN A 60 -6.751 14.665 2.371 1.00 0.74 C ATOM 513 C ASN A 60 -7.015 13.827 1.132 1.00 0.72 C ATOM 514 O ASN A 60 -7.042 14.325 0.007 1.00 0.84 O ATOM 515 CB ASN A 60 -5.317 15.205 2.314 1.00 0.86 C ATOM 516 CG ASN A 60 -4.871 15.860 3.605 1.00 1.17 C ATOM 517 OD1 ASN A 60 -5.174 17.021 3.862 1.00 1.99 O ATOM 518 ND2 ASN A 60 -4.109 15.129 4.406 1.00 1.69 N ATOM 0 H ASN A 60 -6.216 13.180 3.756 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.433 15.514 2.416 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -4.637 14.387 2.076 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -5.241 15.929 1.502 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -3.751 15.528 5.274 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -3.881 14.167 4.155 1.00 1.69 H new ATOM 525 N LYS A 61 -7.219 12.540 1.392 1.00 0.64 N ATOM 526 CA LYS A 61 -7.405 11.512 0.377 1.00 0.66 C ATOM 527 C LYS A 61 -6.183 11.396 -0.538 1.00 0.65 C ATOM 528 O LYS A 61 -6.296 11.332 -1.765 1.00 0.94 O ATOM 529 CB LYS A 61 -8.678 11.738 -0.420 1.00 0.84 C ATOM 530 CG LYS A 61 -9.916 11.849 0.452 1.00 0.96 C ATOM 531 CD LYS A 61 -10.638 13.161 0.229 1.00 0.99 C ATOM 532 CE LYS A 61 -11.126 13.293 -1.205 1.00 1.06 C ATOM 533 NZ LYS A 61 -12.141 12.262 -1.546 1.00 1.65 N ATOM 0 H LYS A 61 -7.261 12.174 2.343 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.512 10.560 0.897 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -8.573 12.649 -1.009 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -8.809 10.916 -1.124 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -10.590 11.020 0.235 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -9.632 11.763 1.501 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -11.486 13.231 0.911 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -9.970 13.989 0.465 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -11.553 14.285 -1.352 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -10.279 13.206 -1.885 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -12.508 12.440 -2.503 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -11.703 11.319 -1.513 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -12.923 12.305 -0.862 1.00 1.65 H new ATOM 547 N SER A 62 -5.023 11.337 0.093 1.00 0.41 N ATOM 548 CA SER A 62 -3.749 11.178 -0.586 1.00 0.38 C ATOM 549 C SER A 62 -3.057 9.917 -0.072 1.00 0.35 C ATOM 550 O SER A 62 -3.454 9.364 0.950 1.00 0.50 O ATOM 551 CB SER A 62 -2.875 12.406 -0.316 1.00 0.47 C ATOM 552 OG SER A 62 -2.774 12.676 1.075 1.00 1.28 O ATOM 0 H SER A 62 -4.939 11.399 1.108 1.00 0.41 H new ATOM 0 HA SER A 62 -3.910 11.084 -1.660 1.00 0.38 H new ATOM 0 HB2 SER A 62 -1.880 12.244 -0.730 1.00 0.47 H new ATOM 0 HB3 SER A 62 -3.295 13.273 -0.827 1.00 0.47 H new ATOM 0 HG SER A 62 -2.160 12.035 1.489 1.00 1.28 H new ATOM 558 N ILE A 63 -2.038 9.453 -0.774 1.00 0.36 N ATOM 559 CA ILE A 63 -1.230 8.356 -0.264 1.00 0.33 C ATOM 560 C ILE A 63 0.077 8.915 0.276 1.00 0.35 C ATOM 561 O ILE A 63 0.662 9.814 -0.323 1.00 0.54 O ATOM 562 CB ILE A 63 -0.875 7.271 -1.315 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.001 7.038 -2.340 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.531 5.973 -0.594 1.00 0.39 C ATOM 565 CD1 ILE A 63 -1.920 5.689 -3.022 1.00 1.11 C ATOM 0 H ILE A 63 -1.752 9.811 -1.685 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.837 7.875 0.503 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.015 7.627 -1.883 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -2.964 7.126 -1.838 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -1.963 7.822 -3.096 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.280 5.205 -1.326 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.321 6.138 0.065 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -1.388 5.646 -0.005 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -2.742 5.590 -3.731 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -0.971 5.606 -3.552 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -1.988 4.899 -2.274 1.00 1.11 H new ATOM 577 N ASN A 64 0.516 8.413 1.414 1.00 0.25 N ATOM 578 CA ASN A 64 1.824 8.764 1.946 1.00 0.25 C ATOM 579 C ASN A 64 2.615 7.508 2.237 1.00 0.21 C ATOM 580 O ASN A 64 2.247 6.723 3.111 1.00 0.24 O ATOM 581 CB ASN A 64 1.709 9.590 3.224 1.00 0.34 C ATOM 582 CG ASN A 64 1.777 11.091 2.987 1.00 0.57 C ATOM 583 OD1 ASN A 64 2.203 11.845 3.861 1.00 1.22 O ATOM 584 ND2 ASN A 64 1.368 11.541 1.810 1.00 0.53 N ATOM 0 H ASN A 64 -0.013 7.759 1.991 1.00 0.25 H new ATOM 0 HA ASN A 64 2.335 9.365 1.194 1.00 0.25 H new ATOM 0 HB2 ASN A 64 0.767 9.351 3.718 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.509 9.302 3.906 1.00 0.34 H new ATOM 0 HD21 ASN A 64 1.401 12.540 1.606 1.00 0.53 H new ATOM 0 HD22 ASN A 64 1.020 10.889 1.107 1.00 0.53 H new ATOM 591 N VAL A 65 3.682 7.306 1.492 1.00 0.20 N ATOM 592 CA VAL A 65 4.551 6.167 1.717 1.00 0.18 C ATOM 593 C VAL A 65 5.947 6.661 2.052 1.00 0.20 C ATOM 594 O VAL A 65 6.592 7.323 1.236 1.00 0.25 O ATOM 595 CB VAL A 65 4.622 5.237 0.491 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.312 3.928 0.847 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.237 4.978 -0.077 1.00 0.19 C ATOM 0 H VAL A 65 3.969 7.915 0.726 1.00 0.20 H new ATOM 0 HA VAL A 65 4.136 5.592 2.545 1.00 0.18 H new ATOM 0 HB VAL A 65 5.213 5.737 -0.277 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.351 3.286 -0.033 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.325 4.133 1.192 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.754 3.426 1.637 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.316 4.319 -0.941 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.614 4.507 0.683 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.786 5.923 -0.381 1.00 0.19 H new ATOM 607 N TYR A 66 6.402 6.360 3.252 1.00 0.19 N ATOM 608 CA TYR A 66 7.672 6.870 3.729 1.00 0.21 C ATOM 609 C TYR A 66 8.408 5.842 4.572 1.00 0.21 C ATOM 610 O TYR A 66 7.814 4.936 5.128 1.00 0.24 O ATOM 611 CB TYR A 66 7.457 8.159 4.532 1.00 0.27 C ATOM 612 CG TYR A 66 6.286 8.099 5.492 1.00 0.31 C ATOM 613 CD1 TYR A 66 6.465 7.647 6.791 1.00 0.40 C ATOM 614 CD2 TYR A 66 5.011 8.497 5.106 1.00 0.33 C ATOM 615 CE1 TYR A 66 5.411 7.589 7.680 1.00 0.50 C ATOM 616 CE2 TYR A 66 3.949 8.444 5.992 1.00 0.43 C ATOM 617 CZ TYR A 66 4.118 7.992 7.230 1.00 0.51 C ATOM 618 OH TYR A 66 3.111 7.935 8.170 1.00 0.63 O ATOM 0 H TYR A 66 5.909 5.763 3.916 1.00 0.19 H new ATOM 0 HA TYR A 66 8.290 7.088 2.858 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.364 8.380 5.095 1.00 0.27 H new ATOM 0 HB3 TYR A 66 7.303 8.986 3.838 1.00 0.27 H new ATOM 0 HD1 TYR A 66 7.447 7.335 7.113 1.00 0.40 H new ATOM 0 HD2 TYR A 66 4.847 8.853 4.100 1.00 0.33 H new ATOM 0 HE1 TYR A 66 5.561 7.246 8.693 1.00 0.50 H new ATOM 0 HE2 TYR A 66 2.971 8.774 5.673 1.00 0.43 H new ATOM 0 HH TYR A 66 2.626 8.786 8.182 1.00 0.63 H new ATOM 628 N SER A 67 9.709 5.992 4.628 1.00 0.21 N ATOM 629 CA SER A 67 10.563 5.178 5.463 1.00 0.24 C ATOM 630 C SER A 67 11.689 6.056 5.976 1.00 0.28 C ATOM 631 O SER A 67 11.626 7.280 5.836 1.00 0.30 O ATOM 632 CB SER A 67 11.124 3.983 4.687 1.00 0.26 C ATOM 633 OG SER A 67 12.033 4.392 3.675 1.00 0.29 O ATOM 0 H SER A 67 10.214 6.694 4.087 1.00 0.21 H new ATOM 0 HA SER A 67 9.986 4.775 6.295 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.628 3.306 5.377 1.00 0.26 H new ATOM 0 HB3 SER A 67 10.304 3.425 4.235 1.00 0.26 H new ATOM 0 HG SER A 67 12.274 3.621 3.120 1.00 0.29 H new ATOM 639 N LYS A 68 12.690 5.446 6.590 1.00 0.33 N ATOM 640 CA LYS A 68 13.881 6.162 7.034 1.00 0.38 C ATOM 641 C LYS A 68 14.410 7.079 5.930 1.00 0.36 C ATOM 642 O LYS A 68 14.914 8.172 6.191 1.00 0.42 O ATOM 643 CB LYS A 68 14.986 5.178 7.411 1.00 0.47 C ATOM 644 CG LYS A 68 14.729 4.334 8.655 1.00 0.63 C ATOM 645 CD LYS A 68 13.680 3.246 8.450 1.00 1.00 C ATOM 646 CE LYS A 68 13.656 2.277 9.625 1.00 1.58 C ATOM 647 NZ LYS A 68 12.696 1.159 9.416 1.00 2.03 N ATOM 0 H LYS A 68 12.703 4.447 6.795 1.00 0.33 H new ATOM 0 HA LYS A 68 13.599 6.759 7.902 1.00 0.38 H new ATOM 0 HB2 LYS A 68 15.152 4.507 6.568 1.00 0.47 H new ATOM 0 HB3 LYS A 68 15.909 5.738 7.559 1.00 0.47 H new ATOM 0 HG2 LYS A 68 15.664 3.870 8.969 1.00 0.63 H new ATOM 0 HG3 LYS A 68 14.409 4.987 9.467 1.00 0.63 H new ATOM 0 HD2 LYS A 68 12.697 3.702 8.331 1.00 1.00 H new ATOM 0 HD3 LYS A 68 13.892 2.701 7.530 1.00 1.00 H new ATOM 0 HE2 LYS A 68 14.656 1.871 9.778 1.00 1.58 H new ATOM 0 HE3 LYS A 68 13.389 2.817 10.533 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 12.367 0.807 10.338 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 11.883 1.499 8.864 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 13.167 0.389 8.900 1.00 2.03 H new ATOM 661 N CYS A 69 14.277 6.617 4.700 1.00 0.36 N ATOM 662 CA CYS A 69 14.848 7.304 3.549 1.00 0.37 C ATOM 663 C CYS A 69 13.780 7.840 2.581 1.00 0.41 C ATOM 664 O CYS A 69 13.766 9.033 2.283 1.00 0.74 O ATOM 665 CB CYS A 69 15.789 6.342 2.840 1.00 0.38 C ATOM 666 SG CYS A 69 17.043 5.618 3.949 1.00 0.38 S ATOM 0 H CYS A 69 13.774 5.761 4.468 1.00 0.36 H new ATOM 0 HA CYS A 69 15.391 8.180 3.904 1.00 0.37 H new ATOM 0 HB2 CYS A 69 15.206 5.540 2.388 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.291 6.867 2.028 1.00 0.38 H new ATOM 671 N ILE A 70 12.883 6.977 2.100 1.00 0.25 N ATOM 672 CA ILE A 70 11.913 7.383 1.073 1.00 0.22 C ATOM 673 C ILE A 70 10.726 8.099 1.704 1.00 0.23 C ATOM 674 O ILE A 70 10.386 7.851 2.858 1.00 0.27 O ATOM 675 CB ILE A 70 11.422 6.172 0.241 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.583 6.614 -0.960 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.614 5.214 1.101 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.574 5.597 -2.066 1.00 0.23 C ATOM 0 H ILE A 70 12.805 6.005 2.398 1.00 0.25 H new ATOM 0 HA ILE A 70 12.424 8.071 0.399 1.00 0.22 H new ATOM 0 HB ILE A 70 12.310 5.660 -0.129 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.560 6.800 -0.634 1.00 0.20 H new ATOM 0 HG13 ILE A 70 10.972 7.558 -1.343 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.281 4.372 0.494 1.00 0.22 H new ATOM 0 HG22 ILE A 70 11.234 4.848 1.919 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.747 5.734 1.508 1.00 0.22 H new ATOM 0 HD11 ILE A 70 9.964 5.963 -2.892 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.593 5.429 -2.414 1.00 0.23 H new ATOM 0 HD13 ILE A 70 10.158 4.660 -1.695 1.00 0.23 H new ATOM 690 N SER A 71 10.122 9.004 0.953 1.00 0.24 N ATOM 691 CA SER A 71 8.964 9.755 1.406 1.00 0.28 C ATOM 692 C SER A 71 8.218 10.316 0.202 1.00 0.29 C ATOM 693 O SER A 71 8.744 11.163 -0.517 1.00 0.39 O ATOM 694 CB SER A 71 9.399 10.896 2.329 1.00 0.42 C ATOM 695 OG SER A 71 10.060 10.405 3.487 1.00 1.12 O ATOM 0 H SER A 71 10.423 9.240 0.007 1.00 0.24 H new ATOM 0 HA SER A 71 8.304 9.090 1.963 1.00 0.28 H new ATOM 0 HB2 SER A 71 10.063 11.570 1.788 1.00 0.42 H new ATOM 0 HB3 SER A 71 8.527 11.478 2.626 1.00 0.42 H new ATOM 0 HG SER A 71 9.919 9.438 3.559 1.00 1.12 H new ATOM 701 N GLY A 72 7.014 9.830 -0.044 1.00 0.30 N ATOM 702 CA GLY A 72 6.281 10.289 -1.201 1.00 0.42 C ATOM 703 C GLY A 72 4.814 10.513 -0.940 1.00 0.31 C ATOM 704 O GLY A 72 4.186 9.785 -0.167 1.00 0.40 O ATOM 0 H GLY A 72 6.536 9.135 0.529 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.724 11.220 -1.555 1.00 0.42 H new ATOM 0 HA3 GLY A 72 6.391 9.559 -2.003 1.00 0.42 H new ATOM 708 N LYS A 73 4.278 11.529 -1.594 1.00 0.24 N ATOM 709 CA LYS A 73 2.859 11.816 -1.560 1.00 0.23 C ATOM 710 C LYS A 73 2.223 11.284 -2.829 1.00 0.21 C ATOM 711 O LYS A 73 2.877 11.181 -3.855 1.00 0.27 O ATOM 712 CB LYS A 73 2.624 13.328 -1.443 1.00 0.35 C ATOM 713 CG LYS A 73 1.169 13.769 -1.534 1.00 1.00 C ATOM 714 CD LYS A 73 0.968 14.725 -2.689 1.00 0.70 C ATOM 715 CE LYS A 73 0.948 13.978 -3.997 1.00 0.43 C ATOM 716 NZ LYS A 73 0.835 14.883 -5.170 1.00 0.64 N ATOM 0 H LYS A 73 4.819 12.179 -2.165 1.00 0.24 H new ATOM 0 HA LYS A 73 2.409 11.334 -0.692 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.031 13.670 -0.492 1.00 0.35 H new ATOM 0 HB3 LYS A 73 3.188 13.829 -2.230 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.528 12.897 -1.662 1.00 1.00 H new ATOM 0 HG3 LYS A 73 0.871 14.250 -0.602 1.00 1.00 H new ATOM 0 HD2 LYS A 73 0.032 15.268 -2.560 1.00 0.70 H new ATOM 0 HD3 LYS A 73 1.768 15.465 -2.699 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.858 13.385 -4.087 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.111 13.280 -4.000 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 1.628 14.710 -5.820 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 -0.062 14.702 -5.663 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 0.860 15.872 -4.849 1.00 0.64 H new ATOM 730 N ALA A 74 0.959 10.954 -2.753 1.00 0.21 N ATOM 731 CA ALA A 74 0.218 10.483 -3.907 1.00 0.22 C ATOM 732 C ALA A 74 -1.238 10.877 -3.774 1.00 0.26 C ATOM 733 O ALA A 74 -1.672 11.237 -2.694 1.00 0.41 O ATOM 734 CB ALA A 74 0.349 8.975 -4.030 1.00 0.23 C ATOM 0 H ALA A 74 0.411 11.002 -1.894 1.00 0.21 H new ATOM 0 HA ALA A 74 0.627 10.941 -4.808 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.211 8.631 -4.900 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.400 8.709 -4.147 1.00 0.23 H new ATOM 0 HB3 ALA A 74 -0.048 8.501 -3.132 1.00 0.23 H new ATOM 740 N VAL A 75 -1.978 10.855 -4.865 1.00 0.28 N ATOM 741 CA VAL A 75 -3.422 11.020 -4.796 1.00 0.33 C ATOM 742 C VAL A 75 -4.076 9.742 -5.280 1.00 0.29 C ATOM 743 O VAL A 75 -3.747 9.248 -6.361 1.00 0.29 O ATOM 744 CB VAL A 75 -3.923 12.192 -5.655 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.404 12.439 -5.423 1.00 0.81 C ATOM 746 CG2 VAL A 75 -3.111 13.450 -5.390 1.00 0.80 C ATOM 0 H VAL A 75 -1.608 10.725 -5.807 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.685 11.237 -3.761 1.00 0.33 H new ATOM 0 HB VAL A 75 -3.787 11.923 -6.703 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -5.735 13.273 -6.042 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -5.968 11.545 -5.688 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -5.573 12.677 -4.373 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.487 14.263 -6.011 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -3.199 13.725 -4.339 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -2.064 13.265 -5.630 1.00 0.80 H new ATOM 756 N TYR A 76 -4.991 9.206 -4.497 1.00 0.29 N ATOM 757 CA TYR A 76 -5.533 7.891 -4.794 1.00 0.25 C ATOM 758 C TYR A 76 -6.910 7.966 -5.432 1.00 0.29 C ATOM 759 O TYR A 76 -7.665 8.918 -5.228 1.00 0.42 O ATOM 760 CB TYR A 76 -5.538 6.974 -3.556 1.00 0.29 C ATOM 761 CG TYR A 76 -6.372 7.419 -2.376 1.00 0.38 C ATOM 762 CD1 TYR A 76 -7.755 7.465 -2.475 1.00 0.46 C ATOM 763 CD2 TYR A 76 -5.784 7.839 -1.189 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.531 7.907 -1.418 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.551 8.286 -0.130 1.00 0.56 C ATOM 766 CZ TYR A 76 -7.887 8.155 -0.163 1.00 0.64 C ATOM 767 OH TYR A 76 -8.689 8.763 0.803 1.00 0.75 O ATOM 0 H TYR A 76 -5.372 9.651 -3.662 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.863 7.443 -5.528 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -5.887 5.989 -3.865 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -4.509 6.856 -3.218 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.233 7.151 -3.391 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -4.709 7.816 -1.092 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.593 8.061 -1.536 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.075 8.742 0.726 1.00 0.56 H new ATOM 0 HH TYR A 76 -9.462 8.192 0.993 1.00 0.75 H new ATOM 777 N SER A 77 -7.213 6.940 -6.207 1.00 0.25 N ATOM 778 CA SER A 77 -8.465 6.838 -6.928 1.00 0.29 C ATOM 779 C SER A 77 -8.803 5.370 -7.140 1.00 0.23 C ATOM 780 O SER A 77 -8.019 4.496 -6.761 1.00 0.26 O ATOM 781 CB SER A 77 -8.356 7.571 -8.260 1.00 0.39 C ATOM 782 OG SER A 77 -7.154 7.229 -8.930 1.00 0.98 O ATOM 0 H SER A 77 -6.589 6.147 -6.354 1.00 0.25 H new ATOM 0 HA SER A 77 -9.265 7.302 -6.350 1.00 0.29 H new ATOM 0 HB2 SER A 77 -9.211 7.321 -8.888 1.00 0.39 H new ATOM 0 HB3 SER A 77 -8.389 8.647 -8.091 1.00 0.39 H new ATOM 0 HG SER A 77 -7.107 7.710 -9.783 1.00 0.98 H new ATOM 788 N PHE A 78 -9.955 5.095 -7.731 1.00 0.20 N ATOM 789 CA PHE A 78 -10.397 3.720 -7.921 1.00 0.20 C ATOM 790 C PHE A 78 -10.856 3.461 -9.344 1.00 0.22 C ATOM 791 O PHE A 78 -11.507 4.305 -9.964 1.00 0.28 O ATOM 792 CB PHE A 78 -11.528 3.381 -6.956 1.00 0.24 C ATOM 793 CG PHE A 78 -11.057 3.084 -5.572 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.565 1.833 -5.261 1.00 0.36 C ATOM 795 CD2 PHE A 78 -11.107 4.051 -4.584 1.00 0.37 C ATOM 796 CE1 PHE A 78 -10.130 1.545 -3.990 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.672 3.771 -3.307 1.00 0.47 C ATOM 798 CZ PHE A 78 -10.183 2.513 -3.010 1.00 0.50 C ATOM 0 H PHE A 78 -10.599 5.801 -8.086 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.538 3.081 -7.719 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.229 4.215 -6.922 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -12.076 2.520 -7.338 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.521 1.071 -6.026 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.490 5.034 -4.816 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.747 0.562 -3.759 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.713 4.532 -2.541 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.842 2.288 -2.010 1.00 0.50 H new ATOM 808 N ASN A 79 -10.498 2.294 -9.853 1.00 0.21 N ATOM 809 CA ASN A 79 -10.986 1.832 -11.138 1.00 0.23 C ATOM 810 C ASN A 79 -11.269 0.338 -11.071 1.00 0.26 C ATOM 811 O ASN A 79 -10.345 -0.466 -10.972 1.00 0.31 O ATOM 812 CB ASN A 79 -9.956 2.128 -12.224 1.00 0.31 C ATOM 813 CG ASN A 79 -10.382 1.637 -13.597 1.00 0.45 C ATOM 814 OD1 ASN A 79 -11.571 1.576 -13.912 1.00 0.77 O ATOM 815 ND2 ASN A 79 -9.410 1.286 -14.428 1.00 0.59 N ATOM 0 H ASN A 79 -9.864 1.644 -9.388 1.00 0.21 H new ATOM 0 HA ASN A 79 -11.910 2.357 -11.382 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -9.781 3.203 -12.267 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.009 1.661 -11.955 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -9.636 0.951 -15.365 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -8.437 1.351 -14.130 1.00 0.59 H new ATOM 822 N ALA A 80 -12.551 -0.019 -11.105 1.00 0.28 N ATOM 823 CA ALA A 80 -12.981 -1.418 -11.029 1.00 0.38 C ATOM 824 C ALA A 80 -12.448 -2.107 -9.767 1.00 0.46 C ATOM 825 O ALA A 80 -12.003 -3.258 -9.810 1.00 0.95 O ATOM 826 CB ALA A 80 -12.551 -2.178 -12.279 1.00 0.45 C ATOM 0 H ALA A 80 -13.319 0.647 -11.186 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.069 -1.426 -10.972 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -12.879 -3.215 -12.205 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.001 -1.717 -13.158 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -11.465 -2.146 -12.369 1.00 0.45 H new ATOM 832 N GLY A 81 -12.482 -1.388 -8.650 1.00 0.24 N ATOM 833 CA GLY A 81 -12.027 -1.934 -7.384 1.00 0.21 C ATOM 834 C GLY A 81 -10.519 -1.889 -7.237 1.00 0.21 C ATOM 835 O GLY A 81 -9.971 -2.345 -6.234 1.00 0.31 O ATOM 0 H GLY A 81 -12.820 -0.427 -8.599 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.485 -1.376 -6.567 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.366 -2.966 -7.295 1.00 0.21 H new ATOM 839 N LYS A 82 -9.842 -1.348 -8.237 1.00 0.19 N ATOM 840 CA LYS A 82 -8.401 -1.206 -8.185 1.00 0.20 C ATOM 841 C LYS A 82 -8.026 0.142 -7.583 1.00 0.20 C ATOM 842 O LYS A 82 -8.355 1.195 -8.134 1.00 0.26 O ATOM 843 CB LYS A 82 -7.804 -1.348 -9.584 1.00 0.23 C ATOM 844 CG LYS A 82 -7.923 -2.751 -10.146 1.00 0.26 C ATOM 845 CD LYS A 82 -7.195 -3.742 -9.261 1.00 0.23 C ATOM 846 CE LYS A 82 -7.310 -5.169 -9.776 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.727 -5.330 -11.135 1.00 1.32 N ATOM 0 H LYS A 82 -10.271 -1.000 -9.095 1.00 0.19 H new ATOM 0 HA LYS A 82 -7.994 -1.995 -7.552 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.303 -0.651 -10.257 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.752 -1.064 -9.553 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -8.974 -3.029 -10.225 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -7.508 -2.782 -11.154 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.143 -3.465 -9.198 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -7.600 -3.689 -8.250 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -6.805 -5.844 -9.085 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -8.360 -5.461 -9.797 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -6.675 -6.341 -11.373 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -7.327 -4.841 -11.830 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -5.771 -4.920 -11.154 1.00 1.32 H new ATOM 861 N PHE A 83 -7.350 0.093 -6.449 1.00 0.16 N ATOM 862 CA PHE A 83 -6.933 1.285 -5.724 1.00 0.16 C ATOM 863 C PHE A 83 -5.631 1.832 -6.298 1.00 0.16 C ATOM 864 O PHE A 83 -4.684 1.088 -6.549 1.00 0.17 O ATOM 865 CB PHE A 83 -6.798 0.941 -4.227 1.00 0.15 C ATOM 866 CG PHE A 83 -5.828 1.790 -3.449 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.234 2.974 -2.851 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.504 1.391 -3.309 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.338 3.742 -2.135 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.605 2.157 -2.590 1.00 0.22 C ATOM 871 CZ PHE A 83 -4.026 3.333 -2.005 1.00 0.22 C ATOM 0 H PHE A 83 -7.072 -0.780 -6.000 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.684 2.067 -5.834 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.781 1.026 -3.763 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.493 -0.102 -4.138 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -7.260 3.298 -2.946 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.173 0.471 -3.768 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.664 4.664 -1.676 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.579 1.836 -2.487 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.327 3.936 -1.444 1.00 0.22 H new ATOM 881 N MET A 84 -5.595 3.136 -6.517 1.00 0.19 N ATOM 882 CA MET A 84 -4.469 3.754 -7.193 1.00 0.19 C ATOM 883 C MET A 84 -3.836 4.847 -6.368 1.00 0.24 C ATOM 884 O MET A 84 -4.225 5.080 -5.232 1.00 0.44 O ATOM 885 CB MET A 84 -4.924 4.323 -8.526 1.00 0.22 C ATOM 886 CG MET A 84 -5.655 3.310 -9.357 1.00 0.21 C ATOM 887 SD MET A 84 -6.100 3.916 -10.980 1.00 0.25 S ATOM 888 CE MET A 84 -6.514 2.346 -11.695 1.00 0.23 C ATOM 0 H MET A 84 -6.331 3.785 -6.237 1.00 0.19 H new ATOM 0 HA MET A 84 -3.716 2.981 -7.348 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.572 5.181 -8.350 1.00 0.22 H new ATOM 0 HB3 MET A 84 -4.057 4.686 -9.079 1.00 0.22 H new ATOM 0 HG2 MET A 84 -5.032 2.422 -9.466 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.559 3.003 -8.831 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.101 2.502 -12.600 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.600 1.807 -11.944 1.00 0.23 H new ATOM 0 HE3 MET A 84 -7.096 1.763 -10.981 1.00 0.23 H new ATOM 898 N GLY A 85 -2.850 5.506 -6.954 1.00 0.19 N ATOM 899 CA GLY A 85 -2.206 6.622 -6.303 1.00 0.23 C ATOM 900 C GLY A 85 -1.023 7.136 -7.090 1.00 0.30 C ATOM 901 O GLY A 85 0.006 6.473 -7.164 1.00 0.61 O ATOM 0 H GLY A 85 -2.482 5.283 -7.879 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -2.928 7.427 -6.168 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.876 6.320 -5.309 1.00 0.23 H new ATOM 905 N ASN A 86 -1.165 8.310 -7.691 1.00 0.27 N ATOM 906 CA ASN A 86 -0.072 8.910 -8.451 1.00 0.30 C ATOM 907 C ASN A 86 0.918 9.573 -7.497 1.00 0.24 C ATOM 908 O ASN A 86 0.574 10.539 -6.815 1.00 0.23 O ATOM 909 CB ASN A 86 -0.600 9.938 -9.452 1.00 0.41 C ATOM 910 CG ASN A 86 0.434 10.294 -10.498 1.00 0.58 C ATOM 911 OD1 ASN A 86 0.484 9.684 -11.564 1.00 1.51 O ATOM 912 ND2 ASN A 86 1.274 11.270 -10.197 1.00 0.93 N ATOM 0 H ASN A 86 -2.021 8.865 -7.669 1.00 0.27 H new ATOM 0 HA ASN A 86 0.433 8.121 -9.008 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -1.490 9.543 -9.942 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -0.903 10.840 -8.920 1.00 0.41 H new ATOM 0 HD21 ASN A 86 1.998 11.542 -10.861 1.00 0.93 H new ATOM 0 HD22 ASN A 86 1.197 11.750 -9.301 1.00 0.93 H new ATOM 919 N PHE A 87 2.145 9.063 -7.473 1.00 0.23 N ATOM 920 CA PHE A 87 3.115 9.433 -6.447 1.00 0.20 C ATOM 921 C PHE A 87 4.057 10.541 -6.868 1.00 0.22 C ATOM 922 O PHE A 87 4.358 10.742 -8.047 1.00 0.30 O ATOM 923 CB PHE A 87 3.953 8.225 -6.026 1.00 0.24 C ATOM 924 CG PHE A 87 3.255 7.292 -5.090 1.00 0.20 C ATOM 925 CD1 PHE A 87 3.341 7.469 -3.722 1.00 0.23 C ATOM 926 CD2 PHE A 87 2.514 6.235 -5.584 1.00 0.23 C ATOM 927 CE1 PHE A 87 2.700 6.605 -2.857 1.00 0.27 C ATOM 928 CE2 PHE A 87 1.870 5.367 -4.729 1.00 0.27 C ATOM 929 CZ PHE A 87 1.956 5.570 -3.343 1.00 0.28 C ATOM 0 H PHE A 87 2.493 8.389 -8.155 1.00 0.23 H new ATOM 0 HA PHE A 87 2.518 9.801 -5.613 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.248 7.673 -6.918 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.869 8.579 -5.553 1.00 0.24 H new ATOM 0 HD1 PHE A 87 3.916 8.293 -3.325 1.00 0.23 H new ATOM 0 HD2 PHE A 87 2.439 6.088 -6.651 1.00 0.23 H new ATOM 0 HE1 PHE A 87 2.788 6.749 -1.790 1.00 0.27 H new ATOM 0 HE2 PHE A 87 1.303 4.536 -5.123 1.00 0.27 H new ATOM 0 HZ PHE A 87 1.436 4.910 -2.665 1.00 0.28 H new ATOM 939 N ASN A 88 4.512 11.236 -5.849 1.00 0.21 N ATOM 940 CA ASN A 88 5.562 12.225 -5.937 1.00 0.26 C ATOM 941 C ASN A 88 6.551 11.945 -4.814 1.00 0.27 C ATOM 942 O ASN A 88 6.455 12.527 -3.733 1.00 0.42 O ATOM 943 CB ASN A 88 5.001 13.635 -5.782 1.00 0.34 C ATOM 944 CG ASN A 88 4.023 14.024 -6.876 1.00 1.15 C ATOM 945 OD1 ASN A 88 2.814 13.824 -6.743 1.00 2.02 O ATOM 946 ND2 ASN A 88 4.533 14.591 -7.958 1.00 1.66 N ATOM 0 H ASN A 88 4.148 11.124 -4.903 1.00 0.21 H new ATOM 0 HA ASN A 88 6.044 12.164 -6.913 1.00 0.26 H new ATOM 0 HB2 ASN A 88 4.503 13.715 -4.816 1.00 0.34 H new ATOM 0 HB3 ASN A 88 5.827 14.347 -5.774 1.00 0.34 H new ATOM 0 HD21 ASN A 88 3.919 14.880 -8.720 1.00 1.66 H new ATOM 0 HD22 ASN A 88 5.540 14.739 -8.030 1.00 1.66 H new ATOM 953 N VAL A 89 7.471 11.025 -5.053 1.00 0.24 N ATOM 954 CA VAL A 89 8.329 10.517 -3.988 1.00 0.24 C ATOM 955 C VAL A 89 9.709 11.158 -4.021 1.00 0.30 C ATOM 956 O VAL A 89 10.221 11.520 -5.082 1.00 0.34 O ATOM 957 CB VAL A 89 8.524 8.979 -4.073 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.671 8.379 -2.700 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.386 8.300 -4.833 1.00 0.25 C ATOM 0 H VAL A 89 7.645 10.614 -5.970 1.00 0.24 H new ATOM 0 HA VAL A 89 7.818 10.772 -3.060 1.00 0.24 H new ATOM 0 HB VAL A 89 9.444 8.803 -4.631 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.806 7.301 -2.787 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.538 8.815 -2.203 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.775 8.586 -2.115 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.563 7.225 -4.869 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.442 8.496 -4.325 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.341 8.694 -5.848 1.00 0.25 H new ATOM 969 N LYS A 90 10.284 11.317 -2.844 1.00 0.33 N ATOM 970 CA LYS A 90 11.696 11.620 -2.709 1.00 0.41 C ATOM 971 C LYS A 90 12.375 10.389 -2.118 1.00 0.33 C ATOM 972 O LYS A 90 11.889 9.825 -1.133 1.00 0.35 O ATOM 973 CB LYS A 90 11.928 12.836 -1.801 1.00 0.54 C ATOM 974 CG LYS A 90 11.469 12.617 -0.371 1.00 0.99 C ATOM 975 CD LYS A 90 12.244 13.475 0.614 1.00 1.48 C ATOM 976 CE LYS A 90 11.856 14.941 0.526 1.00 2.27 C ATOM 977 NZ LYS A 90 12.556 15.756 1.555 1.00 2.81 N ATOM 0 H LYS A 90 9.787 11.240 -1.957 1.00 0.33 H new ATOM 0 HA LYS A 90 12.112 11.867 -3.686 1.00 0.41 H new ATOM 0 HB2 LYS A 90 12.990 13.082 -1.800 1.00 0.54 H new ATOM 0 HB3 LYS A 90 11.402 13.696 -2.216 1.00 0.54 H new ATOM 0 HG2 LYS A 90 10.406 12.846 -0.293 1.00 0.99 H new ATOM 0 HG3 LYS A 90 11.589 11.566 -0.109 1.00 0.99 H new ATOM 0 HD2 LYS A 90 12.066 13.114 1.627 1.00 1.48 H new ATOM 0 HD3 LYS A 90 13.312 13.371 0.422 1.00 1.48 H new ATOM 0 HE2 LYS A 90 12.096 15.323 -0.466 1.00 2.27 H new ATOM 0 HE3 LYS A 90 10.778 15.041 0.653 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 12.267 16.751 1.465 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 12.307 15.407 2.503 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 13.584 15.680 1.418 1.00 2.81 H new ATOM 991 N GLU A 91 13.458 9.937 -2.721 1.00 0.41 N ATOM 992 CA GLU A 91 14.092 8.726 -2.254 1.00 0.44 C ATOM 993 C GLU A 91 15.576 8.657 -2.607 1.00 0.46 C ATOM 994 O GLU A 91 16.030 9.164 -3.631 1.00 0.62 O ATOM 995 CB GLU A 91 13.327 7.500 -2.758 1.00 0.72 C ATOM 996 CG GLU A 91 13.482 7.156 -4.226 1.00 0.52 C ATOM 997 CD GLU A 91 12.966 8.222 -5.173 1.00 1.20 C ATOM 998 OE1 GLU A 91 11.734 8.384 -5.277 1.00 1.57 O ATOM 999 OE2 GLU A 91 13.786 8.886 -5.839 1.00 1.68 O ATOM 0 H GLU A 91 13.908 10.383 -3.521 1.00 0.41 H new ATOM 0 HA GLU A 91 14.051 8.736 -1.165 1.00 0.44 H new ATOM 0 HB2 GLU A 91 13.643 6.637 -2.171 1.00 0.72 H new ATOM 0 HB3 GLU A 91 12.267 7.653 -2.555 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.537 6.979 -4.437 1.00 0.52 H new ATOM 0 HG3 GLU A 91 12.956 6.223 -4.426 1.00 0.52 H new ATOM 1006 N VAL A 92 16.311 8.048 -1.695 1.00 0.45 N ATOM 1007 CA VAL A 92 17.751 7.882 -1.780 1.00 0.43 C ATOM 1008 C VAL A 92 18.082 6.577 -2.492 1.00 0.41 C ATOM 1009 O VAL A 92 17.226 5.717 -2.648 1.00 0.40 O ATOM 1010 CB VAL A 92 18.384 7.838 -0.370 1.00 0.44 C ATOM 1011 CG1 VAL A 92 18.056 9.079 0.429 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.924 6.618 0.373 1.00 0.40 C ATOM 0 H VAL A 92 15.911 7.643 -0.849 1.00 0.45 H new ATOM 0 HA VAL A 92 18.153 8.731 -2.334 1.00 0.43 H new ATOM 0 HB VAL A 92 19.465 7.796 -0.499 1.00 0.44 H new ATOM 0 HG11 VAL A 92 18.518 9.011 1.414 1.00 0.53 H new ATOM 0 HG12 VAL A 92 18.438 9.958 -0.091 1.00 0.53 H new ATOM 0 HG13 VAL A 92 16.975 9.165 0.541 1.00 0.53 H new ATOM 0 HG21 VAL A 92 18.379 6.602 1.363 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.839 6.640 0.472 1.00 0.40 H new ATOM 0 HG23 VAL A 92 18.220 5.724 -0.176 1.00 0.40 H new ATOM 1022 N ASP A 93 19.297 6.451 -2.964 1.00 0.44 N ATOM 1023 CA ASP A 93 19.787 5.162 -3.425 1.00 0.45 C ATOM 1024 C ASP A 93 20.625 4.554 -2.318 1.00 0.46 C ATOM 1025 O ASP A 93 21.021 5.255 -1.388 1.00 0.57 O ATOM 1026 CB ASP A 93 20.628 5.289 -4.692 1.00 0.56 C ATOM 1027 CG ASP A 93 19.837 5.730 -5.911 1.00 1.17 C ATOM 1028 OD1 ASP A 93 19.540 6.940 -6.029 1.00 1.83 O ATOM 1029 OD2 ASP A 93 19.479 4.864 -6.741 1.00 1.78 O ATOM 0 H ASP A 93 19.967 7.216 -3.042 1.00 0.44 H new ATOM 0 HA ASP A 93 18.933 4.529 -3.667 1.00 0.45 H new ATOM 0 HB2 ASP A 93 21.431 6.004 -4.514 1.00 0.56 H new ATOM 0 HB3 ASP A 93 21.097 4.328 -4.903 1.00 0.56 H new ATOM 1034 N GLY A 94 20.877 3.263 -2.390 1.00 0.42 N ATOM 1035 CA GLY A 94 21.683 2.626 -1.366 1.00 0.43 C ATOM 1036 C GLY A 94 20.853 2.139 -0.192 1.00 0.40 C ATOM 1037 O GLY A 94 21.045 1.031 0.299 1.00 0.48 O ATOM 0 H GLY A 94 20.544 2.644 -3.129 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.219 1.783 -1.802 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.434 3.331 -1.008 1.00 0.43 H new ATOM 1041 N CYS A 95 19.902 2.962 0.227 1.00 0.33 N ATOM 1042 CA CYS A 95 19.022 2.637 1.347 1.00 0.31 C ATOM 1043 C CYS A 95 18.028 1.596 0.883 1.00 0.27 C ATOM 1044 O CYS A 95 17.595 0.724 1.629 1.00 0.32 O ATOM 1045 CB CYS A 95 18.295 3.905 1.799 1.00 0.33 C ATOM 1046 SG CYS A 95 17.260 3.715 3.284 1.00 0.42 S ATOM 0 H CYS A 95 19.717 3.871 -0.196 1.00 0.33 H new ATOM 0 HA CYS A 95 19.595 2.245 2.187 1.00 0.31 H new ATOM 0 HB2 CYS A 95 19.036 4.682 1.989 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.667 4.256 0.980 1.00 0.33 H new ATOM 1051 N PHE A 96 17.687 1.712 -0.381 1.00 0.24 N ATOM 1052 CA PHE A 96 16.864 0.739 -1.057 1.00 0.23 C ATOM 1053 C PHE A 96 17.757 -0.035 -2.005 1.00 0.24 C ATOM 1054 O PHE A 96 17.300 -0.558 -3.013 1.00 0.23 O ATOM 1055 CB PHE A 96 15.752 1.435 -1.847 1.00 0.24 C ATOM 1056 CG PHE A 96 15.164 2.610 -1.133 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.819 3.806 -1.197 1.00 0.30 C ATOM 1058 CD2 PHE A 96 13.994 2.529 -0.397 1.00 0.21 C ATOM 1059 CE1 PHE A 96 15.342 4.915 -0.535 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.507 3.636 0.265 1.00 0.24 C ATOM 1061 CZ PHE A 96 14.187 4.828 0.196 1.00 0.31 C ATOM 0 H PHE A 96 17.976 2.491 -0.972 1.00 0.24 H new ATOM 0 HA PHE A 96 16.397 0.073 -0.332 1.00 0.23 H new ATOM 0 HB2 PHE A 96 16.150 1.764 -2.807 1.00 0.24 H new ATOM 0 HB3 PHE A 96 14.962 0.715 -2.059 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.727 3.884 -1.777 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.459 1.592 -0.341 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.877 5.851 -0.592 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.593 3.566 0.836 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.811 5.696 0.718 1.00 0.31 H new ATOM 1071 N MET A 97 19.048 -0.080 -1.670 1.00 0.27 N ATOM 1072 CA MET A 97 20.050 -0.718 -2.508 1.00 0.29 C ATOM 1073 C MET A 97 19.791 -0.412 -3.985 1.00 0.31 C ATOM 1074 O MET A 97 19.520 0.736 -4.354 1.00 0.40 O ATOM 1075 CB MET A 97 20.052 -2.230 -2.253 1.00 0.29 C ATOM 1076 CG MET A 97 20.351 -2.600 -0.809 1.00 0.33 C ATOM 1077 SD MET A 97 20.944 -4.295 -0.621 1.00 0.45 S ATOM 1078 CE MET A 97 19.627 -5.224 -1.405 1.00 1.22 C ATOM 0 H MET A 97 19.422 0.325 -0.812 1.00 0.27 H new ATOM 0 HA MET A 97 21.032 -0.320 -2.253 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.081 -2.639 -2.531 1.00 0.29 H new ATOM 0 HB3 MET A 97 20.792 -2.699 -2.901 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.099 -1.914 -0.412 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.448 -2.469 -0.212 1.00 0.33 H new ATOM 0 HE1 MET A 97 19.961 -6.245 -1.588 1.00 1.22 H new ATOM 0 HE2 MET A 97 18.754 -5.239 -0.753 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.364 -4.754 -2.352 1.00 1.22 H new ATOM 1088 N ASP A 98 19.901 -1.427 -4.820 1.00 0.30 N ATOM 1089 CA ASP A 98 19.503 -1.342 -6.203 1.00 0.31 C ATOM 1090 C ASP A 98 18.183 -2.025 -6.442 1.00 0.26 C ATOM 1091 O ASP A 98 17.235 -1.439 -6.962 1.00 0.25 O ATOM 1092 CB ASP A 98 20.571 -2.033 -7.044 1.00 0.40 C ATOM 1093 CG ASP A 98 20.889 -3.460 -6.603 1.00 1.01 C ATOM 1094 OD1 ASP A 98 20.920 -3.712 -5.384 1.00 1.19 O ATOM 1095 OD2 ASP A 98 21.105 -4.336 -7.471 1.00 1.64 O ATOM 0 H ASP A 98 20.272 -2.338 -4.551 1.00 0.30 H new ATOM 0 HA ASP A 98 19.395 -0.292 -6.474 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.244 -2.050 -8.084 1.00 0.40 H new ATOM 0 HB3 ASP A 98 21.486 -1.441 -7.007 1.00 0.40 H new ATOM 1100 N ALA A 99 18.117 -3.247 -5.996 1.00 0.24 N ATOM 1101 CA ALA A 99 17.017 -4.118 -6.319 1.00 0.24 C ATOM 1102 C ALA A 99 15.823 -3.840 -5.432 1.00 0.20 C ATOM 1103 O ALA A 99 14.681 -4.117 -5.795 1.00 0.20 O ATOM 1104 CB ALA A 99 17.467 -5.558 -6.243 1.00 0.28 C ATOM 0 H ALA A 99 18.825 -3.671 -5.396 1.00 0.24 H new ATOM 0 HA ALA A 99 16.693 -3.923 -7.341 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.632 -6.214 -6.488 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.278 -5.724 -6.952 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.816 -5.777 -5.234 1.00 0.28 H new ATOM 1110 N GLN A 100 16.097 -3.284 -4.270 1.00 0.18 N ATOM 1111 CA GLN A 100 15.043 -2.877 -3.362 1.00 0.16 C ATOM 1112 C GLN A 100 14.342 -1.663 -3.936 1.00 0.14 C ATOM 1113 O GLN A 100 13.134 -1.500 -3.807 1.00 0.13 O ATOM 1114 CB GLN A 100 15.607 -2.534 -1.992 1.00 0.19 C ATOM 1115 CG GLN A 100 16.564 -3.578 -1.438 1.00 0.23 C ATOM 1116 CD GLN A 100 16.845 -3.400 0.042 1.00 0.29 C ATOM 1117 OE1 GLN A 100 17.091 -4.369 0.759 1.00 0.83 O ATOM 1118 NE2 GLN A 100 16.811 -2.163 0.509 1.00 1.27 N ATOM 0 H GLN A 100 17.042 -3.103 -3.931 1.00 0.18 H new ATOM 0 HA GLN A 100 14.340 -3.702 -3.246 1.00 0.16 H new ATOM 0 HB2 GLN A 100 16.125 -1.577 -2.053 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.781 -2.405 -1.292 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.146 -4.571 -1.606 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.503 -3.530 -1.989 1.00 0.23 H new ATOM 0 HE21 GLN A 100 16.603 -1.386 -0.119 1.00 1.27 H new ATOM 0 HE22 GLN A 100 16.993 -1.986 1.497 1.00 1.27 H new ATOM 1127 N LYS A 101 15.131 -0.811 -4.566 1.00 0.16 N ATOM 1128 CA LYS A 101 14.612 0.362 -5.238 1.00 0.17 C ATOM 1129 C LYS A 101 13.787 -0.052 -6.447 1.00 0.17 C ATOM 1130 O LYS A 101 12.701 0.478 -6.673 1.00 0.17 O ATOM 1131 CB LYS A 101 15.755 1.301 -5.634 1.00 0.23 C ATOM 1132 CG LYS A 101 15.276 2.560 -6.303 1.00 0.28 C ATOM 1133 CD LYS A 101 16.334 3.649 -6.264 1.00 0.50 C ATOM 1134 CE LYS A 101 15.800 4.964 -6.804 1.00 1.21 C ATOM 1135 NZ LYS A 101 15.519 4.898 -8.262 1.00 1.85 N ATOM 0 H LYS A 101 16.144 -0.914 -4.625 1.00 0.16 H new ATOM 0 HA LYS A 101 13.960 0.906 -4.555 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.327 1.564 -4.744 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.434 0.775 -6.305 1.00 0.23 H new ATOM 0 HG2 LYS A 101 15.012 2.345 -7.338 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.370 2.913 -5.810 1.00 0.28 H new ATOM 0 HD2 LYS A 101 16.677 3.788 -5.239 1.00 0.50 H new ATOM 0 HD3 LYS A 101 17.199 3.338 -6.850 1.00 0.50 H new ATOM 0 HE2 LYS A 101 14.887 5.230 -6.271 1.00 1.21 H new ATOM 0 HE3 LYS A 101 16.524 5.755 -6.610 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 15.205 5.831 -8.598 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 16.383 4.620 -8.770 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 14.772 4.197 -8.440 1.00 1.85 H new ATOM 1149 N ILE A 102 14.309 -0.998 -7.217 1.00 0.17 N ATOM 1150 CA ILE A 102 13.533 -1.659 -8.260 1.00 0.18 C ATOM 1151 C ILE A 102 12.219 -2.191 -7.698 1.00 0.15 C ATOM 1152 O ILE A 102 11.155 -1.976 -8.273 1.00 0.15 O ATOM 1153 CB ILE A 102 14.325 -2.826 -8.868 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.643 -2.299 -9.428 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.513 -3.533 -9.953 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.627 -3.384 -9.788 1.00 0.25 C ATOM 0 H ILE A 102 15.271 -1.327 -7.139 1.00 0.17 H new ATOM 0 HA ILE A 102 13.323 -0.921 -9.034 1.00 0.18 H new ATOM 0 HB ILE A 102 14.534 -3.560 -8.090 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.437 -1.699 -10.315 1.00 0.23 H new ATOM 0 HG13 ILE A 102 16.100 -1.636 -8.694 1.00 0.23 H new ATOM 0 HG21 ILE A 102 14.097 -4.355 -10.367 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.592 -3.924 -9.521 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.271 -2.825 -10.746 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.539 -2.933 -10.179 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.864 -3.970 -8.900 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.190 -4.034 -10.546 1.00 0.25 H new ATOM 1168 N ALA A 103 12.311 -2.882 -6.563 1.00 0.13 N ATOM 1169 CA ALA A 103 11.142 -3.416 -5.866 1.00 0.11 C ATOM 1170 C ALA A 103 10.118 -2.320 -5.607 1.00 0.10 C ATOM 1171 O ALA A 103 8.914 -2.528 -5.734 1.00 0.10 O ATOM 1172 CB ALA A 103 11.565 -4.026 -4.546 1.00 0.11 C ATOM 0 H ALA A 103 13.197 -3.087 -6.101 1.00 0.13 H new ATOM 0 HA ALA A 103 10.688 -4.179 -6.498 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.690 -4.422 -4.031 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.275 -4.833 -4.729 1.00 0.11 H new ATOM 0 HB3 ALA A 103 12.036 -3.262 -3.927 1.00 0.11 H new ATOM 1178 N ILE A 104 10.627 -1.154 -5.257 1.00 0.10 N ATOM 1179 CA ILE A 104 9.807 -0.013 -4.903 1.00 0.11 C ATOM 1180 C ILE A 104 9.236 0.657 -6.142 1.00 0.12 C ATOM 1181 O ILE A 104 8.091 1.107 -6.142 1.00 0.13 O ATOM 1182 CB ILE A 104 10.642 0.971 -4.072 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.850 0.384 -2.691 1.00 0.14 C ATOM 1184 CG2 ILE A 104 10.015 2.352 -3.974 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.401 1.381 -1.718 1.00 0.17 C ATOM 0 H ILE A 104 11.629 -0.971 -5.210 1.00 0.10 H new ATOM 0 HA ILE A 104 8.961 -0.352 -4.306 1.00 0.11 H new ATOM 0 HB ILE A 104 11.597 1.111 -4.579 1.00 0.11 H new ATOM 0 HG12 ILE A 104 9.900 0.002 -2.316 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.530 -0.465 -2.760 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.654 3.000 -3.374 1.00 0.15 H new ATOM 0 HG22 ILE A 104 9.906 2.774 -4.973 1.00 0.15 H new ATOM 0 HG23 ILE A 104 9.034 2.274 -3.505 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.530 0.907 -0.745 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.365 1.744 -2.075 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.710 2.219 -1.625 1.00 0.17 H new ATOM 1197 N ASP A 105 10.033 0.702 -7.199 1.00 0.13 N ATOM 1198 CA ASP A 105 9.561 1.188 -8.489 1.00 0.16 C ATOM 1199 C ASP A 105 8.410 0.314 -8.950 1.00 0.14 C ATOM 1200 O ASP A 105 7.364 0.801 -9.383 1.00 0.17 O ATOM 1201 CB ASP A 105 10.683 1.137 -9.515 1.00 0.21 C ATOM 1202 CG ASP A 105 10.303 1.781 -10.835 1.00 0.36 C ATOM 1203 OD1 ASP A 105 10.489 3.008 -10.977 1.00 0.53 O ATOM 1204 OD2 ASP A 105 9.803 1.067 -11.730 1.00 0.44 O ATOM 0 H ASP A 105 11.010 0.408 -7.190 1.00 0.13 H new ATOM 0 HA ASP A 105 9.229 2.221 -8.387 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.562 1.639 -9.111 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.962 0.098 -9.690 1.00 0.21 H new ATOM 1209 N LYS A 106 8.626 -0.987 -8.822 1.00 0.13 N ATOM 1210 CA LYS A 106 7.602 -1.985 -9.096 1.00 0.13 C ATOM 1211 C LYS A 106 6.350 -1.723 -8.260 1.00 0.12 C ATOM 1212 O LYS A 106 5.242 -1.665 -8.790 1.00 0.14 O ATOM 1213 CB LYS A 106 8.132 -3.379 -8.760 1.00 0.14 C ATOM 1214 CG LYS A 106 9.217 -3.879 -9.683 1.00 0.16 C ATOM 1215 CD LYS A 106 10.039 -4.970 -9.013 1.00 0.18 C ATOM 1216 CE LYS A 106 10.858 -5.758 -10.016 1.00 0.22 C ATOM 1217 NZ LYS A 106 11.790 -6.706 -9.358 1.00 0.29 N ATOM 0 H LYS A 106 9.518 -1.381 -8.525 1.00 0.13 H new ATOM 0 HA LYS A 106 7.346 -1.924 -10.154 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.516 -3.371 -7.740 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.301 -4.084 -8.782 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.771 -4.265 -10.600 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.867 -3.052 -9.969 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.703 -4.522 -8.274 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.375 -5.647 -8.475 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.188 -6.309 -10.676 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.425 -5.068 -10.641 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 11.848 -7.581 -9.917 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 12.734 -6.275 -9.291 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.443 -6.928 -8.403 1.00 0.29 H new ATOM 1231 N LEU A 107 6.545 -1.550 -6.955 1.00 0.10 N ATOM 1232 CA LEU A 107 5.443 -1.354 -6.025 1.00 0.11 C ATOM 1233 C LEU A 107 4.679 -0.069 -6.330 1.00 0.10 C ATOM 1234 O LEU A 107 3.455 -0.085 -6.416 1.00 0.11 O ATOM 1235 CB LEU A 107 5.982 -1.364 -4.574 1.00 0.13 C ATOM 1236 CG LEU A 107 5.720 -0.111 -3.726 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.289 -0.075 -3.213 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.701 -0.048 -2.570 1.00 0.15 C ATOM 0 H LEU A 107 7.466 -1.542 -6.517 1.00 0.10 H new ATOM 0 HA LEU A 107 4.735 -2.175 -6.140 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.548 -2.220 -4.057 1.00 0.13 H new ATOM 0 HB3 LEU A 107 7.059 -1.528 -4.613 1.00 0.13 H new ATOM 0 HG LEU A 107 5.864 0.762 -4.362 1.00 0.11 H new ATOM 0 HD11 LEU A 107 4.139 0.825 -2.617 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.600 -0.070 -4.057 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.101 -0.954 -2.596 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.506 0.845 -1.975 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.584 -0.933 -1.945 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.719 -0.010 -2.958 1.00 0.15 H new ATOM 1250 N PHE A 108 5.397 1.024 -6.529 1.00 0.10 N ATOM 1251 CA PHE A 108 4.757 2.317 -6.747 1.00 0.11 C ATOM 1252 C PHE A 108 4.034 2.382 -8.088 1.00 0.12 C ATOM 1253 O PHE A 108 3.009 3.049 -8.212 1.00 0.14 O ATOM 1254 CB PHE A 108 5.766 3.458 -6.617 1.00 0.12 C ATOM 1255 CG PHE A 108 6.029 3.852 -5.189 1.00 0.12 C ATOM 1256 CD1 PHE A 108 5.098 3.567 -4.200 1.00 0.15 C ATOM 1257 CD2 PHE A 108 7.188 4.519 -4.836 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.318 3.937 -2.894 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.415 4.891 -3.523 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.477 4.599 -2.551 1.00 0.14 C ATOM 0 H PHE A 108 6.417 1.046 -6.545 1.00 0.10 H new ATOM 0 HA PHE A 108 4.003 2.434 -5.968 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.705 3.160 -7.084 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.398 4.325 -7.165 1.00 0.12 H new ATOM 0 HD1 PHE A 108 4.188 3.047 -4.460 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.923 4.752 -5.593 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.582 3.709 -2.137 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.325 5.409 -3.258 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.652 4.889 -1.525 1.00 0.14 H new ATOM 1270 N SER A 109 4.559 1.685 -9.083 1.00 0.13 N ATOM 1271 CA SER A 109 3.901 1.604 -10.379 1.00 0.14 C ATOM 1272 C SER A 109 2.621 0.777 -10.265 1.00 0.14 C ATOM 1273 O SER A 109 1.667 0.980 -11.016 1.00 0.16 O ATOM 1274 CB SER A 109 4.853 0.992 -11.409 1.00 0.17 C ATOM 1275 OG SER A 109 4.284 0.983 -12.708 1.00 1.14 O ATOM 0 H SER A 109 5.436 1.168 -9.019 1.00 0.13 H new ATOM 0 HA SER A 109 3.633 2.607 -10.710 1.00 0.14 H new ATOM 0 HB2 SER A 109 5.785 1.557 -11.424 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.102 -0.027 -11.114 1.00 0.17 H new ATOM 0 HG SER A 109 4.919 0.587 -13.341 1.00 1.14 H new ATOM 1281 N MET A 110 2.602 -0.146 -9.306 1.00 0.13 N ATOM 1282 CA MET A 110 1.452 -1.020 -9.095 1.00 0.14 C ATOM 1283 C MET A 110 0.203 -0.245 -8.724 1.00 0.14 C ATOM 1284 O MET A 110 -0.840 -0.426 -9.347 1.00 0.16 O ATOM 1285 CB MET A 110 1.725 -2.014 -7.984 1.00 0.13 C ATOM 1286 CG MET A 110 2.662 -3.136 -8.352 1.00 0.17 C ATOM 1287 SD MET A 110 2.538 -4.478 -7.171 1.00 0.23 S ATOM 1288 CE MET A 110 2.365 -3.544 -5.655 1.00 0.14 C ATOM 0 H MET A 110 3.375 -0.308 -8.660 1.00 0.13 H new ATOM 0 HA MET A 110 1.288 -1.536 -10.041 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.141 -1.478 -7.131 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.777 -2.443 -7.659 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.425 -3.501 -9.351 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.687 -2.765 -8.383 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.275 -4.230 -4.813 1.00 0.14 H new ATOM 0 HE2 MET A 110 3.241 -2.911 -5.515 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.473 -2.921 -5.712 1.00 0.14 H new ATOM 1298 N LEU A 111 0.302 0.606 -7.702 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.863 1.347 -7.233 1.00 0.15 C ATOM 1300 C LEU A 111 -1.401 2.174 -8.376 1.00 0.17 C ATOM 1301 O LEU A 111 -2.595 2.243 -8.612 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.542 2.305 -6.072 1.00 0.17 C ATOM 1303 CG LEU A 111 0.344 1.786 -4.936 1.00 0.15 C ATOM 1304 CD1 LEU A 111 0.111 0.305 -4.660 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.806 2.077 -5.228 1.00 0.15 C ATOM 0 H LEU A 111 1.164 0.796 -7.191 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.585 0.613 -6.874 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.063 3.190 -6.492 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.487 2.630 -5.637 1.00 0.17 H new ATOM 0 HG LEU A 111 0.065 2.319 -4.027 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.760 -0.020 -3.847 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -0.930 0.147 -4.378 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.336 -0.272 -5.557 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.422 1.702 -4.411 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.096 1.586 -6.157 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.950 3.153 -5.326 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.478 2.760 -9.108 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.798 3.658 -10.194 1.00 0.22 C ATOM 1319 C LYS A 112 -1.463 2.920 -11.346 1.00 0.21 C ATOM 1320 O LYS A 112 -2.163 3.522 -12.162 1.00 0.24 O ATOM 1321 CB LYS A 112 0.480 4.323 -10.671 1.00 0.29 C ATOM 1322 CG LYS A 112 1.153 5.214 -9.634 1.00 0.36 C ATOM 1323 CD LYS A 112 2.385 5.854 -10.233 1.00 0.47 C ATOM 1324 CE LYS A 112 3.222 6.553 -9.188 1.00 1.22 C ATOM 1325 NZ LYS A 112 4.480 7.094 -9.767 1.00 1.82 N ATOM 0 H LYS A 112 0.523 2.625 -8.964 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.502 4.409 -9.834 1.00 0.22 H new ATOM 0 HB2 LYS A 112 1.184 3.550 -10.979 1.00 0.29 H new ATOM 0 HB3 LYS A 112 0.256 4.921 -11.555 1.00 0.29 H new ATOM 0 HG2 LYS A 112 0.459 5.984 -9.297 1.00 0.36 H new ATOM 0 HG3 LYS A 112 1.427 4.626 -8.758 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.986 5.091 -10.728 1.00 0.47 H new ATOM 0 HD3 LYS A 112 2.086 6.571 -10.998 1.00 0.47 H new ATOM 0 HE2 LYS A 112 2.647 7.365 -8.744 1.00 1.22 H new ATOM 0 HE3 LYS A 112 3.461 5.855 -8.386 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 5.030 7.567 -9.022 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 5.040 6.315 -10.169 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 4.251 7.778 -10.516 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.232 1.617 -11.423 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.860 0.803 -12.443 1.00 0.22 C ATOM 1341 C ASP A 113 -3.180 0.281 -11.916 1.00 0.21 C ATOM 1342 O ASP A 113 -4.066 -0.133 -12.663 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.950 -0.359 -12.785 1.00 0.25 C ATOM 1344 CG ASP A 113 -1.399 -1.097 -14.027 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -1.315 -0.520 -15.129 1.00 0.51 O ATOM 1346 OD2 ASP A 113 -1.823 -2.266 -13.910 1.00 0.46 O ATOM 0 H ASP A 113 -0.615 1.106 -10.791 1.00 0.20 H new ATOM 0 HA ASP A 113 -2.036 1.399 -13.339 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.065 0.009 -12.932 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.919 -1.053 -11.945 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.282 0.327 -10.606 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.477 -0.094 -9.923 1.00 0.17 C ATOM 1353 C GLY A 114 -4.245 -1.352 -9.124 1.00 0.15 C ATOM 1354 O GLY A 114 -4.265 -2.452 -9.672 1.00 0.18 O ATOM 0 H GLY A 114 -2.539 0.657 -9.989 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.817 0.701 -9.260 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.271 -0.265 -10.650 1.00 0.17 H new ATOM 1358 N VAL A 115 -4.009 -1.189 -7.833 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.787 -2.312 -6.952 1.00 0.12 C ATOM 1360 C VAL A 115 -5.025 -2.530 -6.089 1.00 0.12 C ATOM 1361 O VAL A 115 -5.555 -1.595 -5.497 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.521 -2.096 -6.074 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.835 -2.089 -4.595 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.460 -3.127 -6.403 1.00 0.14 C ATOM 0 H VAL A 115 -3.967 -0.279 -7.373 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.612 -3.205 -7.553 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.131 -1.107 -6.313 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.916 -1.935 -4.029 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.536 -1.284 -4.376 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.279 -3.044 -4.313 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.583 -2.959 -5.778 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -1.853 -4.126 -6.215 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.180 -3.039 -7.453 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.513 -3.749 -6.046 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.687 -4.047 -5.256 1.00 0.13 C ATOM 1376 C VAL A 116 -6.292 -4.547 -3.880 1.00 0.10 C ATOM 1377 O VAL A 116 -5.420 -5.405 -3.737 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.613 -5.069 -5.953 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -6.837 -6.293 -6.393 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -8.786 -5.453 -5.052 1.00 0.23 C ATOM 0 H VAL A 116 -5.118 -4.546 -6.545 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.247 -3.118 -5.150 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.022 -4.595 -6.845 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -7.512 -6.996 -6.881 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.055 -5.996 -7.092 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -6.384 -6.769 -5.523 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.421 -6.173 -5.568 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.407 -5.897 -4.131 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.368 -4.563 -4.813 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.915 -3.964 -2.879 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.719 -4.368 -1.505 1.00 0.11 C ATOM 1392 C LEU A 117 -7.692 -5.498 -1.198 1.00 0.12 C ATOM 1393 O LEU A 117 -8.900 -5.314 -1.287 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.919 -3.159 -0.585 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.710 -2.200 -0.473 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -5.022 -1.985 -1.813 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -6.143 -0.861 0.096 1.00 0.24 C ATOM 0 H LEU A 117 -7.574 -3.194 -2.996 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.706 -4.733 -1.339 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.779 -2.592 -0.941 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -7.167 -3.521 0.413 1.00 0.15 H new ATOM 0 HG LEU A 117 -4.994 -2.670 0.201 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -4.180 -1.305 -1.685 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.662 -2.940 -2.195 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.731 -1.555 -2.521 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.280 -0.200 0.167 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -6.891 -0.412 -0.558 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.570 -1.008 1.088 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.139 -6.668 -0.884 1.00 0.14 N ATOM 1410 CA LYS A 118 -7.882 -7.925 -0.751 1.00 0.18 C ATOM 1411 C LYS A 118 -6.904 -9.075 -0.919 1.00 0.22 C ATOM 1412 O LYS A 118 -5.798 -8.880 -1.422 1.00 0.27 O ATOM 1413 CB LYS A 118 -9.006 -8.072 -1.798 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.401 -7.756 -1.261 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.485 -7.984 -2.302 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.464 -6.927 -3.388 1.00 0.39 C ATOM 1417 NZ LYS A 118 -12.345 -7.292 -4.527 1.00 0.80 N ATOM 0 H LYS A 118 -6.139 -6.773 -0.711 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.354 -7.931 0.232 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.794 -7.412 -2.639 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -8.999 -9.092 -2.183 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.602 -8.378 -0.389 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.433 -6.719 -0.927 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.354 -8.968 -2.752 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.460 -7.984 -1.815 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.784 -5.972 -2.972 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.443 -6.793 -3.746 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -12.266 -6.571 -5.272 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -12.056 -8.216 -4.907 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -13.331 -7.345 -4.200 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.296 -10.264 -0.505 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.430 -11.411 -0.670 1.00 0.38 C ATOM 1433 C GLY A 119 -7.200 -12.704 -0.770 1.00 0.53 C ATOM 1434 O GLY A 119 -8.432 -12.699 -0.790 1.00 0.85 O ATOM 0 H GLY A 119 -8.193 -10.458 -0.060 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -5.826 -11.281 -1.568 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -5.740 -11.466 0.172 1.00 0.38 H new ATOM 1519 N THR A 125 -6.495 -7.376 7.907 1.00 0.54 N ATOM 1520 CA THR A 125 -5.225 -7.015 7.310 1.00 0.40 C ATOM 1521 C THR A 125 -5.414 -6.709 5.826 1.00 0.29 C ATOM 1522 O THR A 125 -6.262 -7.311 5.163 1.00 0.34 O ATOM 1523 CB THR A 125 -4.178 -8.136 7.484 1.00 0.39 C ATOM 1524 OG1 THR A 125 -4.060 -8.498 8.868 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.827 -7.686 6.972 1.00 0.37 C ATOM 0 HA THR A 125 -4.856 -6.127 7.823 1.00 0.40 H new ATOM 0 HB THR A 125 -4.511 -9.000 6.909 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.887 -8.263 9.339 1.00 0.51 H new ATOM 0 HG21 THR A 125 -2.102 -8.489 7.103 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.904 -7.436 5.914 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.500 -6.808 7.530 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.625 -5.774 5.313 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.770 -5.316 3.941 1.00 0.15 C ATOM 1535 C ILE A 126 -3.738 -5.988 3.041 1.00 0.14 C ATOM 1536 O ILE A 126 -2.578 -6.118 3.415 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.603 -3.785 3.852 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.217 -3.120 5.097 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.264 -3.267 2.586 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.141 -1.607 5.114 1.00 0.16 C ATOM 0 H ILE A 126 -3.875 -5.317 5.831 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.772 -5.584 3.606 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.542 -3.538 3.815 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.263 -3.418 5.172 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.712 -3.505 5.983 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.143 -2.185 2.529 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.798 -3.731 1.716 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.326 -3.513 2.603 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.598 -1.230 6.029 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.097 -1.295 5.075 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -5.672 -1.206 4.251 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.158 -6.418 1.860 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.261 -7.102 0.933 1.00 0.12 C ATOM 1554 C LEU A 127 -3.304 -6.428 -0.435 1.00 0.11 C ATOM 1555 O LEU A 127 -4.353 -5.965 -0.869 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.631 -8.585 0.831 1.00 0.15 C ATOM 1557 CG LEU A 127 -3.871 -9.273 2.176 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.418 -10.676 1.971 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.583 -9.310 2.974 1.00 0.20 C ATOM 0 H LEU A 127 -5.113 -6.307 1.519 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.241 -7.035 1.312 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.530 -8.681 0.223 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.833 -9.110 0.306 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.613 -8.702 2.735 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.582 -11.148 2.940 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.362 -10.623 1.429 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -3.703 -11.265 1.397 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.762 -9.801 3.930 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -1.826 -9.863 2.418 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.234 -8.292 3.148 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.154 -6.360 -1.088 1.00 0.11 N ATOM 1572 CA ILE A 128 -1.995 -5.592 -2.331 1.00 0.11 C ATOM 1573 C ILE A 128 -1.849 -6.504 -3.560 1.00 0.13 C ATOM 1574 O ILE A 128 -0.885 -7.273 -3.670 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.762 -4.663 -2.232 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.974 -3.595 -1.162 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.450 -4.019 -3.570 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.204 -2.659 -0.998 1.00 0.12 C ATOM 0 H ILE A 128 -1.303 -6.831 -0.780 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.900 -4.997 -2.458 1.00 0.11 H new ATOM 0 HB ILE A 128 0.093 -5.276 -1.945 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.859 -3.011 -1.414 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -1.175 -4.083 -0.208 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.421 -3.372 -3.468 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.242 -4.794 -4.307 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.305 -3.427 -3.897 1.00 0.11 H new ATOM 0 HD11 ILE A 128 -0.018 -1.927 -0.221 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.087 -3.232 -0.715 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.392 -2.143 -1.939 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.784 -6.383 -4.499 1.00 0.15 N ATOM 1591 CA GLU A 129 -2.821 -7.243 -5.673 1.00 0.19 C ATOM 1592 C GLU A 129 -2.936 -6.420 -6.958 1.00 0.17 C ATOM 1593 O GLU A 129 -3.691 -5.452 -7.015 1.00 0.19 O ATOM 1594 CB GLU A 129 -4.030 -8.179 -5.561 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.134 -9.205 -6.676 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.056 -8.812 -7.815 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -6.286 -9.001 -7.692 1.00 0.71 O ATOM 1598 OE2 GLU A 129 -4.557 -8.278 -8.825 1.00 1.62 O ATOM 0 H GLU A 129 -3.532 -5.690 -4.466 1.00 0.15 H new ATOM 0 HA GLU A 129 -1.894 -7.816 -5.717 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.982 -8.702 -4.606 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.940 -7.578 -5.550 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -3.138 -9.386 -7.079 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -4.483 -10.147 -6.253 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.184 -6.808 -7.977 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.381 -6.291 -9.327 1.00 0.21 C ATOM 1607 C LYS A 130 -1.664 -7.205 -10.306 1.00 0.29 C ATOM 1608 O LYS A 130 -0.674 -7.836 -9.943 1.00 0.31 O ATOM 1609 CB LYS A 130 -1.977 -4.796 -9.484 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.491 -4.451 -9.379 1.00 0.19 C ATOM 1611 CD LYS A 130 0.254 -4.695 -10.676 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.169 -3.689 -11.729 1.00 0.25 C ATOM 1613 NZ LYS A 130 0.527 -3.892 -13.029 1.00 0.39 N ATOM 0 H LYS A 130 -1.425 -7.485 -7.895 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.448 -6.296 -9.549 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.334 -4.451 -10.454 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.510 -4.222 -8.726 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.383 -3.405 -9.093 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.038 -5.046 -8.586 1.00 0.19 H new ATOM 0 HD2 LYS A 130 1.328 -4.621 -10.505 1.00 0.25 H new ATOM 0 HD3 LYS A 130 0.057 -5.707 -11.031 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.246 -3.761 -11.883 1.00 0.25 H new ATOM 0 HE3 LYS A 130 0.035 -2.682 -11.366 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 0.447 -3.029 -13.604 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 1.531 -4.101 -12.856 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 0.090 -4.688 -13.536 1.00 0.39 H new ATOM 1627 N ASP A 131 -2.200 -7.295 -11.522 1.00 0.38 N ATOM 1628 CA ASP A 131 -1.752 -8.252 -12.550 1.00 0.49 C ATOM 1629 C ASP A 131 -2.391 -9.615 -12.330 1.00 0.47 C ATOM 1630 O ASP A 131 -2.165 -10.548 -13.099 1.00 0.52 O ATOM 1631 CB ASP A 131 -0.220 -8.405 -12.632 1.00 0.55 C ATOM 1632 CG ASP A 131 0.491 -7.128 -13.023 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -0.007 -6.411 -13.920 1.00 1.03 O ATOM 1634 OD2 ASP A 131 1.556 -6.828 -12.434 1.00 1.13 O ATOM 0 H ASP A 131 -2.969 -6.700 -11.832 1.00 0.38 H new ATOM 0 HA ASP A 131 -2.078 -7.834 -13.503 1.00 0.49 H new ATOM 0 HB2 ASP A 131 0.156 -8.741 -11.666 1.00 0.55 H new ATOM 0 HB3 ASP A 131 0.022 -9.183 -13.356 1.00 0.55 H new ATOM 1639 N GLY A 132 -3.193 -9.729 -11.281 1.00 0.48 N ATOM 1640 CA GLY A 132 -3.910 -10.964 -11.032 1.00 0.51 C ATOM 1641 C GLY A 132 -3.401 -11.709 -9.816 1.00 0.45 C ATOM 1642 O GLY A 132 -4.064 -12.617 -9.313 1.00 0.52 O ATOM 0 H GLY A 132 -3.360 -8.990 -10.598 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -4.969 -10.742 -10.898 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -3.827 -11.609 -11.907 1.00 0.51 H new ATOM 1646 N GLU A 133 -2.228 -11.331 -9.340 1.00 0.47 N ATOM 1647 CA GLU A 133 -1.633 -11.976 -8.181 1.00 0.45 C ATOM 1648 C GLU A 133 -1.255 -10.931 -7.152 1.00 0.33 C ATOM 1649 O GLU A 133 -0.994 -9.775 -7.487 1.00 0.30 O ATOM 1650 CB GLU A 133 -0.395 -12.792 -8.562 1.00 0.54 C ATOM 1651 CG GLU A 133 0.833 -11.940 -8.824 1.00 0.56 C ATOM 1652 CD GLU A 133 1.982 -12.720 -9.430 1.00 0.76 C ATOM 1653 OE1 GLU A 133 1.881 -13.112 -10.610 1.00 1.31 O ATOM 1654 OE2 GLU A 133 3.005 -12.925 -8.738 1.00 1.24 O ATOM 0 H GLU A 133 -1.667 -10.579 -9.739 1.00 0.47 H new ATOM 0 HA GLU A 133 -2.372 -12.660 -7.763 1.00 0.45 H new ATOM 0 HB2 GLU A 133 -0.174 -13.498 -7.761 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -0.617 -13.380 -9.453 1.00 0.54 H new ATOM 0 HG2 GLU A 133 0.564 -11.123 -9.493 1.00 0.56 H new ATOM 0 HG3 GLU A 133 1.162 -11.490 -7.887 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.270 -11.336 -5.903 1.00 0.32 N ATOM 1662 CA VAL A 134 -0.854 -10.468 -4.817 1.00 0.24 C ATOM 1663 C VAL A 134 0.659 -10.494 -4.716 1.00 0.22 C ATOM 1664 O VAL A 134 1.280 -11.555 -4.732 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.486 -10.870 -3.467 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.250 -12.329 -3.195 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -0.958 -10.015 -2.326 1.00 0.21 C ATOM 0 H VAL A 134 -1.567 -12.266 -5.609 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.202 -9.459 -5.039 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.560 -10.696 -3.534 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.701 -12.599 -2.240 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -1.699 -12.925 -3.990 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.178 -12.523 -3.158 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.425 -10.326 -1.392 1.00 0.21 H new ATOM 0 HG22 VAL A 134 0.122 -10.137 -2.250 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.192 -8.968 -2.517 1.00 0.21 H new ATOM 1677 N LYS A 135 1.252 -9.326 -4.661 1.00 0.19 N ATOM 1678 CA LYS A 135 2.695 -9.218 -4.612 1.00 0.21 C ATOM 1679 C LYS A 135 3.124 -8.323 -3.471 1.00 0.17 C ATOM 1680 O LYS A 135 4.315 -8.180 -3.198 1.00 0.18 O ATOM 1681 CB LYS A 135 3.245 -8.682 -5.933 1.00 0.29 C ATOM 1682 CG LYS A 135 2.462 -7.508 -6.491 1.00 0.34 C ATOM 1683 CD LYS A 135 1.381 -7.972 -7.448 1.00 0.29 C ATOM 1684 CE LYS A 135 1.968 -8.412 -8.785 1.00 0.52 C ATOM 1685 NZ LYS A 135 2.476 -7.264 -9.591 1.00 1.03 N ATOM 0 H LYS A 135 0.759 -8.433 -4.649 1.00 0.19 H new ATOM 0 HA LYS A 135 3.101 -10.216 -4.447 1.00 0.21 H new ATOM 0 HB2 LYS A 135 4.282 -8.379 -5.788 1.00 0.29 H new ATOM 0 HB3 LYS A 135 3.248 -9.487 -6.668 1.00 0.29 H new ATOM 0 HG2 LYS A 135 2.010 -6.948 -5.673 1.00 0.34 H new ATOM 0 HG3 LYS A 135 3.140 -6.828 -7.007 1.00 0.34 H new ATOM 0 HD2 LYS A 135 0.830 -8.800 -7.002 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.667 -7.165 -7.611 1.00 0.29 H new ATOM 0 HE2 LYS A 135 2.782 -9.115 -8.607 1.00 0.52 H new ATOM 0 HE3 LYS A 135 1.206 -8.943 -9.355 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 1.978 -7.233 -10.503 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 2.309 -6.377 -9.075 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 3.496 -7.381 -9.757 1.00 1.03 H new ATOM 1699 N LEU A 136 2.150 -7.739 -2.798 1.00 0.14 N ATOM 1700 CA LEU A 136 2.418 -6.833 -1.709 1.00 0.14 C ATOM 1701 C LEU A 136 1.318 -6.953 -0.660 1.00 0.14 C ATOM 1702 O LEU A 136 0.242 -7.458 -0.949 1.00 0.14 O ATOM 1703 CB LEU A 136 2.471 -5.415 -2.256 1.00 0.14 C ATOM 1704 CG LEU A 136 3.583 -4.531 -1.715 1.00 0.13 C ATOM 1705 CD1 LEU A 136 4.953 -5.183 -1.883 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.534 -3.194 -2.424 1.00 0.14 C ATOM 0 H LEU A 136 1.159 -7.881 -2.993 1.00 0.14 H new ATOM 0 HA LEU A 136 3.372 -7.079 -1.242 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.572 -5.469 -3.340 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.516 -4.931 -2.049 1.00 0.14 H new ATOM 0 HG LEU A 136 3.430 -4.387 -0.645 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.722 -4.521 -1.485 1.00 0.16 H new ATOM 0 HD12 LEU A 136 4.974 -6.130 -1.343 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.142 -5.364 -2.941 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.328 -2.551 -2.044 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.671 -3.345 -3.495 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.568 -2.722 -2.245 1.00 0.14 H new ATOM 1718 N LYS A 137 1.599 -6.536 0.562 1.00 0.17 N ATOM 1719 CA LYS A 137 0.592 -6.506 1.615 1.00 0.20 C ATOM 1720 C LYS A 137 0.821 -5.307 2.515 1.00 0.18 C ATOM 1721 O LYS A 137 1.904 -4.728 2.524 1.00 0.22 O ATOM 1722 CB LYS A 137 0.640 -7.765 2.494 1.00 0.31 C ATOM 1723 CG LYS A 137 0.997 -9.042 1.762 1.00 0.35 C ATOM 1724 CD LYS A 137 0.709 -10.269 2.603 1.00 0.28 C ATOM 1725 CE LYS A 137 1.534 -10.270 3.882 1.00 0.31 C ATOM 1726 NZ LYS A 137 2.249 -11.560 4.080 1.00 0.76 N ATOM 0 H LYS A 137 2.521 -6.211 0.853 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.379 -6.451 1.122 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.366 -7.606 3.292 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.332 -7.896 2.969 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.432 -9.098 0.831 1.00 0.35 H new ATOM 0 HG3 LYS A 137 2.053 -9.024 1.494 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.352 -10.301 2.852 1.00 0.28 H new ATOM 0 HD3 LYS A 137 0.928 -11.167 2.026 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.257 -9.455 3.848 1.00 0.31 H new ATOM 0 HE3 LYS A 137 0.882 -10.082 4.735 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 2.799 -11.520 4.962 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 1.558 -12.335 4.138 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 2.891 -11.728 3.279 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.204 -4.933 3.252 1.00 0.18 N ATOM 1741 CA LEU A 138 -0.050 -4.018 4.362 1.00 0.20 C ATOM 1742 C LEU A 138 -0.163 -4.833 5.633 1.00 0.21 C ATOM 1743 O LEU A 138 -1.233 -5.353 5.939 1.00 0.22 O ATOM 1744 CB LEU A 138 -1.099 -2.890 4.351 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.108 -1.953 3.126 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.300 -1.515 2.726 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.823 -2.602 1.955 1.00 0.17 C ATOM 0 H LEU A 138 -1.161 -5.252 3.100 1.00 0.18 H new ATOM 0 HA LEU A 138 0.919 -3.525 4.289 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -2.086 -3.345 4.437 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -0.950 -2.281 5.242 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.655 -1.055 3.413 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.244 -0.857 1.859 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.765 -0.983 3.556 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.897 -2.392 2.477 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.817 -1.922 1.103 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.314 -3.527 1.685 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -2.853 -2.823 2.235 1.00 0.17 H new ATOM 1759 N ILE A 139 0.962 -4.959 6.338 1.00 0.27 N ATOM 1760 CA ILE A 139 1.090 -5.772 7.543 1.00 0.30 C ATOM 1761 C ILE A 139 1.265 -7.254 7.206 1.00 0.37 C ATOM 1762 O ILE A 139 0.684 -7.770 6.246 1.00 0.42 O ATOM 1763 CB ILE A 139 -0.105 -5.661 8.500 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.597 -4.228 8.674 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.301 -6.227 9.833 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.004 -4.176 9.196 1.00 0.41 C ATOM 0 H ILE A 139 1.828 -4.487 6.079 1.00 0.27 H new ATOM 0 HA ILE A 139 1.974 -5.373 8.040 1.00 0.30 H new ATOM 0 HB ILE A 139 -0.934 -6.222 8.069 1.00 0.27 H new ATOM 0 HG12 ILE A 139 0.064 -3.698 9.360 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.546 -3.708 7.717 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.536 -6.157 10.528 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.587 -7.272 9.713 1.00 0.35 H new ATOM 0 HG23 ILE A 139 1.147 -5.663 10.226 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.314 -3.137 9.305 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.670 -4.682 8.497 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -2.051 -4.672 10.166 1.00 0.41 H new ATOM 1847 N GLU B 554 -15.300 -7.203 2.742 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.668 -8.340 2.087 1.00 0.33 C ATOM 1849 C GLU B 554 -13.495 -8.840 2.936 1.00 0.35 C ATOM 1850 O GLU B 554 -13.264 -8.309 4.022 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.214 -7.915 0.686 1.00 0.32 C ATOM 1852 CG GLU B 554 -13.936 -9.056 -0.273 1.00 0.29 C ATOM 1853 CD GLU B 554 -14.986 -10.144 -0.225 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -14.854 -11.057 0.612 1.00 0.63 O ATOM 1855 OE2 GLU B 554 -15.939 -10.095 -1.027 1.00 0.65 O ATOM 0 HA GLU B 554 -15.375 -9.163 1.986 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -14.981 -7.274 0.251 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -13.311 -7.312 0.781 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -13.876 -8.663 -1.288 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -12.963 -9.489 -0.041 1.00 0.29 H new ATOM 1862 N THR B 555 -12.785 -9.856 2.448 1.00 0.33 N ATOM 1863 CA THR B 555 -11.593 -10.402 3.100 1.00 0.35 C ATOM 1864 C THR B 555 -10.652 -9.273 3.534 1.00 0.34 C ATOM 1865 O THR B 555 -10.010 -9.335 4.580 1.00 0.45 O ATOM 1866 CB THR B 555 -10.894 -11.384 2.129 1.00 0.36 C ATOM 1867 OG1 THR B 555 -9.809 -12.061 2.770 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.395 -10.659 0.885 1.00 0.30 C ATOM 0 H THR B 555 -13.024 -10.330 1.577 1.00 0.33 H new ATOM 0 HA THR B 555 -11.880 -10.944 4.001 1.00 0.35 H new ATOM 0 HB THR B 555 -11.633 -12.126 1.827 1.00 0.36 H new ATOM 0 HG1 THR B 555 -9.386 -12.676 2.135 1.00 0.45 H new ATOM 0 HG21 THR B 555 -9.908 -11.372 0.219 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.238 -10.199 0.370 1.00 0.30 H new ATOM 0 HG23 THR B 555 -9.682 -9.887 1.175 1.00 0.30 H new ATOM 1876 N THR B 556 -10.610 -8.237 2.719 1.00 0.26 N ATOM 1877 CA THR B 556 -9.951 -6.997 3.063 1.00 0.23 C ATOM 1878 C THR B 556 -10.802 -5.860 2.550 1.00 0.21 C ATOM 1879 O THR B 556 -11.197 -4.958 3.290 1.00 0.22 O ATOM 1880 CB THR B 556 -8.566 -6.878 2.408 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.699 -7.915 2.861 1.00 0.24 O ATOM 1882 CG2 THR B 556 -7.957 -5.525 2.709 1.00 0.20 C ATOM 0 H THR B 556 -11.036 -8.235 1.792 1.00 0.26 H new ATOM 0 HA THR B 556 -9.824 -6.968 4.145 1.00 0.23 H new ATOM 0 HB THR B 556 -8.691 -6.980 1.330 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.233 -7.621 3.671 1.00 0.24 H new ATOM 0 HG21 THR B 556 -6.976 -5.455 2.239 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.604 -4.740 2.318 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.852 -5.405 3.787 1.00 0.20 H new ATOM 1890 N LEU B 557 -11.094 -5.959 1.260 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.875 -4.982 0.539 1.00 0.19 C ATOM 1892 C LEU B 557 -11.098 -3.691 0.382 1.00 0.17 C ATOM 1893 O LEU B 557 -9.877 -3.710 0.412 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.211 -4.725 1.220 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.384 -4.630 0.264 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.155 -3.369 0.569 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -13.908 -4.678 -1.190 1.00 0.20 C ATOM 0 H LEU B 557 -10.785 -6.739 0.680 1.00 0.20 H new ATOM 0 HA LEU B 557 -12.081 -5.387 -0.452 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.402 -5.525 1.935 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -13.144 -3.798 1.790 1.00 0.21 H new ATOM 0 HG LEU B 557 -15.046 -5.485 0.399 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -16.003 -3.287 -0.112 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.517 -3.403 1.597 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.503 -2.504 0.442 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.767 -4.608 -1.857 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.233 -3.843 -1.380 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.384 -5.617 -1.371 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.835 -2.586 0.250 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.282 -1.262 -0.037 1.00 0.18 C ATOM 1911 C LEU B 558 -11.244 -1.053 -1.538 1.00 0.19 C ATOM 1912 O LEU B 558 -10.195 -0.837 -2.138 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.902 -1.031 0.610 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.897 -0.806 2.132 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.809 -1.779 2.846 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.490 -0.941 2.679 1.00 0.16 C ATOM 0 H LEU B 558 -12.851 -2.587 0.341 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.937 -0.517 0.415 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.271 -1.892 0.388 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.440 -0.166 0.134 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.267 0.203 2.312 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.777 -1.587 3.919 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.830 -1.653 2.485 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.478 -2.799 2.650 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.502 -0.779 3.757 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -8.111 -1.941 2.466 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.844 -0.200 2.208 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.430 -1.149 -2.124 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.633 -0.908 -3.547 1.00 0.21 C ATOM 1930 C GLU B 559 -13.418 0.377 -3.729 1.00 0.24 C ATOM 1931 O GLU B 559 -13.616 0.870 -4.838 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.385 -2.070 -4.184 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.584 -3.350 -4.268 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.346 -4.454 -4.967 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.471 -4.776 -4.534 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -12.819 -5.015 -5.953 1.00 0.38 O ATOM 0 H GLU B 559 -13.283 -1.398 -1.623 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.662 -0.818 -4.035 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.293 -2.259 -3.612 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.695 -1.781 -5.188 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.652 -3.160 -4.801 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -12.316 -3.676 -3.263 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.867 0.893 -2.607 1.00 0.25 N ATOM 1944 CA ASP B 560 -14.563 2.162 -2.544 1.00 0.31 C ATOM 1945 C ASP B 560 -13.842 3.009 -1.527 1.00 0.25 C ATOM 1946 O ASP B 560 -13.273 2.454 -0.592 1.00 0.26 O ATOM 1947 CB ASP B 560 -16.015 2.004 -2.077 1.00 0.45 C ATOM 1948 CG ASP B 560 -16.705 0.765 -2.609 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -16.578 -0.310 -1.985 1.00 0.95 O ATOM 1950 OD2 ASP B 560 -17.354 0.859 -3.674 1.00 0.90 O ATOM 0 H ASP B 560 -13.759 0.439 -1.700 1.00 0.25 H new ATOM 0 HA ASP B 560 -14.576 2.606 -3.540 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -16.034 1.978 -0.987 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -16.582 2.883 -2.385 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.858 4.320 -1.671 1.00 0.26 N ATOM 1956 CA GLU B 561 -13.239 5.169 -0.674 1.00 0.26 C ATOM 1957 C GLU B 561 -13.947 4.970 0.658 1.00 0.26 C ATOM 1958 O GLU B 561 -13.312 4.799 1.696 1.00 0.29 O ATOM 1959 CB GLU B 561 -13.294 6.635 -1.090 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.549 7.548 -0.136 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.709 9.013 -0.486 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -13.703 9.632 -0.051 1.00 0.68 O ATOM 1963 OE2 GLU B 561 -11.833 9.560 -1.186 1.00 0.69 O ATOM 0 H GLU B 561 -14.285 4.813 -2.455 1.00 0.26 H new ATOM 0 HA GLU B 561 -12.189 4.893 -0.577 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.872 6.740 -2.089 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -14.335 6.952 -1.149 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -12.910 7.379 0.879 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.490 7.290 -0.145 1.00 0.35 H new ATOM 1970 N LYS B 562 -15.271 4.948 0.604 1.00 0.30 N ATOM 1971 CA LYS B 562 -16.092 4.722 1.778 1.00 0.39 C ATOM 1972 C LYS B 562 -15.701 3.440 2.494 1.00 0.34 C ATOM 1973 O LYS B 562 -15.467 3.445 3.695 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.554 4.626 1.357 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.506 4.268 2.489 1.00 0.74 C ATOM 1976 CD LYS B 562 -18.468 5.286 3.618 1.00 1.73 C ATOM 1977 CE LYS B 562 -19.217 4.781 4.841 1.00 2.39 C ATOM 1978 NZ LYS B 562 -20.625 4.426 4.525 1.00 3.03 N ATOM 0 H LYS B 562 -15.803 5.086 -0.255 1.00 0.30 H new ATOM 0 HA LYS B 562 -15.941 5.557 2.462 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.860 5.580 0.927 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.646 3.878 0.570 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -19.521 4.199 2.099 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -18.248 3.284 2.881 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -17.433 5.498 3.885 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -18.909 6.224 3.280 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -18.705 3.908 5.245 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -19.202 5.546 5.617 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -21.145 4.250 5.408 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -21.073 5.210 4.010 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -20.643 3.569 3.936 1.00 3.03 H new ATOM 1992 N SER B 563 -15.569 2.362 1.741 1.00 0.27 N ATOM 1993 CA SER B 563 -15.270 1.059 2.317 1.00 0.24 C ATOM 1994 C SER B 563 -13.804 0.967 2.700 1.00 0.21 C ATOM 1995 O SER B 563 -13.406 0.120 3.494 1.00 0.20 O ATOM 1996 CB SER B 563 -15.621 -0.043 1.322 1.00 0.27 C ATOM 1997 OG SER B 563 -16.914 0.151 0.773 1.00 0.91 O ATOM 0 H SER B 563 -15.664 2.362 0.725 1.00 0.27 H new ATOM 0 HA SER B 563 -15.870 0.932 3.218 1.00 0.24 H new ATOM 0 HB2 SER B 563 -14.882 -0.061 0.521 1.00 0.27 H new ATOM 0 HB3 SER B 563 -15.576 -1.012 1.819 1.00 0.27 H new ATOM 0 HG SER B 563 -16.889 -0.022 -0.191 1.00 0.91 H new ATOM 2003 N LEU B 564 -13.016 1.858 2.131 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.591 1.863 2.334 1.00 0.19 C ATOM 2005 C LEU B 564 -11.314 2.501 3.675 1.00 0.21 C ATOM 2006 O LEU B 564 -10.625 1.945 4.525 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.918 2.669 1.228 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.463 2.306 0.913 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.936 3.220 -0.164 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.559 2.413 2.123 1.00 0.18 C ATOM 0 H LEU B 564 -13.352 2.598 1.515 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.199 0.846 2.311 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.504 2.555 0.316 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -10.956 3.723 1.501 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.460 1.267 0.583 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.901 2.961 -0.387 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.540 3.108 -1.064 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.985 4.253 0.180 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.541 2.144 1.841 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.574 3.436 2.499 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -8.911 1.736 2.901 1.00 0.18 H new ATOM 2022 N VAL B 565 -11.905 3.666 3.870 1.00 0.23 N ATOM 2023 CA VAL B 565 -11.719 4.409 5.096 1.00 0.26 C ATOM 2024 C VAL B 565 -12.521 3.806 6.226 1.00 0.28 C ATOM 2025 O VAL B 565 -12.075 3.823 7.353 1.00 0.32 O ATOM 2026 CB VAL B 565 -12.078 5.890 4.913 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.565 6.341 3.574 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.574 6.135 5.019 1.00 0.30 C ATOM 0 H VAL B 565 -12.519 4.116 3.191 1.00 0.23 H new ATOM 0 HA VAL B 565 -10.662 4.348 5.356 1.00 0.26 H new ATOM 0 HB VAL B 565 -11.611 6.464 5.713 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -11.811 7.392 3.425 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.483 6.213 3.537 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -12.028 5.745 2.787 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -13.779 7.197 4.883 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -14.092 5.564 4.249 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -13.925 5.821 6.002 1.00 0.30 H new ATOM 2038 N SER B 566 -13.684 3.235 5.912 1.00 0.28 N ATOM 2039 CA SER B 566 -14.482 2.523 6.908 1.00 0.30 C ATOM 2040 C SER B 566 -13.677 1.378 7.499 1.00 0.30 C ATOM 2041 O SER B 566 -13.951 0.889 8.594 1.00 0.35 O ATOM 2042 CB SER B 566 -15.748 1.975 6.262 1.00 0.31 C ATOM 2043 OG SER B 566 -16.654 3.020 5.955 1.00 0.75 O ATOM 0 H SER B 566 -14.093 3.252 4.978 1.00 0.28 H new ATOM 0 HA SER B 566 -14.754 3.218 7.703 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.491 1.433 5.352 1.00 0.31 H new ATOM 0 HB3 SER B 566 -16.224 1.262 6.935 1.00 0.31 H new ATOM 0 HG SER B 566 -16.321 3.526 5.185 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.667 0.987 6.758 1.00 0.26 N ATOM 2050 CA TYR B 567 -11.807 -0.108 7.127 1.00 0.25 C ATOM 2051 C TYR B 567 -10.514 0.419 7.718 1.00 0.26 C ATOM 2052 O TYR B 567 -9.864 -0.264 8.486 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.535 -0.938 5.886 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.666 -2.144 6.103 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -11.210 -3.344 6.543 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.300 -2.071 5.897 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.401 -4.441 6.771 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.486 -3.160 6.118 1.00 0.25 C ATOM 2059 CZ TYR B 567 -9.085 -4.396 6.448 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.225 -5.427 6.780 1.00 0.29 O ATOM 0 H TYR B 567 -12.418 1.427 5.872 1.00 0.26 H new ATOM 0 HA TYR B 567 -12.288 -0.728 7.883 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.488 -1.266 5.471 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -11.064 -0.300 5.137 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.275 -3.420 6.708 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.864 -1.143 5.557 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -10.818 -5.336 7.208 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.412 -3.071 6.041 1.00 0.25 H new ATOM 0 HH TYR B 567 -8.105 -5.452 7.752 1.00 0.29 H new ATOM 2070 N LEU B 568 -10.125 1.616 7.307 1.00 0.26 N ATOM 2071 CA LEU B 568 -8.922 2.260 7.813 1.00 0.29 C ATOM 2072 C LEU B 568 -9.156 3.020 9.115 1.00 0.35 C ATOM 2073 O LEU B 568 -8.320 2.986 10.013 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.425 3.230 6.773 1.00 0.28 C ATOM 2075 CG LEU B 568 -7.271 2.754 5.916 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.465 1.313 5.471 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -7.184 3.667 4.726 1.00 0.26 C ATOM 0 H LEU B 568 -10.633 2.167 6.615 1.00 0.26 H new ATOM 0 HA LEU B 568 -8.193 1.476 8.020 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -9.257 3.486 6.117 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -8.122 4.148 7.277 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.346 2.782 6.493 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.618 1.004 4.858 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.533 0.668 6.347 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.383 1.232 4.889 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.360 3.352 4.085 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -8.118 3.623 4.165 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -7.011 4.689 5.063 1.00 0.26 H new ATOM 2089 N ASN B 569 -10.285 3.711 9.212 1.00 0.38 N ATOM 2090 CA ASN B 569 -10.546 4.597 10.353 1.00 0.46 C ATOM 2091 C ASN B 569 -10.863 3.807 11.619 1.00 0.50 C ATOM 2092 O ASN B 569 -11.097 4.389 12.677 1.00 0.74 O ATOM 2093 CB ASN B 569 -11.703 5.562 10.061 1.00 0.52 C ATOM 2094 CG ASN B 569 -13.077 4.927 10.239 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -13.942 5.479 10.920 1.00 0.68 O ATOM 2096 ND2 ASN B 569 -13.310 3.796 9.592 1.00 0.44 N ATOM 0 H ASN B 569 -11.035 3.679 8.521 1.00 0.38 H new ATOM 0 HA ASN B 569 -9.633 5.171 10.513 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -11.622 6.426 10.720 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -11.610 5.931 9.039 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -14.228 3.356 9.649 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -12.571 3.365 9.036 1.00 0.44 H new ATOM 2103 N TYR B 570 -10.874 2.490 11.494 1.00 0.50 N ATOM 2104 CA TYR B 570 -11.202 1.607 12.601 1.00 0.59 C ATOM 2105 C TYR B 570 -10.246 1.831 13.780 1.00 0.90 C ATOM 2106 O TYR B 570 -10.728 2.173 14.877 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.200 0.138 12.131 1.00 0.39 C ATOM 2108 CG TYR B 570 -9.830 -0.472 11.899 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -8.936 0.071 10.983 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.436 -1.605 12.599 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -7.696 -0.495 10.773 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -8.199 -2.177 12.395 1.00 0.87 C ATOM 2113 CZ TYR B 570 -7.332 -1.622 11.482 1.00 0.79 C ATOM 2114 OH TYR B 570 -6.099 -2.200 11.273 1.00 1.04 O ATOM 2115 OXT TYR B 570 -9.013 1.727 13.593 1.00 1.66 O ATOM 0 H TYR B 570 -10.656 2.004 10.624 1.00 0.50 H new ATOM 0 HA TYR B 570 -12.206 1.842 12.953 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.725 -0.463 12.873 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.770 0.070 11.204 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.218 0.952 10.426 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -10.112 -2.046 13.317 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -7.014 -0.059 10.058 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.911 -3.058 12.950 1.00 0.87 H new ATOM 0 HH TYR B 570 -6.003 -2.984 11.853 1.00 1.04 H new