USER MOD reduce.3.24.130724 H: found=0, std=0, add=954, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 86 ASN : amide:sc= 0.531 K(o=1.2,f=-4.6!) USER MOD Set 1.2: A 112 LYS NZ :NH3+ 171:sc= 0.71 (180deg=0) USER MOD Set 2.1: A 57 ASN : amide:sc= 0.923 K(o=1.9,f=-4.7!) USER MOD Set 2.2: A 64 ASN : amide:sc= 1 K(o=1.9,f=-0.023) USER MOD Set 3.1: A 55 SER OG : rot -62:sc= 1.74 USER MOD Set 3.2: A 66 TYR OH : rot 37:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HE2:sc= 0.0555 K(o=0.056,f=-3.6!) USER MOD Single : A 42 SER OG : rot 146:sc= 0.839 USER MOD Single : A 43 LYS NZ :NH3+ 167:sc= -0.0321 (180deg=-0.218) USER MOD Single : A 45 TYR OH : rot 70:sc= -0.116 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.58) USER MOD Single : A 61 LYS NZ :NH3+ 174:sc= 1.08 (180deg=1.01) USER MOD Single : A 62 SER OG : rot 38:sc= 0.992 USER MOD Single : A 67 SER OG : rot 180:sc= -2.92! USER MOD Single : A 68 LYS NZ :NH3+ 166:sc= -0.0518 (180deg=-0.297) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 1:sc= 0.704 USER MOD Single : A 77 SER OG : rot 180:sc=-0.00781 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 82 LYS NZ :NH3+ 152:sc= 0.734 (180deg=-0.00771) USER MOD Single : A 84 MET CE :methyl 159:sc= -0.0221 (180deg=-1.56) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0136) USER MOD Single : A 97 MET CE :methyl 175:sc= -0.585 (180deg=-0.653) USER MOD Single : A 100 GLN : amide:sc= -7.37! C(o=-7.4!,f=-8.7!) USER MOD Single : A 101 LYS NZ :NH3+ -130:sc= 1.24 (180deg=0.749) USER MOD Single : A 106 LYS NZ :NH3+ 152:sc= 1.29 (180deg=1.25) USER MOD Single : A 109 SER OG : rot -83:sc= 1.01 USER MOD Single : A 110 MET CE :methyl -170:sc= -7.79! (180deg=-7.81!) USER MOD Single : A 118 LYS NZ :NH3+ 179:sc= 0.59 (180deg=0.576) USER MOD Single : A 125 THR OG1 : rot 19:sc= 0.137 USER MOD Single : A 130 LYS NZ :NH3+ 164:sc= 2 (180deg=0.933!) USER MOD Single : A 135 LYS NZ :NH3+ 172:sc= 2.33 (180deg=1.98) USER MOD Single : A 137 LYS NZ :NH3+ 176:sc= -1.73! (180deg=-1.74!) USER MOD Single : B 555 THR OG1 : rot 180:sc= 0 USER MOD Single : B 556 THR OG1 : rot -92:sc= 1.17 USER MOD Single : B 562 LYS NZ :NH3+ -159:sc= -0.177 (180deg=-0.685) USER MOD Single : B 563 SER OG : rot 180:sc= 0.0172 USER MOD Single : B 566 SER OG : rot 77:sc= 1.27 USER MOD Single : B 567 TYR OH : rot 180:sc= 0 USER MOD Single : B 569 ASN : amide:sc= -1.47 X(o=-1.5,f=-1) USER MOD Single : B 570 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 76 N LYS A 34 -1.417 6.532 10.721 1.00 0.62 N ATOM 77 CA LYS A 34 -1.338 5.140 11.035 1.00 0.54 C ATOM 78 C LYS A 34 -0.230 4.479 10.217 1.00 0.43 C ATOM 79 O LYS A 34 -0.007 4.820 9.055 1.00 0.53 O ATOM 80 CB LYS A 34 -2.698 4.529 10.719 1.00 0.66 C ATOM 81 CG LYS A 34 -3.485 4.106 11.947 1.00 0.83 C ATOM 82 CD LYS A 34 -4.230 5.264 12.584 1.00 0.84 C ATOM 83 CE LYS A 34 -4.999 4.803 13.811 1.00 0.90 C ATOM 84 NZ LYS A 34 -5.697 5.927 14.493 1.00 1.23 N ATOM 0 HA LYS A 34 -1.095 4.987 12.086 1.00 0.54 H new ATOM 0 HB2 LYS A 34 -3.287 5.251 10.154 1.00 0.66 H new ATOM 0 HB3 LYS A 34 -2.554 3.661 10.075 1.00 0.66 H new ATOM 0 HG2 LYS A 34 -4.197 3.329 11.669 1.00 0.83 H new ATOM 0 HG3 LYS A 34 -2.805 3.669 12.678 1.00 0.83 H new ATOM 0 HD2 LYS A 34 -3.524 6.046 12.864 1.00 0.84 H new ATOM 0 HD3 LYS A 34 -4.919 5.701 11.861 1.00 0.84 H new ATOM 0 HE2 LYS A 34 -5.729 4.049 13.518 1.00 0.90 H new ATOM 0 HE3 LYS A 34 -4.312 4.327 14.510 1.00 0.90 H new ATOM 0 HZ1 LYS A 34 -6.208 5.565 15.324 1.00 1.23 H new ATOM 0 HZ2 LYS A 34 -4.999 6.636 14.797 1.00 1.23 H new ATOM 0 HZ3 LYS A 34 -6.372 6.366 13.835 1.00 1.23 H new ATOM 98 N GLU A 35 0.469 3.554 10.839 1.00 0.43 N ATOM 99 CA GLU A 35 1.623 2.915 10.217 1.00 0.48 C ATOM 100 C GLU A 35 1.261 1.575 9.586 1.00 0.40 C ATOM 101 O GLU A 35 0.995 0.598 10.287 1.00 0.55 O ATOM 102 CB GLU A 35 2.715 2.704 11.258 1.00 0.75 C ATOM 103 CG GLU A 35 3.027 3.948 12.060 1.00 1.06 C ATOM 104 CD GLU A 35 3.038 3.673 13.544 1.00 1.35 C ATOM 105 OE1 GLU A 35 4.058 3.166 14.053 1.00 1.83 O ATOM 106 OE2 GLU A 35 2.019 3.951 14.210 1.00 1.86 O ATOM 0 H GLU A 35 0.261 3.222 11.781 1.00 0.43 H new ATOM 0 HA GLU A 35 1.978 3.574 9.425 1.00 0.48 H new ATOM 0 HB2 GLU A 35 2.410 1.909 11.938 1.00 0.75 H new ATOM 0 HB3 GLU A 35 3.623 2.365 10.758 1.00 0.75 H new ATOM 0 HG2 GLU A 35 3.997 4.342 11.757 1.00 1.06 H new ATOM 0 HG3 GLU A 35 2.287 4.717 11.839 1.00 1.06 H new ATOM 113 N TRP A 36 1.251 1.535 8.264 1.00 0.28 N ATOM 114 CA TRP A 36 1.079 0.286 7.537 1.00 0.25 C ATOM 115 C TRP A 36 2.436 -0.230 7.061 1.00 0.26 C ATOM 116 O TRP A 36 3.068 0.372 6.195 1.00 0.40 O ATOM 117 CB TRP A 36 0.147 0.475 6.333 1.00 0.26 C ATOM 118 CG TRP A 36 -1.306 0.608 6.688 1.00 0.19 C ATOM 119 CD1 TRP A 36 -2.216 -0.402 6.773 1.00 0.56 C ATOM 120 CD2 TRP A 36 -2.021 1.815 6.990 1.00 0.54 C ATOM 121 NE1 TRP A 36 -3.449 0.100 7.108 1.00 0.47 N ATOM 122 CE2 TRP A 36 -3.356 1.455 7.250 1.00 0.27 C ATOM 123 CE3 TRP A 36 -1.668 3.161 7.069 1.00 1.19 C ATOM 124 CZ2 TRP A 36 -4.335 2.391 7.577 1.00 0.56 C ATOM 125 CZ3 TRP A 36 -2.640 4.089 7.394 1.00 1.51 C ATOM 126 CH2 TRP A 36 -3.959 3.701 7.646 1.00 1.19 C ATOM 0 H TRP A 36 1.360 2.356 7.669 1.00 0.28 H new ATOM 0 HA TRP A 36 0.628 -0.442 8.212 1.00 0.25 H new ATOM 0 HB2 TRP A 36 0.457 1.365 5.785 1.00 0.26 H new ATOM 0 HB3 TRP A 36 0.268 -0.373 5.659 1.00 0.26 H new ATOM 0 HD1 TRP A 36 -1.999 -1.446 6.602 1.00 0.56 H new ATOM 0 HE1 TRP A 36 -4.299 -0.451 7.231 1.00 0.47 H new ATOM 0 HE3 TRP A 36 -0.652 3.474 6.879 1.00 1.19 H new ATOM 0 HZ2 TRP A 36 -5.354 2.091 7.769 1.00 0.56 H new ATOM 0 HZ3 TRP A 36 -2.375 5.134 7.454 1.00 1.51 H new ATOM 0 HH2 TRP A 36 -4.693 4.451 7.900 1.00 1.19 H new ATOM 137 N HIS A 37 2.896 -1.329 7.648 1.00 0.25 N ATOM 138 CA HIS A 37 4.162 -1.939 7.239 1.00 0.25 C ATOM 139 C HIS A 37 3.971 -2.743 5.962 1.00 0.24 C ATOM 140 O HIS A 37 3.266 -3.749 5.961 1.00 0.30 O ATOM 141 CB HIS A 37 4.712 -2.850 8.343 1.00 0.29 C ATOM 142 CG HIS A 37 5.210 -2.117 9.550 1.00 0.34 C ATOM 143 ND1 HIS A 37 6.506 -1.665 9.679 1.00 0.61 N ATOM 144 CD2 HIS A 37 4.578 -1.768 10.695 1.00 0.68 C ATOM 145 CE1 HIS A 37 6.648 -1.074 10.850 1.00 0.51 C ATOM 146 NE2 HIS A 37 5.494 -1.119 11.484 1.00 0.56 N ATOM 0 H HIS A 37 2.416 -1.816 8.405 1.00 0.25 H new ATOM 0 HA HIS A 37 4.879 -1.138 7.058 1.00 0.25 H new ATOM 0 HB2 HIS A 37 3.929 -3.544 8.650 1.00 0.29 H new ATOM 0 HB3 HIS A 37 5.526 -3.448 7.933 1.00 0.29 H new ATOM 0 HD1 HIS A 37 7.240 -1.771 8.979 1.00 0.61 H new ATOM 0 HD2 HIS A 37 3.545 -1.964 10.942 1.00 0.68 H new ATOM 0 HE1 HIS A 37 7.557 -0.628 11.226 1.00 0.51 H new ATOM 155 N ILE A 38 4.592 -2.309 4.876 1.00 0.20 N ATOM 156 CA ILE A 38 4.397 -2.965 3.591 1.00 0.20 C ATOM 157 C ILE A 38 5.176 -4.272 3.515 1.00 0.21 C ATOM 158 O ILE A 38 6.308 -4.378 4.000 1.00 0.27 O ATOM 159 CB ILE A 38 4.782 -2.050 2.415 1.00 0.20 C ATOM 160 CG1 ILE A 38 4.114 -0.688 2.585 1.00 0.21 C ATOM 161 CG2 ILE A 38 4.357 -2.677 1.097 1.00 0.21 C ATOM 162 CD1 ILE A 38 4.523 0.328 1.544 1.00 0.20 C ATOM 0 H ILE A 38 5.230 -1.513 4.857 1.00 0.20 H new ATOM 0 HA ILE A 38 3.333 -3.187 3.510 1.00 0.20 H new ATOM 0 HB ILE A 38 5.864 -1.922 2.405 1.00 0.20 H new ATOM 0 HG12 ILE A 38 3.032 -0.817 2.547 1.00 0.21 H new ATOM 0 HG13 ILE A 38 4.354 -0.297 3.574 1.00 0.21 H new ATOM 0 HG21 ILE A 38 4.636 -2.019 0.274 1.00 0.21 H new ATOM 0 HG22 ILE A 38 4.853 -3.640 0.975 1.00 0.21 H new ATOM 0 HG23 ILE A 38 3.277 -2.823 1.095 1.00 0.21 H new ATOM 0 HD11 ILE A 38 4.007 1.269 1.732 1.00 0.20 H new ATOM 0 HD12 ILE A 38 5.600 0.488 1.595 1.00 0.20 H new ATOM 0 HD13 ILE A 38 4.258 -0.040 0.553 1.00 0.20 H new ATOM 174 N VAL A 39 4.545 -5.257 2.910 1.00 0.19 N ATOM 175 CA VAL A 39 5.084 -6.603 2.825 1.00 0.18 C ATOM 176 C VAL A 39 5.179 -7.052 1.380 1.00 0.16 C ATOM 177 O VAL A 39 4.258 -6.834 0.611 1.00 0.18 O ATOM 178 CB VAL A 39 4.170 -7.591 3.566 1.00 0.20 C ATOM 179 CG1 VAL A 39 4.637 -9.023 3.387 1.00 0.23 C ATOM 180 CG2 VAL A 39 4.064 -7.232 5.026 1.00 0.26 C ATOM 0 H VAL A 39 3.637 -5.147 2.459 1.00 0.19 H new ATOM 0 HA VAL A 39 6.076 -6.589 3.278 1.00 0.18 H new ATOM 0 HB VAL A 39 3.176 -7.516 3.126 1.00 0.20 H new ATOM 0 HG11 VAL A 39 3.967 -9.694 3.925 1.00 0.23 H new ATOM 0 HG12 VAL A 39 4.632 -9.278 2.327 1.00 0.23 H new ATOM 0 HG13 VAL A 39 5.648 -9.128 3.780 1.00 0.23 H new ATOM 0 HG21 VAL A 39 3.412 -7.946 5.530 1.00 0.26 H new ATOM 0 HG22 VAL A 39 5.054 -7.262 5.481 1.00 0.26 H new ATOM 0 HG23 VAL A 39 3.649 -6.229 5.125 1.00 0.26 H new ATOM 190 N PRO A 40 6.288 -7.678 0.990 1.00 0.14 N ATOM 191 CA PRO A 40 6.418 -8.294 -0.318 1.00 0.14 C ATOM 192 C PRO A 40 5.901 -9.735 -0.316 1.00 0.16 C ATOM 193 O PRO A 40 6.269 -10.536 0.546 1.00 0.28 O ATOM 194 CB PRO A 40 7.925 -8.256 -0.579 1.00 0.17 C ATOM 195 CG PRO A 40 8.576 -7.801 0.696 1.00 0.15 C ATOM 196 CD PRO A 40 7.520 -7.820 1.765 1.00 0.14 C ATOM 0 HA PRO A 40 5.835 -7.780 -1.082 1.00 0.14 H new ATOM 0 HB2 PRO A 40 8.292 -9.240 -0.870 1.00 0.17 H new ATOM 0 HB3 PRO A 40 8.158 -7.574 -1.397 1.00 0.17 H new ATOM 0 HG2 PRO A 40 9.404 -8.458 0.961 1.00 0.15 H new ATOM 0 HG3 PRO A 40 8.989 -6.799 0.581 1.00 0.15 H new ATOM 0 HD2 PRO A 40 7.536 -8.748 2.336 1.00 0.14 H new ATOM 0 HD3 PRO A 40 7.648 -7.005 2.478 1.00 0.14 H new ATOM 204 N VAL A 41 5.033 -10.051 -1.268 1.00 0.14 N ATOM 205 CA VAL A 41 4.441 -11.384 -1.354 1.00 0.16 C ATOM 206 C VAL A 41 5.086 -12.200 -2.473 1.00 0.18 C ATOM 207 O VAL A 41 5.485 -13.344 -2.275 1.00 0.23 O ATOM 208 CB VAL A 41 2.922 -11.324 -1.623 1.00 0.17 C ATOM 209 CG1 VAL A 41 2.321 -12.717 -1.574 1.00 0.21 C ATOM 210 CG2 VAL A 41 2.208 -10.398 -0.649 1.00 0.20 C ATOM 0 H VAL A 41 4.722 -9.404 -1.993 1.00 0.14 H new ATOM 0 HA VAL A 41 4.619 -11.859 -0.389 1.00 0.16 H new ATOM 0 HB VAL A 41 2.782 -10.913 -2.623 1.00 0.17 H new ATOM 0 HG11 VAL A 41 1.250 -12.658 -1.766 1.00 0.21 H new ATOM 0 HG12 VAL A 41 2.791 -13.343 -2.332 1.00 0.21 H new ATOM 0 HG13 VAL A 41 2.490 -13.152 -0.589 1.00 0.21 H new ATOM 0 HG21 VAL A 41 1.142 -10.385 -0.874 1.00 0.20 H new ATOM 0 HG22 VAL A 41 2.360 -10.755 0.370 1.00 0.20 H new ATOM 0 HG23 VAL A 41 2.611 -9.390 -0.744 1.00 0.20 H new ATOM 220 N SER A 42 5.170 -11.603 -3.652 1.00 0.19 N ATOM 221 CA SER A 42 5.693 -12.288 -4.823 1.00 0.25 C ATOM 222 C SER A 42 7.197 -12.090 -4.927 1.00 0.24 C ATOM 223 O SER A 42 7.750 -11.083 -4.477 1.00 0.35 O ATOM 224 CB SER A 42 5.000 -11.773 -6.087 1.00 0.34 C ATOM 225 OG SER A 42 5.347 -12.538 -7.229 1.00 1.08 O ATOM 0 H SER A 42 4.881 -10.640 -3.823 1.00 0.19 H new ATOM 0 HA SER A 42 5.492 -13.355 -4.722 1.00 0.25 H new ATOM 0 HB2 SER A 42 3.920 -11.801 -5.946 1.00 0.34 H new ATOM 0 HB3 SER A 42 5.273 -10.731 -6.252 1.00 0.34 H new ATOM 0 HG SER A 42 4.579 -12.587 -7.835 1.00 1.08 H new ATOM 231 N LYS A 43 7.829 -13.081 -5.543 1.00 0.28 N ATOM 232 CA LYS A 43 9.281 -13.181 -5.657 1.00 0.31 C ATOM 233 C LYS A 43 9.922 -11.930 -6.253 1.00 0.26 C ATOM 234 O LYS A 43 11.050 -11.589 -5.909 1.00 0.32 O ATOM 235 CB LYS A 43 9.636 -14.398 -6.511 1.00 0.42 C ATOM 236 CG LYS A 43 8.865 -14.445 -7.817 1.00 1.02 C ATOM 237 CD LYS A 43 7.862 -15.583 -7.846 1.00 1.41 C ATOM 238 CE LYS A 43 6.971 -15.485 -9.071 1.00 2.09 C ATOM 239 NZ LYS A 43 7.759 -15.396 -10.330 1.00 2.95 N ATOM 0 H LYS A 43 7.336 -13.856 -5.988 1.00 0.28 H new ATOM 0 HA LYS A 43 9.678 -13.287 -4.647 1.00 0.31 H new ATOM 0 HB2 LYS A 43 10.705 -14.386 -6.725 1.00 0.42 H new ATOM 0 HB3 LYS A 43 9.435 -15.306 -5.943 1.00 0.42 H new ATOM 0 HG2 LYS A 43 8.344 -13.499 -7.964 1.00 1.02 H new ATOM 0 HG3 LYS A 43 9.564 -14.557 -8.646 1.00 1.02 H new ATOM 0 HD2 LYS A 43 8.388 -16.538 -7.849 1.00 1.41 H new ATOM 0 HD3 LYS A 43 7.251 -15.559 -6.944 1.00 1.41 H new ATOM 0 HE2 LYS A 43 6.317 -16.356 -9.114 1.00 2.09 H new ATOM 0 HE3 LYS A 43 6.329 -14.609 -8.983 1.00 2.09 H new ATOM 0 HZ1 LYS A 43 7.131 -15.552 -11.144 1.00 2.95 H new ATOM 0 HZ2 LYS A 43 8.192 -14.453 -10.402 1.00 2.95 H new ATOM 0 HZ3 LYS A 43 8.505 -16.121 -10.325 1.00 2.95 H new ATOM 253 N ASP A 44 9.205 -11.247 -7.138 1.00 0.23 N ATOM 254 CA ASP A 44 9.752 -10.081 -7.821 1.00 0.21 C ATOM 255 C ASP A 44 9.849 -8.893 -6.871 1.00 0.17 C ATOM 256 O ASP A 44 10.578 -7.935 -7.128 1.00 0.18 O ATOM 257 CB ASP A 44 8.884 -9.713 -9.025 1.00 0.25 C ATOM 258 CG ASP A 44 9.698 -9.228 -10.204 1.00 0.39 C ATOM 259 OD1 ASP A 44 10.690 -9.895 -10.557 1.00 0.44 O ATOM 260 OD2 ASP A 44 9.357 -8.172 -10.766 1.00 0.97 O ATOM 0 H ASP A 44 8.247 -11.480 -7.399 1.00 0.23 H new ATOM 0 HA ASP A 44 10.754 -10.332 -8.168 1.00 0.21 H new ATOM 0 HB2 ASP A 44 8.299 -10.582 -9.325 1.00 0.25 H new ATOM 0 HB3 ASP A 44 8.176 -8.937 -8.734 1.00 0.25 H new ATOM 265 N TYR A 45 9.111 -8.962 -5.768 1.00 0.15 N ATOM 266 CA TYR A 45 9.093 -7.882 -4.791 1.00 0.13 C ATOM 267 C TYR A 45 9.784 -8.306 -3.509 1.00 0.15 C ATOM 268 O TYR A 45 9.882 -7.529 -2.577 1.00 0.15 O ATOM 269 CB TYR A 45 7.659 -7.426 -4.482 1.00 0.12 C ATOM 270 CG TYR A 45 6.957 -6.789 -5.659 1.00 0.15 C ATOM 271 CD1 TYR A 45 6.707 -7.517 -6.816 1.00 0.23 C ATOM 272 CD2 TYR A 45 6.552 -5.459 -5.617 1.00 0.21 C ATOM 273 CE1 TYR A 45 6.081 -6.943 -7.902 1.00 0.29 C ATOM 274 CE2 TYR A 45 5.916 -4.881 -6.701 1.00 0.25 C ATOM 275 CZ TYR A 45 5.686 -5.629 -7.842 1.00 0.27 C ATOM 276 OH TYR A 45 5.072 -5.055 -8.931 1.00 0.35 O ATOM 0 H TYR A 45 8.517 -9.756 -5.529 1.00 0.15 H new ATOM 0 HA TYR A 45 9.633 -7.042 -5.227 1.00 0.13 H new ATOM 0 HB2 TYR A 45 7.079 -8.285 -4.146 1.00 0.12 H new ATOM 0 HB3 TYR A 45 7.683 -6.715 -3.656 1.00 0.12 H new ATOM 0 HD1 TYR A 45 7.009 -8.553 -6.865 1.00 0.23 H new ATOM 0 HD2 TYR A 45 6.736 -4.872 -4.729 1.00 0.21 H new ATOM 0 HE1 TYR A 45 5.902 -7.523 -8.795 1.00 0.29 H new ATOM 0 HE2 TYR A 45 5.600 -3.849 -6.657 1.00 0.25 H new ATOM 0 HH TYR A 45 4.177 -5.439 -9.042 1.00 0.35 H new ATOM 286 N PHE A 46 10.294 -9.526 -3.461 1.00 0.19 N ATOM 287 CA PHE A 46 10.975 -10.008 -2.258 1.00 0.23 C ATOM 288 C PHE A 46 12.178 -9.137 -1.905 1.00 0.22 C ATOM 289 O PHE A 46 12.730 -9.238 -0.810 1.00 0.26 O ATOM 290 CB PHE A 46 11.410 -11.463 -2.407 1.00 0.28 C ATOM 291 CG PHE A 46 10.337 -12.452 -2.053 1.00 0.36 C ATOM 292 CD1 PHE A 46 9.376 -12.138 -1.104 1.00 0.68 C ATOM 293 CD2 PHE A 46 10.294 -13.697 -2.654 1.00 0.68 C ATOM 294 CE1 PHE A 46 8.394 -13.046 -0.765 1.00 0.74 C ATOM 295 CE2 PHE A 46 9.312 -14.610 -2.321 1.00 0.76 C ATOM 296 CZ PHE A 46 8.361 -14.283 -1.375 1.00 0.57 C ATOM 0 H PHE A 46 10.254 -10.198 -4.228 1.00 0.19 H new ATOM 0 HA PHE A 46 10.255 -9.944 -1.443 1.00 0.23 H new ATOM 0 HB2 PHE A 46 11.726 -11.635 -3.436 1.00 0.28 H new ATOM 0 HB3 PHE A 46 12.279 -11.640 -1.773 1.00 0.28 H new ATOM 0 HD1 PHE A 46 9.396 -11.171 -0.624 1.00 0.68 H new ATOM 0 HD2 PHE A 46 11.037 -13.959 -3.393 1.00 0.68 H new ATOM 0 HE1 PHE A 46 7.652 -12.789 -0.023 1.00 0.74 H new ATOM 0 HE2 PHE A 46 9.288 -15.578 -2.800 1.00 0.76 H new ATOM 0 HZ PHE A 46 7.592 -14.995 -1.113 1.00 0.57 H new ATOM 306 N SER A 47 12.581 -8.282 -2.830 1.00 0.19 N ATOM 307 CA SER A 47 13.722 -7.431 -2.624 1.00 0.23 C ATOM 308 C SER A 47 13.329 -6.069 -2.049 1.00 0.17 C ATOM 309 O SER A 47 14.194 -5.234 -1.844 1.00 0.20 O ATOM 310 CB SER A 47 14.447 -7.258 -3.948 1.00 0.31 C ATOM 311 OG SER A 47 14.833 -8.518 -4.473 1.00 1.19 O ATOM 0 H SER A 47 12.125 -8.165 -3.735 1.00 0.19 H new ATOM 0 HA SER A 47 14.378 -7.903 -1.893 1.00 0.23 H new ATOM 0 HB2 SER A 47 13.800 -6.744 -4.659 1.00 0.31 H new ATOM 0 HB3 SER A 47 15.327 -6.631 -3.808 1.00 0.31 H new ATOM 0 HG SER A 47 15.297 -8.389 -5.326 1.00 1.19 H new ATOM 317 N ILE A 48 12.034 -5.850 -1.788 1.00 0.17 N ATOM 318 CA ILE A 48 11.562 -4.574 -1.225 1.00 0.15 C ATOM 319 C ILE A 48 12.381 -4.216 0.027 1.00 0.17 C ATOM 320 O ILE A 48 12.722 -5.100 0.813 1.00 0.20 O ATOM 321 CB ILE A 48 10.039 -4.626 -0.889 1.00 0.17 C ATOM 322 CG1 ILE A 48 9.205 -4.869 -2.157 1.00 0.18 C ATOM 323 CG2 ILE A 48 9.574 -3.347 -0.215 1.00 0.18 C ATOM 324 CD1 ILE A 48 8.408 -3.672 -2.637 1.00 0.21 C ATOM 0 H ILE A 48 11.296 -6.534 -1.956 1.00 0.17 H new ATOM 0 HA ILE A 48 11.705 -3.798 -1.977 1.00 0.15 H new ATOM 0 HB ILE A 48 9.892 -5.456 -0.199 1.00 0.17 H new ATOM 0 HG12 ILE A 48 9.873 -5.187 -2.958 1.00 0.18 H new ATOM 0 HG13 ILE A 48 8.517 -5.693 -1.969 1.00 0.18 H new ATOM 0 HG21 ILE A 48 8.509 -3.418 0.005 1.00 0.18 H new ATOM 0 HG22 ILE A 48 10.127 -3.203 0.713 1.00 0.18 H new ATOM 0 HG23 ILE A 48 9.752 -2.501 -0.878 1.00 0.18 H new ATOM 0 HD11 ILE A 48 7.853 -3.941 -3.536 1.00 0.21 H new ATOM 0 HD12 ILE A 48 7.710 -3.364 -1.858 1.00 0.21 H new ATOM 0 HD13 ILE A 48 9.087 -2.850 -2.862 1.00 0.21 H new ATOM 336 N PRO A 49 12.736 -2.919 0.182 1.00 0.16 N ATOM 337 CA PRO A 49 13.684 -2.405 1.195 1.00 0.19 C ATOM 338 C PRO A 49 13.510 -2.874 2.634 1.00 0.15 C ATOM 339 O PRO A 49 12.672 -3.715 2.959 1.00 0.21 O ATOM 340 CB PRO A 49 13.467 -0.887 1.168 1.00 0.26 C ATOM 341 CG PRO A 49 12.302 -0.665 0.290 1.00 0.17 C ATOM 342 CD PRO A 49 12.267 -1.818 -0.657 1.00 0.16 C ATOM 0 HA PRO A 49 14.674 -2.774 0.927 1.00 0.19 H new ATOM 0 HB2 PRO A 49 13.281 -0.500 2.170 1.00 0.26 H new ATOM 0 HB3 PRO A 49 14.349 -0.372 0.786 1.00 0.26 H new ATOM 0 HG2 PRO A 49 11.382 -0.611 0.871 1.00 0.17 H new ATOM 0 HG3 PRO A 49 12.395 0.278 -0.249 1.00 0.17 H new ATOM 0 HD2 PRO A 49 11.263 -1.998 -1.042 1.00 0.16 H new ATOM 0 HD3 PRO A 49 12.915 -1.657 -1.518 1.00 0.16 H new ATOM 350 N ASN A 50 14.332 -2.260 3.492 1.00 0.17 N ATOM 351 CA ASN A 50 14.366 -2.538 4.923 1.00 0.22 C ATOM 352 C ASN A 50 12.958 -2.686 5.491 1.00 0.22 C ATOM 353 O ASN A 50 12.635 -3.695 6.120 1.00 0.34 O ATOM 354 CB ASN A 50 15.103 -1.403 5.655 1.00 0.35 C ATOM 355 CG ASN A 50 15.319 -1.719 7.123 1.00 0.58 C ATOM 356 OD1 ASN A 50 14.457 -1.449 7.960 1.00 1.23 O ATOM 357 ND2 ASN A 50 16.474 -2.274 7.446 1.00 0.83 N ATOM 0 H ASN A 50 15.000 -1.546 3.203 1.00 0.17 H new ATOM 0 HA ASN A 50 14.895 -3.479 5.074 1.00 0.22 H new ATOM 0 HB2 ASN A 50 16.067 -1.229 5.176 1.00 0.35 H new ATOM 0 HB3 ASN A 50 14.530 -0.480 5.563 1.00 0.35 H new ATOM 0 HD21 ASN A 50 16.679 -2.495 8.420 1.00 0.83 H new ATOM 0 HD22 ASN A 50 17.161 -2.481 6.721 1.00 0.83 H new ATOM 364 N ASP A 51 12.124 -1.685 5.219 1.00 0.24 N ATOM 365 CA ASP A 51 10.747 -1.642 5.713 1.00 0.34 C ATOM 366 C ASP A 51 10.138 -0.295 5.376 1.00 0.27 C ATOM 367 O ASP A 51 10.545 0.734 5.917 1.00 0.36 O ATOM 368 CB ASP A 51 10.678 -1.880 7.228 1.00 0.51 C ATOM 369 CG ASP A 51 9.256 -1.865 7.761 1.00 1.20 C ATOM 370 OD1 ASP A 51 8.405 -2.618 7.242 1.00 1.90 O ATOM 371 OD2 ASP A 51 8.986 -1.104 8.714 1.00 1.23 O ATOM 0 H ASP A 51 12.383 -0.879 4.649 1.00 0.24 H new ATOM 0 HA ASP A 51 10.186 -2.441 5.228 1.00 0.34 H new ATOM 0 HB2 ASP A 51 11.139 -2.840 7.462 1.00 0.51 H new ATOM 0 HB3 ASP A 51 11.261 -1.113 7.739 1.00 0.51 H new ATOM 376 N LEU A 52 9.201 -0.298 4.450 1.00 0.22 N ATOM 377 CA LEU A 52 8.537 0.927 4.035 1.00 0.17 C ATOM 378 C LEU A 52 7.291 1.158 4.865 1.00 0.19 C ATOM 379 O LEU A 52 6.551 0.219 5.169 1.00 0.25 O ATOM 380 CB LEU A 52 8.162 0.857 2.557 1.00 0.18 C ATOM 381 CG LEU A 52 9.334 0.656 1.607 1.00 0.14 C ATOM 382 CD1 LEU A 52 8.832 0.390 0.201 1.00 0.17 C ATOM 383 CD2 LEU A 52 10.248 1.872 1.622 1.00 0.15 C ATOM 0 H LEU A 52 8.879 -1.137 3.967 1.00 0.22 H new ATOM 0 HA LEU A 52 9.227 1.757 4.187 1.00 0.17 H new ATOM 0 HB2 LEU A 52 7.454 0.040 2.415 1.00 0.18 H new ATOM 0 HB3 LEU A 52 7.646 1.777 2.284 1.00 0.18 H new ATOM 0 HG LEU A 52 9.906 -0.209 1.942 1.00 0.14 H new ATOM 0 HD11 LEU A 52 9.681 0.248 -0.468 1.00 0.17 H new ATOM 0 HD12 LEU A 52 8.215 -0.508 0.199 1.00 0.17 H new ATOM 0 HD13 LEU A 52 8.239 1.239 -0.140 1.00 0.17 H new ATOM 0 HD21 LEU A 52 11.080 1.710 0.937 1.00 0.15 H new ATOM 0 HD22 LEU A 52 9.687 2.753 1.310 1.00 0.15 H new ATOM 0 HD23 LEU A 52 10.633 2.026 2.630 1.00 0.15 H new ATOM 395 N LEU A 53 7.058 2.402 5.229 1.00 0.16 N ATOM 396 CA LEU A 53 5.871 2.747 5.986 1.00 0.18 C ATOM 397 C LEU A 53 4.838 3.393 5.079 1.00 0.17 C ATOM 398 O LEU A 53 5.068 4.456 4.507 1.00 0.17 O ATOM 399 CB LEU A 53 6.211 3.686 7.144 1.00 0.21 C ATOM 400 CG LEU A 53 7.104 3.085 8.228 1.00 0.26 C ATOM 401 CD1 LEU A 53 7.405 4.118 9.301 1.00 0.32 C ATOM 402 CD2 LEU A 53 6.445 1.861 8.842 1.00 0.30 C ATOM 0 H LEU A 53 7.671 3.188 5.015 1.00 0.16 H new ATOM 0 HA LEU A 53 5.457 1.828 6.401 1.00 0.18 H new ATOM 0 HB2 LEU A 53 6.702 4.571 6.741 1.00 0.21 H new ATOM 0 HB3 LEU A 53 5.281 4.020 7.605 1.00 0.21 H new ATOM 0 HG LEU A 53 8.044 2.778 7.769 1.00 0.26 H new ATOM 0 HD11 LEU A 53 8.042 3.673 10.066 1.00 0.32 H new ATOM 0 HD12 LEU A 53 7.916 4.970 8.853 1.00 0.32 H new ATOM 0 HD13 LEU A 53 6.473 4.453 9.756 1.00 0.32 H new ATOM 0 HD21 LEU A 53 7.095 1.446 9.612 1.00 0.30 H new ATOM 0 HD22 LEU A 53 5.491 2.146 9.287 1.00 0.30 H new ATOM 0 HD23 LEU A 53 6.275 1.112 8.068 1.00 0.30 H new ATOM 414 N TRP A 54 3.711 2.730 4.949 1.00 0.18 N ATOM 415 CA TRP A 54 2.593 3.253 4.195 1.00 0.20 C ATOM 416 C TRP A 54 1.616 3.912 5.155 1.00 0.23 C ATOM 417 O TRP A 54 1.372 3.404 6.249 1.00 0.28 O ATOM 418 CB TRP A 54 1.912 2.106 3.434 1.00 0.22 C ATOM 419 CG TRP A 54 0.799 2.526 2.516 1.00 0.24 C ATOM 420 CD1 TRP A 54 -0.387 3.100 2.871 1.00 0.35 C ATOM 421 CD2 TRP A 54 0.753 2.367 1.093 1.00 0.24 C ATOM 422 NE1 TRP A 54 -1.151 3.334 1.758 1.00 0.35 N ATOM 423 CE2 TRP A 54 -0.479 2.886 0.656 1.00 0.26 C ATOM 424 CE3 TRP A 54 1.635 1.842 0.143 1.00 0.34 C ATOM 425 CZ2 TRP A 54 -0.852 2.893 -0.682 1.00 0.27 C ATOM 426 CZ3 TRP A 54 1.260 1.851 -1.187 1.00 0.41 C ATOM 427 CH2 TRP A 54 0.024 2.375 -1.587 1.00 0.35 C ATOM 0 H TRP A 54 3.543 1.813 5.363 1.00 0.18 H new ATOM 0 HA TRP A 54 2.937 3.994 3.473 1.00 0.20 H new ATOM 0 HB2 TRP A 54 2.666 1.580 2.849 1.00 0.22 H new ATOM 0 HB3 TRP A 54 1.516 1.394 4.158 1.00 0.22 H new ATOM 0 HD1 TRP A 54 -0.681 3.336 3.883 1.00 0.35 H new ATOM 0 HE1 TRP A 54 -2.072 3.772 1.753 1.00 0.35 H new ATOM 0 HE3 TRP A 54 2.590 1.437 0.443 1.00 0.34 H new ATOM 0 HZ2 TRP A 54 -1.804 3.296 -0.994 1.00 0.27 H new ATOM 0 HZ3 TRP A 54 1.931 1.447 -1.931 1.00 0.41 H new ATOM 0 HH2 TRP A 54 -0.240 2.368 -2.634 1.00 0.35 H new ATOM 438 N SER A 55 1.085 5.049 4.765 1.00 0.26 N ATOM 439 CA SER A 55 0.064 5.702 5.540 1.00 0.33 C ATOM 440 C SER A 55 -1.043 6.175 4.616 1.00 0.25 C ATOM 441 O SER A 55 -0.820 7.025 3.753 1.00 0.22 O ATOM 442 CB SER A 55 0.662 6.880 6.310 1.00 0.44 C ATOM 443 OG SER A 55 1.616 6.437 7.264 1.00 1.11 O ATOM 0 H SER A 55 1.348 5.540 3.910 1.00 0.26 H new ATOM 0 HA SER A 55 -0.352 4.999 6.261 1.00 0.33 H new ATOM 0 HB2 SER A 55 1.135 7.572 5.613 1.00 0.44 H new ATOM 0 HB3 SER A 55 -0.133 7.430 6.814 1.00 0.44 H new ATOM 0 HG SER A 55 1.176 5.860 7.923 1.00 1.11 H new ATOM 449 N PHE A 56 -2.224 5.593 4.765 1.00 0.30 N ATOM 450 CA PHE A 56 -3.375 6.074 4.036 1.00 0.28 C ATOM 451 C PHE A 56 -3.850 7.354 4.686 1.00 0.27 C ATOM 452 O PHE A 56 -4.252 7.349 5.843 1.00 0.39 O ATOM 453 CB PHE A 56 -4.519 5.052 4.071 1.00 0.40 C ATOM 454 CG PHE A 56 -4.292 3.799 3.270 1.00 0.30 C ATOM 455 CD1 PHE A 56 -4.508 3.776 1.896 1.00 0.34 C ATOM 456 CD2 PHE A 56 -3.847 2.644 3.892 1.00 0.29 C ATOM 457 CE1 PHE A 56 -4.285 2.622 1.166 1.00 0.34 C ATOM 458 CE2 PHE A 56 -3.625 1.489 3.167 1.00 0.30 C ATOM 459 CZ PHE A 56 -3.901 1.484 1.777 1.00 0.27 C ATOM 0 H PHE A 56 -2.404 4.797 5.377 1.00 0.30 H new ATOM 0 HA PHE A 56 -3.089 6.239 2.997 1.00 0.28 H new ATOM 0 HB2 PHE A 56 -4.701 4.771 5.108 1.00 0.40 H new ATOM 0 HB3 PHE A 56 -5.426 5.535 3.708 1.00 0.40 H new ATOM 0 HD1 PHE A 56 -4.853 4.668 1.394 1.00 0.34 H new ATOM 0 HD2 PHE A 56 -3.671 2.646 4.958 1.00 0.29 H new ATOM 0 HE1 PHE A 56 -4.420 2.633 0.095 1.00 0.34 H new ATOM 0 HE2 PHE A 56 -3.246 0.602 3.653 1.00 0.30 H new ATOM 0 HZ PHE A 56 -3.804 0.571 1.209 1.00 0.27 H new ATOM 469 N ASN A 57 -3.825 8.439 3.946 1.00 0.24 N ATOM 470 CA ASN A 57 -4.328 9.698 4.460 1.00 0.31 C ATOM 471 C ASN A 57 -5.749 9.885 3.967 1.00 0.33 C ATOM 472 O ASN A 57 -5.962 10.301 2.846 1.00 0.41 O ATOM 473 CB ASN A 57 -3.459 10.873 3.983 1.00 0.45 C ATOM 474 CG ASN A 57 -1.965 10.611 4.091 1.00 1.09 C ATOM 475 OD1 ASN A 57 -1.350 10.094 3.168 1.00 2.12 O ATOM 476 ND2 ASN A 57 -1.366 10.976 5.211 1.00 1.16 N ATOM 0 H ASN A 57 -3.465 8.478 2.992 1.00 0.24 H new ATOM 0 HA ASN A 57 -4.300 9.677 5.549 1.00 0.31 H new ATOM 0 HB2 ASN A 57 -3.705 11.098 2.945 1.00 0.45 H new ATOM 0 HB3 ASN A 57 -3.707 11.758 4.569 1.00 0.45 H new ATOM 0 HD21 ASN A 57 -0.363 10.829 5.324 1.00 1.16 H new ATOM 0 HD22 ASN A 57 -1.907 11.405 5.962 1.00 1.16 H new ATOM 483 N THR A 58 -6.726 9.566 4.783 1.00 0.34 N ATOM 484 CA THR A 58 -8.107 9.619 4.332 1.00 0.40 C ATOM 485 C THR A 58 -8.845 10.838 4.879 1.00 0.48 C ATOM 486 O THR A 58 -9.968 11.133 4.473 1.00 0.61 O ATOM 487 CB THR A 58 -8.832 8.332 4.734 1.00 0.40 C ATOM 488 OG1 THR A 58 -8.215 7.778 5.900 1.00 0.43 O ATOM 489 CG2 THR A 58 -8.807 7.317 3.601 1.00 0.48 C ATOM 0 H THR A 58 -6.599 9.270 5.751 1.00 0.34 H new ATOM 0 HA THR A 58 -8.099 9.711 3.246 1.00 0.40 H new ATOM 0 HB THR A 58 -9.873 8.573 4.951 1.00 0.40 H new ATOM 0 HG1 THR A 58 -8.681 6.955 6.157 1.00 0.43 H new ATOM 0 HG21 THR A 58 -9.329 6.412 3.912 1.00 0.48 H new ATOM 0 HG22 THR A 58 -9.301 7.737 2.725 1.00 0.48 H new ATOM 0 HG23 THR A 58 -7.774 7.074 3.353 1.00 0.48 H new ATOM 497 N THR A 59 -8.201 11.559 5.782 1.00 0.50 N ATOM 498 CA THR A 59 -8.778 12.760 6.340 1.00 0.63 C ATOM 499 C THR A 59 -8.407 13.974 5.488 1.00 0.67 C ATOM 500 O THR A 59 -9.232 14.856 5.251 1.00 0.77 O ATOM 501 CB THR A 59 -8.334 12.939 7.804 1.00 0.74 C ATOM 502 OG1 THR A 59 -9.070 12.047 8.641 1.00 0.86 O ATOM 503 CG2 THR A 59 -8.517 14.366 8.280 1.00 0.90 C ATOM 0 H THR A 59 -7.275 11.328 6.142 1.00 0.50 H new ATOM 0 HA THR A 59 -9.864 12.668 6.332 1.00 0.63 H new ATOM 0 HB THR A 59 -7.270 12.708 7.862 1.00 0.74 H new ATOM 0 HG1 THR A 59 -8.785 12.161 9.572 1.00 0.86 H new ATOM 0 HG21 THR A 59 -8.192 14.448 9.317 1.00 0.90 H new ATOM 0 HG22 THR A 59 -7.922 15.036 7.659 1.00 0.90 H new ATOM 0 HG23 THR A 59 -9.569 14.642 8.207 1.00 0.90 H new ATOM 511 N ASN A 60 -7.174 13.997 4.996 1.00 0.65 N ATOM 512 CA ASN A 60 -6.759 15.026 4.047 1.00 0.74 C ATOM 513 C ASN A 60 -6.797 14.458 2.633 1.00 0.72 C ATOM 514 O ASN A 60 -6.566 15.161 1.647 1.00 0.84 O ATOM 515 CB ASN A 60 -5.362 15.575 4.374 1.00 0.86 C ATOM 516 CG ASN A 60 -4.285 14.504 4.387 1.00 1.17 C ATOM 517 OD1 ASN A 60 -3.696 14.187 3.358 1.00 1.99 O ATOM 518 ND2 ASN A 60 -4.003 13.961 5.563 1.00 1.69 N ATOM 0 H ASN A 60 -6.448 13.321 5.235 1.00 0.65 H new ATOM 0 HA ASN A 60 -7.455 15.861 4.122 1.00 0.74 H new ATOM 0 HB2 ASN A 60 -5.098 16.338 3.641 1.00 0.86 H new ATOM 0 HB3 ASN A 60 -5.390 16.065 5.347 1.00 0.86 H new ATOM 0 HD21 ASN A 60 -3.273 13.252 5.636 1.00 1.69 H new ATOM 0 HD22 ASN A 60 -4.516 14.252 6.395 1.00 1.69 H new ATOM 525 N LYS A 61 -7.109 13.161 2.580 1.00 0.64 N ATOM 526 CA LYS A 61 -7.255 12.394 1.344 1.00 0.66 C ATOM 527 C LYS A 61 -5.995 12.415 0.474 1.00 0.65 C ATOM 528 O LYS A 61 -5.893 13.171 -0.489 1.00 0.94 O ATOM 529 CB LYS A 61 -8.455 12.857 0.553 1.00 0.84 C ATOM 530 CG LYS A 61 -9.763 12.685 1.296 1.00 0.96 C ATOM 531 CD LYS A 61 -10.839 13.520 0.662 1.00 0.99 C ATOM 532 CE LYS A 61 -11.172 13.061 -0.751 1.00 1.06 C ATOM 533 NZ LYS A 61 -11.981 11.813 -0.766 1.00 1.65 N ATOM 0 H LYS A 61 -7.271 12.602 3.418 1.00 0.64 H new ATOM 0 HA LYS A 61 -7.412 11.359 1.646 1.00 0.66 H new ATOM 0 HB2 LYS A 61 -8.328 13.908 0.294 1.00 0.84 H new ATOM 0 HB3 LYS A 61 -8.501 12.301 -0.384 1.00 0.84 H new ATOM 0 HG2 LYS A 61 -10.057 11.635 1.289 1.00 0.96 H new ATOM 0 HG3 LYS A 61 -9.637 12.974 2.339 1.00 0.96 H new ATOM 0 HD2 LYS A 61 -11.738 13.477 1.277 1.00 0.99 H new ATOM 0 HD3 LYS A 61 -10.520 14.562 0.637 1.00 0.99 H new ATOM 0 HE2 LYS A 61 -11.718 13.851 -1.267 1.00 1.06 H new ATOM 0 HE3 LYS A 61 -10.247 12.898 -1.305 1.00 1.06 H new ATOM 0 HZ1 LYS A 61 -12.268 11.597 -1.742 1.00 1.65 H new ATOM 0 HZ2 LYS A 61 -11.414 11.027 -0.390 1.00 1.65 H new ATOM 0 HZ3 LYS A 61 -12.828 11.941 -0.177 1.00 1.65 H new ATOM 547 N SER A 62 -5.059 11.544 0.806 1.00 0.41 N ATOM 548 CA SER A 62 -3.777 11.462 0.137 1.00 0.38 C ATOM 549 C SER A 62 -3.119 10.124 0.490 1.00 0.35 C ATOM 550 O SER A 62 -3.665 9.339 1.266 1.00 0.50 O ATOM 551 CB SER A 62 -2.899 12.642 0.579 1.00 0.47 C ATOM 552 OG SER A 62 -1.686 12.698 -0.145 1.00 1.28 O ATOM 0 H SER A 62 -5.172 10.865 1.559 1.00 0.41 H new ATOM 0 HA SER A 62 -3.905 11.515 -0.944 1.00 0.38 H new ATOM 0 HB2 SER A 62 -3.447 13.574 0.441 1.00 0.47 H new ATOM 0 HB3 SER A 62 -2.682 12.554 1.644 1.00 0.47 H new ATOM 0 HG SER A 62 -1.850 12.449 -1.078 1.00 1.28 H new ATOM 558 N ILE A 63 -1.977 9.857 -0.106 1.00 0.36 N ATOM 559 CA ILE A 63 -1.185 8.683 0.219 1.00 0.33 C ATOM 560 C ILE A 63 0.185 9.148 0.679 1.00 0.35 C ATOM 561 O ILE A 63 0.734 10.084 0.106 1.00 0.54 O ATOM 562 CB ILE A 63 -0.964 7.760 -1.007 1.00 0.34 C ATOM 563 CG1 ILE A 63 -2.273 7.469 -1.761 1.00 0.37 C ATOM 564 CG2 ILE A 63 -0.294 6.459 -0.575 1.00 0.39 C ATOM 565 CD1 ILE A 63 -3.153 6.451 -1.077 1.00 1.11 C ATOM 0 H ILE A 63 -1.568 10.447 -0.831 1.00 0.36 H new ATOM 0 HA ILE A 63 -1.723 8.124 0.985 1.00 0.33 H new ATOM 0 HB ILE A 63 -0.308 8.289 -1.698 1.00 0.34 H new ATOM 0 HG12 ILE A 63 -2.830 8.399 -1.876 1.00 0.37 H new ATOM 0 HG13 ILE A 63 -2.034 7.114 -2.763 1.00 0.37 H new ATOM 0 HG21 ILE A 63 -0.145 5.820 -1.445 1.00 0.39 H new ATOM 0 HG22 ILE A 63 0.670 6.681 -0.118 1.00 0.39 H new ATOM 0 HG23 ILE A 63 -0.928 5.945 0.147 1.00 0.39 H new ATOM 0 HD11 ILE A 63 -4.057 6.297 -1.666 1.00 1.11 H new ATOM 0 HD12 ILE A 63 -2.615 5.508 -0.985 1.00 1.11 H new ATOM 0 HD13 ILE A 63 -3.424 6.812 -0.085 1.00 1.11 H new ATOM 577 N ASN A 64 0.734 8.523 1.702 1.00 0.25 N ATOM 578 CA ASN A 64 2.086 8.837 2.130 1.00 0.25 C ATOM 579 C ASN A 64 2.870 7.569 2.393 1.00 0.21 C ATOM 580 O ASN A 64 2.598 6.842 3.344 1.00 0.24 O ATOM 581 CB ASN A 64 2.072 9.732 3.365 1.00 0.34 C ATOM 582 CG ASN A 64 2.031 11.208 3.001 1.00 0.57 C ATOM 583 OD1 ASN A 64 3.064 11.880 2.968 1.00 1.22 O ATOM 584 ND2 ASN A 64 0.846 11.721 2.709 1.00 0.53 N ATOM 0 H ASN A 64 0.270 7.799 2.250 1.00 0.25 H new ATOM 0 HA ASN A 64 2.579 9.383 1.325 1.00 0.25 H new ATOM 0 HB2 ASN A 64 1.206 9.487 3.980 1.00 0.34 H new ATOM 0 HB3 ASN A 64 2.958 9.532 3.967 1.00 0.34 H new ATOM 0 HD21 ASN A 64 0.766 12.703 2.446 1.00 0.53 H new ATOM 0 HD22 ASN A 64 0.013 11.134 2.747 1.00 0.53 H new ATOM 591 N VAL A 65 3.824 7.299 1.523 1.00 0.20 N ATOM 592 CA VAL A 65 4.681 6.138 1.668 1.00 0.18 C ATOM 593 C VAL A 65 6.093 6.604 1.977 1.00 0.20 C ATOM 594 O VAL A 65 6.725 7.265 1.153 1.00 0.25 O ATOM 595 CB VAL A 65 4.715 5.278 0.391 1.00 0.18 C ATOM 596 CG1 VAL A 65 5.323 3.915 0.685 1.00 0.18 C ATOM 597 CG2 VAL A 65 3.328 5.139 -0.217 1.00 0.19 C ATOM 0 H VAL A 65 4.026 7.872 0.703 1.00 0.20 H new ATOM 0 HA VAL A 65 4.279 5.527 2.476 1.00 0.18 H new ATOM 0 HB VAL A 65 5.344 5.783 -0.342 1.00 0.18 H new ATOM 0 HG11 VAL A 65 5.340 3.319 -0.228 1.00 0.18 H new ATOM 0 HG12 VAL A 65 6.341 4.042 1.054 1.00 0.18 H new ATOM 0 HG13 VAL A 65 4.725 3.405 1.440 1.00 0.18 H new ATOM 0 HG21 VAL A 65 3.385 4.527 -1.117 1.00 0.19 H new ATOM 0 HG22 VAL A 65 2.661 4.665 0.503 1.00 0.19 H new ATOM 0 HG23 VAL A 65 2.943 6.126 -0.473 1.00 0.19 H new ATOM 607 N TYR A 66 6.584 6.270 3.153 1.00 0.19 N ATOM 608 CA TYR A 66 7.865 6.785 3.594 1.00 0.21 C ATOM 609 C TYR A 66 8.624 5.782 4.449 1.00 0.21 C ATOM 610 O TYR A 66 8.060 4.841 4.987 1.00 0.24 O ATOM 611 CB TYR A 66 7.675 8.100 4.360 1.00 0.27 C ATOM 612 CG TYR A 66 6.605 8.049 5.430 1.00 0.31 C ATOM 613 CD1 TYR A 66 5.275 8.316 5.129 1.00 0.33 C ATOM 614 CD2 TYR A 66 6.929 7.723 6.740 1.00 0.40 C ATOM 615 CE1 TYR A 66 4.298 8.260 6.107 1.00 0.43 C ATOM 616 CE2 TYR A 66 5.959 7.668 7.722 1.00 0.50 C ATOM 617 CZ TYR A 66 4.631 7.973 7.387 1.00 0.51 C ATOM 618 OH TYR A 66 3.680 7.872 8.379 1.00 0.63 O ATOM 0 H TYR A 66 6.120 5.649 3.816 1.00 0.19 H new ATOM 0 HA TYR A 66 8.464 6.970 2.702 1.00 0.21 H new ATOM 0 HB2 TYR A 66 8.622 8.377 4.823 1.00 0.27 H new ATOM 0 HB3 TYR A 66 7.425 8.888 3.650 1.00 0.27 H new ATOM 0 HD1 TYR A 66 5.000 8.571 4.116 1.00 0.33 H new ATOM 0 HD2 TYR A 66 7.956 7.509 6.996 1.00 0.40 H new ATOM 0 HE1 TYR A 66 3.266 8.446 5.848 1.00 0.43 H new ATOM 0 HE2 TYR A 66 6.219 7.394 8.734 1.00 0.50 H new ATOM 0 HH TYR A 66 2.872 7.453 8.016 1.00 0.63 H new ATOM 628 N SER A 67 9.917 5.996 4.534 1.00 0.21 N ATOM 629 CA SER A 67 10.797 5.217 5.376 1.00 0.24 C ATOM 630 C SER A 67 12.029 6.055 5.677 1.00 0.28 C ATOM 631 O SER A 67 12.045 7.250 5.372 1.00 0.30 O ATOM 632 CB SER A 67 11.199 3.899 4.703 1.00 0.26 C ATOM 633 OG SER A 67 12.108 4.114 3.635 1.00 0.29 O ATOM 0 H SER A 67 10.396 6.729 4.011 1.00 0.21 H new ATOM 0 HA SER A 67 10.277 4.959 6.299 1.00 0.24 H new ATOM 0 HB2 SER A 67 11.653 3.237 5.440 1.00 0.26 H new ATOM 0 HB3 SER A 67 10.308 3.395 4.328 1.00 0.26 H new ATOM 0 HG SER A 67 12.345 3.254 3.229 1.00 0.29 H new ATOM 639 N LYS A 68 13.033 5.442 6.292 1.00 0.33 N ATOM 640 CA LYS A 68 14.294 6.119 6.605 1.00 0.38 C ATOM 641 C LYS A 68 14.818 6.956 5.433 1.00 0.36 C ATOM 642 O LYS A 68 15.404 8.020 5.632 1.00 0.42 O ATOM 643 CB LYS A 68 15.397 5.125 6.992 1.00 0.47 C ATOM 644 CG LYS A 68 15.000 4.098 8.035 1.00 0.63 C ATOM 645 CD LYS A 68 14.580 2.799 7.384 1.00 1.00 C ATOM 646 CE LYS A 68 15.736 2.133 6.649 1.00 1.58 C ATOM 647 NZ LYS A 68 16.877 1.829 7.553 1.00 2.03 N ATOM 0 H LYS A 68 13.001 4.467 6.588 1.00 0.33 H new ATOM 0 HA LYS A 68 14.062 6.772 7.446 1.00 0.38 H new ATOM 0 HB2 LYS A 68 15.723 4.601 6.094 1.00 0.47 H new ATOM 0 HB3 LYS A 68 16.255 5.685 7.364 1.00 0.47 H new ATOM 0 HG2 LYS A 68 15.837 3.917 8.709 1.00 0.63 H new ATOM 0 HG3 LYS A 68 14.181 4.487 8.640 1.00 0.63 H new ATOM 0 HD2 LYS A 68 14.194 2.120 8.144 1.00 1.00 H new ATOM 0 HD3 LYS A 68 13.766 2.990 6.684 1.00 1.00 H new ATOM 0 HE2 LYS A 68 15.386 1.210 6.186 1.00 1.58 H new ATOM 0 HE3 LYS A 68 16.076 2.785 5.844 1.00 1.58 H new ATOM 0 HZ1 LYS A 68 17.532 1.175 7.078 1.00 2.03 H new ATOM 0 HZ2 LYS A 68 17.378 2.710 7.789 1.00 2.03 H new ATOM 0 HZ3 LYS A 68 16.521 1.389 8.426 1.00 2.03 H new ATOM 661 N CYS A 69 14.597 6.476 4.215 1.00 0.36 N ATOM 662 CA CYS A 69 15.271 7.040 3.049 1.00 0.37 C ATOM 663 C CYS A 69 14.315 7.398 1.905 1.00 0.41 C ATOM 664 O CYS A 69 14.759 7.840 0.846 1.00 0.74 O ATOM 665 CB CYS A 69 16.303 6.041 2.547 1.00 0.38 C ATOM 666 SG CYS A 69 17.518 5.519 3.800 1.00 0.38 S ATOM 0 H CYS A 69 13.962 5.705 4.008 1.00 0.36 H new ATOM 0 HA CYS A 69 15.739 7.971 3.368 1.00 0.37 H new ATOM 0 HB2 CYS A 69 15.784 5.159 2.172 1.00 0.38 H new ATOM 0 HB3 CYS A 69 16.835 6.480 1.703 1.00 0.38 H new ATOM 671 N ILE A 70 13.019 7.205 2.101 1.00 0.25 N ATOM 672 CA ILE A 70 12.042 7.531 1.062 1.00 0.22 C ATOM 673 C ILE A 70 10.847 8.236 1.684 1.00 0.23 C ATOM 674 O ILE A 70 10.540 8.022 2.852 1.00 0.27 O ATOM 675 CB ILE A 70 11.584 6.273 0.278 1.00 0.20 C ATOM 676 CG1 ILE A 70 10.711 6.647 -0.922 1.00 0.20 C ATOM 677 CG2 ILE A 70 10.829 5.318 1.181 1.00 0.22 C ATOM 678 CD1 ILE A 70 10.728 5.600 -2.005 1.00 0.23 C ATOM 0 H ILE A 70 12.618 6.828 2.960 1.00 0.25 H new ATOM 0 HA ILE A 70 12.524 8.196 0.346 1.00 0.22 H new ATOM 0 HB ILE A 70 12.483 5.779 -0.090 1.00 0.20 H new ATOM 0 HG12 ILE A 70 9.685 6.799 -0.586 1.00 0.20 H new ATOM 0 HG13 ILE A 70 11.055 7.595 -1.334 1.00 0.20 H new ATOM 0 HG21 ILE A 70 10.519 4.444 0.608 1.00 0.22 H new ATOM 0 HG22 ILE A 70 11.476 5.004 2.000 1.00 0.22 H new ATOM 0 HG23 ILE A 70 9.949 5.818 1.585 1.00 0.22 H new ATOM 0 HD11 ILE A 70 10.091 5.920 -2.830 1.00 0.23 H new ATOM 0 HD12 ILE A 70 11.748 5.465 -2.365 1.00 0.23 H new ATOM 0 HD13 ILE A 70 10.357 4.657 -1.605 1.00 0.23 H new ATOM 690 N SER A 71 10.201 9.089 0.916 1.00 0.24 N ATOM 691 CA SER A 71 9.062 9.849 1.403 1.00 0.28 C ATOM 692 C SER A 71 8.245 10.352 0.222 1.00 0.29 C ATOM 693 O SER A 71 8.673 11.256 -0.496 1.00 0.39 O ATOM 694 CB SER A 71 9.543 11.021 2.270 1.00 0.42 C ATOM 695 OG SER A 71 8.457 11.730 2.840 1.00 1.12 O ATOM 0 H SER A 71 10.446 9.276 -0.056 1.00 0.24 H new ATOM 0 HA SER A 71 8.432 9.206 2.018 1.00 0.28 H new ATOM 0 HB2 SER A 71 10.189 10.646 3.063 1.00 0.42 H new ATOM 0 HB3 SER A 71 10.143 11.700 1.664 1.00 0.42 H new ATOM 0 HG SER A 71 8.799 12.468 3.387 1.00 1.12 H new ATOM 701 N GLY A 72 7.090 9.746 -0.002 1.00 0.30 N ATOM 702 CA GLY A 72 6.282 10.119 -1.137 1.00 0.42 C ATOM 703 C GLY A 72 4.831 10.328 -0.800 1.00 0.31 C ATOM 704 O GLY A 72 4.263 9.621 0.029 1.00 0.40 O ATOM 0 H GLY A 72 6.701 9.005 0.581 1.00 0.30 H new ATOM 0 HA2 GLY A 72 6.681 11.036 -1.571 1.00 0.42 H new ATOM 0 HA3 GLY A 72 6.361 9.344 -1.899 1.00 0.42 H new ATOM 708 N LYS A 73 4.243 11.301 -1.463 1.00 0.24 N ATOM 709 CA LYS A 73 2.838 11.618 -1.300 1.00 0.23 C ATOM 710 C LYS A 73 2.098 11.273 -2.581 1.00 0.21 C ATOM 711 O LYS A 73 2.671 11.323 -3.658 1.00 0.27 O ATOM 712 CB LYS A 73 2.687 13.106 -0.974 1.00 0.35 C ATOM 713 CG LYS A 73 1.259 13.599 -0.845 1.00 1.00 C ATOM 714 CD LYS A 73 1.002 14.746 -1.793 1.00 0.70 C ATOM 715 CE LYS A 73 0.865 14.235 -3.202 1.00 0.43 C ATOM 716 NZ LYS A 73 0.438 15.293 -4.156 1.00 0.64 N ATOM 0 H LYS A 73 4.727 11.898 -2.134 1.00 0.24 H new ATOM 0 HA LYS A 73 2.415 11.037 -0.480 1.00 0.23 H new ATOM 0 HB2 LYS A 73 3.211 13.312 -0.040 1.00 0.35 H new ATOM 0 HB3 LYS A 73 3.185 13.684 -1.753 1.00 0.35 H new ATOM 0 HG2 LYS A 73 0.567 12.784 -1.057 1.00 1.00 H new ATOM 0 HG3 LYS A 73 1.071 13.919 0.180 1.00 1.00 H new ATOM 0 HD2 LYS A 73 0.094 15.273 -1.500 1.00 0.70 H new ATOM 0 HD3 LYS A 73 1.820 15.464 -1.737 1.00 0.70 H new ATOM 0 HE2 LYS A 73 1.819 13.820 -3.528 1.00 0.43 H new ATOM 0 HE3 LYS A 73 0.141 13.421 -3.220 1.00 0.43 H new ATOM 0 HZ1 LYS A 73 0.359 14.888 -5.111 1.00 0.64 H new ATOM 0 HZ2 LYS A 73 -0.485 15.672 -3.863 1.00 0.64 H new ATOM 0 HZ3 LYS A 73 1.141 16.059 -4.162 1.00 0.64 H new ATOM 730 N ALA A 74 0.837 10.934 -2.465 1.00 0.21 N ATOM 731 CA ALA A 74 0.031 10.585 -3.629 1.00 0.22 C ATOM 732 C ALA A 74 -1.415 10.983 -3.421 1.00 0.26 C ATOM 733 O ALA A 74 -1.828 11.261 -2.308 1.00 0.41 O ATOM 734 CB ALA A 74 0.119 9.089 -3.923 1.00 0.23 C ATOM 0 H ALA A 74 0.338 10.890 -1.577 1.00 0.21 H new ATOM 0 HA ALA A 74 0.427 11.134 -4.483 1.00 0.22 H new ATOM 0 HB1 ALA A 74 -0.490 8.853 -4.795 1.00 0.23 H new ATOM 0 HB2 ALA A 74 1.156 8.817 -4.121 1.00 0.23 H new ATOM 0 HB3 ALA A 74 -0.246 8.527 -3.063 1.00 0.23 H new ATOM 740 N VAL A 75 -2.169 11.061 -4.495 1.00 0.28 N ATOM 741 CA VAL A 75 -3.610 11.162 -4.390 1.00 0.33 C ATOM 742 C VAL A 75 -4.216 9.937 -5.041 1.00 0.29 C ATOM 743 O VAL A 75 -3.825 9.557 -6.143 1.00 0.29 O ATOM 744 CB VAL A 75 -4.159 12.439 -5.049 1.00 0.43 C ATOM 745 CG1 VAL A 75 -5.653 12.576 -4.802 1.00 0.81 C ATOM 746 CG2 VAL A 75 -3.411 13.664 -4.547 1.00 0.80 C ATOM 0 H VAL A 75 -1.810 11.057 -5.450 1.00 0.28 H new ATOM 0 HA VAL A 75 -3.879 11.217 -3.335 1.00 0.33 H new ATOM 0 HB VAL A 75 -4.003 12.362 -6.125 1.00 0.43 H new ATOM 0 HG11 VAL A 75 -6.018 13.486 -5.277 1.00 0.81 H new ATOM 0 HG12 VAL A 75 -6.172 11.714 -5.222 1.00 0.81 H new ATOM 0 HG13 VAL A 75 -5.841 12.626 -3.730 1.00 0.81 H new ATOM 0 HG21 VAL A 75 -3.814 14.557 -5.025 1.00 0.80 H new ATOM 0 HG22 VAL A 75 -3.530 13.745 -3.467 1.00 0.80 H new ATOM 0 HG23 VAL A 75 -2.353 13.569 -4.790 1.00 0.80 H new ATOM 756 N TYR A 76 -5.146 9.313 -4.354 1.00 0.29 N ATOM 757 CA TYR A 76 -5.658 8.022 -4.777 1.00 0.25 C ATOM 758 C TYR A 76 -6.889 8.157 -5.655 1.00 0.29 C ATOM 759 O TYR A 76 -7.605 9.157 -5.602 1.00 0.42 O ATOM 760 CB TYR A 76 -5.956 7.128 -3.570 1.00 0.29 C ATOM 761 CG TYR A 76 -6.712 7.806 -2.453 1.00 0.38 C ATOM 762 CD1 TYR A 76 -8.087 7.965 -2.537 1.00 0.46 C ATOM 763 CD2 TYR A 76 -6.060 8.294 -1.328 1.00 0.44 C ATOM 764 CE1 TYR A 76 -8.795 8.591 -1.529 1.00 0.57 C ATOM 765 CE2 TYR A 76 -6.761 8.921 -0.316 1.00 0.56 C ATOM 766 CZ TYR A 76 -8.082 9.041 -0.375 1.00 0.64 C ATOM 767 OH TYR A 76 -8.828 9.692 0.582 1.00 0.75 O ATOM 0 H TYR A 76 -5.566 9.676 -3.498 1.00 0.29 H new ATOM 0 HA TYR A 76 -4.878 7.551 -5.376 1.00 0.25 H new ATOM 0 HB2 TYR A 76 -6.530 6.265 -3.907 1.00 0.29 H new ATOM 0 HB3 TYR A 76 -5.014 6.749 -3.175 1.00 0.29 H new ATOM 0 HD1 TYR A 76 -8.613 7.594 -3.404 1.00 0.46 H new ATOM 0 HD2 TYR A 76 -4.989 8.182 -1.243 1.00 0.44 H new ATOM 0 HE1 TYR A 76 -9.862 8.737 -1.611 1.00 0.57 H new ATOM 0 HE2 TYR A 76 -6.227 9.319 0.534 1.00 0.56 H new ATOM 0 HH TYR A 76 -9.766 9.723 0.300 1.00 0.75 H new ATOM 777 N SER A 77 -7.107 7.143 -6.476 1.00 0.25 N ATOM 778 CA SER A 77 -8.263 7.069 -7.350 1.00 0.29 C ATOM 779 C SER A 77 -8.697 5.614 -7.473 1.00 0.23 C ATOM 780 O SER A 77 -7.926 4.712 -7.141 1.00 0.26 O ATOM 781 CB SER A 77 -7.931 7.648 -8.717 1.00 0.39 C ATOM 782 OG SER A 77 -7.335 8.930 -8.590 1.00 0.98 O ATOM 0 H SER A 77 -6.480 6.342 -6.554 1.00 0.25 H new ATOM 0 HA SER A 77 -9.080 7.655 -6.928 1.00 0.29 H new ATOM 0 HB2 SER A 77 -7.253 6.978 -9.246 1.00 0.39 H new ATOM 0 HB3 SER A 77 -8.839 7.722 -9.316 1.00 0.39 H new ATOM 0 HG SER A 77 -7.128 9.284 -9.480 1.00 0.98 H new ATOM 788 N PHE A 78 -9.918 5.379 -7.933 1.00 0.20 N ATOM 789 CA PHE A 78 -10.448 4.024 -7.998 1.00 0.20 C ATOM 790 C PHE A 78 -11.019 3.712 -9.374 1.00 0.22 C ATOM 791 O PHE A 78 -11.721 4.531 -9.970 1.00 0.28 O ATOM 792 CB PHE A 78 -11.524 3.826 -6.928 1.00 0.24 C ATOM 793 CG PHE A 78 -10.999 3.915 -5.522 1.00 0.29 C ATOM 794 CD1 PHE A 78 -10.400 2.821 -4.916 1.00 0.36 C ATOM 795 CD2 PHE A 78 -11.112 5.094 -4.807 1.00 0.37 C ATOM 796 CE1 PHE A 78 -9.923 2.904 -3.622 1.00 0.46 C ATOM 797 CE2 PHE A 78 -10.635 5.185 -3.514 1.00 0.47 C ATOM 798 CZ PHE A 78 -10.018 4.074 -2.928 1.00 0.50 C ATOM 0 H PHE A 78 -10.556 6.103 -8.264 1.00 0.20 H new ATOM 0 HA PHE A 78 -9.623 3.336 -7.813 1.00 0.20 H new ATOM 0 HB2 PHE A 78 -12.302 4.577 -7.064 1.00 0.24 H new ATOM 0 HB3 PHE A 78 -11.992 2.852 -7.071 1.00 0.24 H new ATOM 0 HD1 PHE A 78 -10.305 1.894 -5.462 1.00 0.36 H new ATOM 0 HD2 PHE A 78 -11.579 5.953 -5.265 1.00 0.37 H new ATOM 0 HE1 PHE A 78 -9.473 2.039 -3.158 1.00 0.46 H new ATOM 0 HE2 PHE A 78 -10.737 6.106 -2.960 1.00 0.47 H new ATOM 0 HZ PHE A 78 -9.618 4.143 -1.927 1.00 0.50 H new ATOM 808 N ASN A 79 -10.698 2.525 -9.874 1.00 0.21 N ATOM 809 CA ASN A 79 -11.221 2.055 -11.151 1.00 0.23 C ATOM 810 C ASN A 79 -11.575 0.576 -11.060 1.00 0.26 C ATOM 811 O ASN A 79 -10.688 -0.265 -10.937 1.00 0.31 O ATOM 812 CB ASN A 79 -10.186 2.261 -12.256 1.00 0.31 C ATOM 813 CG ASN A 79 -10.694 1.838 -13.629 1.00 0.45 C ATOM 814 OD1 ASN A 79 -11.883 1.963 -13.935 1.00 0.77 O ATOM 815 ND2 ASN A 79 -9.799 1.323 -14.461 1.00 0.59 N ATOM 0 H ASN A 79 -10.073 1.866 -9.410 1.00 0.21 H new ATOM 0 HA ASN A 79 -12.118 2.628 -11.388 1.00 0.23 H new ATOM 0 HB2 ASN A 79 -9.900 3.312 -12.288 1.00 0.31 H new ATOM 0 HB3 ASN A 79 -9.287 1.693 -12.016 1.00 0.31 H new ATOM 0 HD21 ASN A 79 -10.085 1.014 -15.390 1.00 0.59 H new ATOM 0 HD22 ASN A 79 -8.825 1.236 -14.172 1.00 0.59 H new ATOM 822 N ALA A 80 -12.869 0.269 -11.104 1.00 0.28 N ATOM 823 CA ALA A 80 -13.355 -1.113 -11.067 1.00 0.38 C ATOM 824 C ALA A 80 -12.832 -1.875 -9.846 1.00 0.46 C ATOM 825 O ALA A 80 -12.499 -3.058 -9.933 1.00 0.95 O ATOM 826 CB ALA A 80 -12.978 -1.843 -12.350 1.00 0.45 C ATOM 0 H ALA A 80 -13.610 0.967 -11.166 1.00 0.28 H new ATOM 0 HA ALA A 80 -14.441 -1.073 -10.984 1.00 0.38 H new ATOM 0 HB1 ALA A 80 -13.346 -2.868 -12.307 1.00 0.45 H new ATOM 0 HB2 ALA A 80 -13.424 -1.333 -13.204 1.00 0.45 H new ATOM 0 HB3 ALA A 80 -11.893 -1.851 -12.459 1.00 0.45 H new ATOM 832 N GLY A 81 -12.762 -1.196 -8.707 1.00 0.24 N ATOM 833 CA GLY A 81 -12.294 -1.830 -7.494 1.00 0.21 C ATOM 834 C GLY A 81 -10.795 -1.708 -7.305 1.00 0.21 C ATOM 835 O GLY A 81 -10.268 -2.045 -6.248 1.00 0.31 O ATOM 0 H GLY A 81 -13.022 -0.215 -8.604 1.00 0.24 H new ATOM 0 HA2 GLY A 81 -12.800 -1.384 -6.638 1.00 0.21 H new ATOM 0 HA3 GLY A 81 -12.568 -2.885 -7.512 1.00 0.21 H new ATOM 839 N LYS A 82 -10.100 -1.230 -8.326 1.00 0.19 N ATOM 840 CA LYS A 82 -8.663 -1.049 -8.236 1.00 0.20 C ATOM 841 C LYS A 82 -8.327 0.260 -7.540 1.00 0.20 C ATOM 842 O LYS A 82 -8.872 1.313 -7.875 1.00 0.26 O ATOM 843 CB LYS A 82 -8.026 -1.076 -9.623 1.00 0.23 C ATOM 844 CG LYS A 82 -8.101 -2.430 -10.299 1.00 0.26 C ATOM 845 CD LYS A 82 -7.549 -3.514 -9.393 1.00 0.23 C ATOM 846 CE LYS A 82 -7.296 -4.802 -10.151 1.00 0.41 C ATOM 847 NZ LYS A 82 -6.183 -4.654 -11.124 1.00 1.32 N ATOM 0 H LYS A 82 -10.507 -0.962 -9.222 1.00 0.19 H new ATOM 0 HA LYS A 82 -8.259 -1.873 -7.648 1.00 0.20 H new ATOM 0 HB2 LYS A 82 -8.519 -0.336 -10.254 1.00 0.23 H new ATOM 0 HB3 LYS A 82 -6.981 -0.778 -9.539 1.00 0.23 H new ATOM 0 HG2 LYS A 82 -9.136 -2.656 -10.556 1.00 0.26 H new ATOM 0 HG3 LYS A 82 -7.538 -2.408 -11.232 1.00 0.26 H new ATOM 0 HD2 LYS A 82 -6.620 -3.170 -8.939 1.00 0.23 H new ATOM 0 HD3 LYS A 82 -8.251 -3.702 -8.580 1.00 0.23 H new ATOM 0 HE2 LYS A 82 -7.060 -5.599 -9.446 1.00 0.41 H new ATOM 0 HE3 LYS A 82 -8.203 -5.099 -10.677 1.00 0.41 H new ATOM 0 HZ1 LYS A 82 -5.724 -5.576 -11.269 1.00 1.32 H new ATOM 0 HZ2 LYS A 82 -6.558 -4.307 -12.030 1.00 1.32 H new ATOM 0 HZ3 LYS A 82 -5.487 -3.975 -10.755 1.00 1.32 H new ATOM 861 N PHE A 83 -7.430 0.178 -6.576 1.00 0.16 N ATOM 862 CA PHE A 83 -6.988 1.332 -5.812 1.00 0.16 C ATOM 863 C PHE A 83 -5.672 1.860 -6.371 1.00 0.16 C ATOM 864 O PHE A 83 -4.715 1.107 -6.563 1.00 0.17 O ATOM 865 CB PHE A 83 -6.860 0.933 -4.332 1.00 0.15 C ATOM 866 CG PHE A 83 -5.906 1.762 -3.517 1.00 0.16 C ATOM 867 CD1 PHE A 83 -6.315 2.950 -2.933 1.00 0.18 C ATOM 868 CD2 PHE A 83 -4.600 1.334 -3.318 1.00 0.19 C ATOM 869 CE1 PHE A 83 -5.438 3.696 -2.168 1.00 0.20 C ATOM 870 CE2 PHE A 83 -3.719 2.078 -2.556 1.00 0.22 C ATOM 871 CZ PHE A 83 -4.142 3.259 -1.983 1.00 0.22 C ATOM 0 H PHE A 83 -6.984 -0.696 -6.298 1.00 0.16 H new ATOM 0 HA PHE A 83 -7.719 2.137 -5.891 1.00 0.16 H new ATOM 0 HB2 PHE A 83 -7.847 0.989 -3.872 1.00 0.15 H new ATOM 0 HB3 PHE A 83 -6.543 -0.109 -4.281 1.00 0.15 H new ATOM 0 HD1 PHE A 83 -7.328 3.296 -3.077 1.00 0.18 H new ATOM 0 HD2 PHE A 83 -4.269 0.408 -3.764 1.00 0.19 H new ATOM 0 HE1 PHE A 83 -5.767 4.620 -1.716 1.00 0.20 H new ATOM 0 HE2 PHE A 83 -2.705 1.736 -2.410 1.00 0.22 H new ATOM 0 HZ PHE A 83 -3.457 3.844 -1.387 1.00 0.22 H new ATOM 881 N MET A 84 -5.637 3.154 -6.653 1.00 0.19 N ATOM 882 CA MET A 84 -4.486 3.756 -7.302 1.00 0.19 C ATOM 883 C MET A 84 -3.994 4.985 -6.561 1.00 0.24 C ATOM 884 O MET A 84 -4.534 5.364 -5.527 1.00 0.44 O ATOM 885 CB MET A 84 -4.846 4.154 -8.730 1.00 0.22 C ATOM 886 CG MET A 84 -5.545 3.063 -9.488 1.00 0.21 C ATOM 887 SD MET A 84 -5.964 3.539 -11.165 1.00 0.25 S ATOM 888 CE MET A 84 -6.469 1.947 -11.776 1.00 0.23 C ATOM 0 H MET A 84 -6.393 3.806 -6.442 1.00 0.19 H new ATOM 0 HA MET A 84 -3.689 3.013 -7.301 1.00 0.19 H new ATOM 0 HB2 MET A 84 -5.485 5.037 -8.704 1.00 0.22 H new ATOM 0 HB3 MET A 84 -3.937 4.433 -9.263 1.00 0.22 H new ATOM 0 HG2 MET A 84 -4.907 2.180 -9.515 1.00 0.21 H new ATOM 0 HG3 MET A 84 -6.455 2.783 -8.957 1.00 0.21 H new ATOM 0 HE1 MET A 84 -7.104 2.078 -12.653 1.00 0.23 H new ATOM 0 HE2 MET A 84 -5.588 1.366 -12.049 1.00 0.23 H new ATOM 0 HE3 MET A 84 -7.025 1.420 -11.001 1.00 0.23 H new ATOM 898 N GLY A 85 -2.960 5.590 -7.116 1.00 0.19 N ATOM 899 CA GLY A 85 -2.411 6.824 -6.595 1.00 0.23 C ATOM 900 C GLY A 85 -1.557 7.501 -7.643 1.00 0.30 C ATOM 901 O GLY A 85 -1.381 6.961 -8.728 1.00 0.61 O ATOM 0 H GLY A 85 -2.478 5.237 -7.943 1.00 0.19 H new ATOM 0 HA2 GLY A 85 -3.219 7.489 -6.289 1.00 0.23 H new ATOM 0 HA3 GLY A 85 -1.814 6.618 -5.707 1.00 0.23 H new ATOM 905 N ASN A 86 -1.061 8.687 -7.349 1.00 0.27 N ATOM 906 CA ASN A 86 -0.032 9.302 -8.174 1.00 0.30 C ATOM 907 C ASN A 86 0.990 9.942 -7.261 1.00 0.24 C ATOM 908 O ASN A 86 0.675 10.881 -6.528 1.00 0.23 O ATOM 909 CB ASN A 86 -0.608 10.333 -9.140 1.00 0.41 C ATOM 910 CG ASN A 86 0.342 10.609 -10.292 1.00 0.58 C ATOM 911 OD1 ASN A 86 1.558 10.471 -10.160 1.00 1.51 O ATOM 912 ND2 ASN A 86 -0.204 10.975 -11.436 1.00 0.93 N ATOM 0 H ASN A 86 -1.351 9.246 -6.547 1.00 0.27 H new ATOM 0 HA ASN A 86 0.434 8.531 -8.787 1.00 0.30 H new ATOM 0 HB2 ASN A 86 -1.560 9.975 -9.531 1.00 0.41 H new ATOM 0 HB3 ASN A 86 -0.812 11.261 -8.605 1.00 0.41 H new ATOM 0 HD21 ASN A 86 0.386 11.154 -12.249 1.00 0.93 H new ATOM 0 HD22 ASN A 86 -1.216 11.079 -11.508 1.00 0.93 H new ATOM 919 N PHE A 87 2.209 9.437 -7.311 1.00 0.23 N ATOM 920 CA PHE A 87 3.165 9.680 -6.248 1.00 0.20 C ATOM 921 C PHE A 87 4.140 10.802 -6.532 1.00 0.22 C ATOM 922 O PHE A 87 4.525 11.071 -7.669 1.00 0.30 O ATOM 923 CB PHE A 87 3.941 8.409 -5.927 1.00 0.24 C ATOM 924 CG PHE A 87 3.114 7.372 -5.227 1.00 0.20 C ATOM 925 CD1 PHE A 87 2.322 6.492 -5.945 1.00 0.23 C ATOM 926 CD2 PHE A 87 3.121 7.294 -3.846 1.00 0.23 C ATOM 927 CE1 PHE A 87 1.550 5.548 -5.299 1.00 0.27 C ATOM 928 CE2 PHE A 87 2.350 6.355 -3.190 1.00 0.27 C ATOM 929 CZ PHE A 87 1.562 5.478 -3.915 1.00 0.28 C ATOM 0 H PHE A 87 2.559 8.858 -8.074 1.00 0.23 H new ATOM 0 HA PHE A 87 2.569 9.994 -5.392 1.00 0.20 H new ATOM 0 HB2 PHE A 87 4.333 7.987 -6.852 1.00 0.24 H new ATOM 0 HB3 PHE A 87 4.798 8.662 -5.303 1.00 0.24 H new ATOM 0 HD1 PHE A 87 2.308 6.545 -7.024 1.00 0.23 H new ATOM 0 HD2 PHE A 87 3.736 7.974 -3.275 1.00 0.23 H new ATOM 0 HE1 PHE A 87 0.938 4.866 -5.870 1.00 0.27 H new ATOM 0 HE2 PHE A 87 2.362 6.305 -2.111 1.00 0.27 H new ATOM 0 HZ PHE A 87 0.959 4.742 -3.404 1.00 0.28 H new ATOM 939 N ASN A 88 4.507 11.444 -5.444 1.00 0.21 N ATOM 940 CA ASN A 88 5.584 12.412 -5.397 1.00 0.26 C ATOM 941 C ASN A 88 6.602 11.952 -4.368 1.00 0.27 C ATOM 942 O ASN A 88 6.599 12.422 -3.228 1.00 0.42 O ATOM 943 CB ASN A 88 5.079 13.800 -5.013 1.00 0.34 C ATOM 944 CG ASN A 88 4.420 14.534 -6.159 1.00 1.15 C ATOM 945 OD1 ASN A 88 3.208 14.440 -6.365 1.00 2.02 O ATOM 946 ND2 ASN A 88 5.216 15.279 -6.910 1.00 1.66 N ATOM 0 H ASN A 88 4.052 11.304 -4.542 1.00 0.21 H new ATOM 0 HA ASN A 88 6.031 12.480 -6.389 1.00 0.26 H new ATOM 0 HB2 ASN A 88 4.367 13.706 -4.193 1.00 0.34 H new ATOM 0 HB3 ASN A 88 5.915 14.394 -4.643 1.00 0.34 H new ATOM 0 HD21 ASN A 88 4.832 15.804 -7.695 1.00 1.66 H new ATOM 0 HD22 ASN A 88 6.214 15.328 -6.703 1.00 1.66 H new ATOM 953 N VAL A 89 7.451 11.017 -4.757 1.00 0.24 N ATOM 954 CA VAL A 89 8.366 10.392 -3.817 1.00 0.24 C ATOM 955 C VAL A 89 9.748 11.018 -3.885 1.00 0.30 C ATOM 956 O VAL A 89 10.279 11.287 -4.963 1.00 0.34 O ATOM 957 CB VAL A 89 8.524 8.873 -4.053 1.00 0.24 C ATOM 958 CG1 VAL A 89 8.584 8.135 -2.739 1.00 0.28 C ATOM 959 CG2 VAL A 89 7.410 8.307 -4.929 1.00 0.25 C ATOM 0 H VAL A 89 7.526 10.674 -5.715 1.00 0.24 H new ATOM 0 HA VAL A 89 7.921 10.556 -2.835 1.00 0.24 H new ATOM 0 HB VAL A 89 9.463 8.727 -4.586 1.00 0.24 H new ATOM 0 HG11 VAL A 89 8.695 7.067 -2.926 1.00 0.28 H new ATOM 0 HG12 VAL A 89 9.435 8.492 -2.159 1.00 0.28 H new ATOM 0 HG13 VAL A 89 7.665 8.311 -2.180 1.00 0.28 H new ATOM 0 HG21 VAL A 89 7.564 7.237 -5.067 1.00 0.25 H new ATOM 0 HG22 VAL A 89 6.447 8.476 -4.447 1.00 0.25 H new ATOM 0 HG23 VAL A 89 7.423 8.803 -5.899 1.00 0.25 H new ATOM 969 N LYS A 90 10.305 11.260 -2.718 1.00 0.33 N ATOM 970 CA LYS A 90 11.685 11.662 -2.574 1.00 0.41 C ATOM 971 C LYS A 90 12.456 10.465 -2.049 1.00 0.33 C ATOM 972 O LYS A 90 12.245 10.043 -0.911 1.00 0.35 O ATOM 973 CB LYS A 90 11.784 12.845 -1.606 1.00 0.54 C ATOM 974 CG LYS A 90 13.161 13.483 -1.537 1.00 0.99 C ATOM 975 CD LYS A 90 14.129 12.680 -0.680 1.00 1.48 C ATOM 976 CE LYS A 90 15.522 13.291 -0.674 1.00 2.27 C ATOM 977 NZ LYS A 90 15.565 14.588 0.053 1.00 2.81 N ATOM 0 H LYS A 90 9.805 11.182 -1.832 1.00 0.33 H new ATOM 0 HA LYS A 90 12.101 11.983 -3.529 1.00 0.41 H new ATOM 0 HB2 LYS A 90 11.059 13.603 -1.902 1.00 0.54 H new ATOM 0 HB3 LYS A 90 11.502 12.508 -0.609 1.00 0.54 H new ATOM 0 HG2 LYS A 90 13.565 13.579 -2.545 1.00 0.99 H new ATOM 0 HG3 LYS A 90 13.072 14.491 -1.132 1.00 0.99 H new ATOM 0 HD2 LYS A 90 13.752 12.627 0.341 1.00 1.48 H new ATOM 0 HD3 LYS A 90 14.183 11.658 -1.054 1.00 1.48 H new ATOM 0 HE2 LYS A 90 16.220 12.594 -0.211 1.00 2.27 H new ATOM 0 HE3 LYS A 90 15.855 13.441 -1.701 1.00 2.27 H new ATOM 0 HZ1 LYS A 90 16.543 14.942 0.075 1.00 2.81 H new ATOM 0 HZ2 LYS A 90 14.958 15.279 -0.433 1.00 2.81 H new ATOM 0 HZ3 LYS A 90 15.224 14.452 1.026 1.00 2.81 H new ATOM 991 N GLU A 91 13.312 9.890 -2.871 1.00 0.41 N ATOM 992 CA GLU A 91 13.988 8.671 -2.490 1.00 0.44 C ATOM 993 C GLU A 91 15.465 8.665 -2.886 1.00 0.46 C ATOM 994 O GLU A 91 15.872 9.235 -3.902 1.00 0.62 O ATOM 995 CB GLU A 91 13.246 7.462 -3.068 1.00 0.72 C ATOM 996 CG GLU A 91 13.387 7.239 -4.561 1.00 0.52 C ATOM 997 CD GLU A 91 12.878 8.387 -5.420 1.00 1.20 C ATOM 998 OE1 GLU A 91 13.576 9.416 -5.537 1.00 1.68 O ATOM 999 OE2 GLU A 91 11.788 8.250 -6.016 1.00 1.57 O ATOM 0 H GLU A 91 13.552 10.244 -3.797 1.00 0.41 H new ATOM 0 HA GLU A 91 13.971 8.610 -1.402 1.00 0.44 H new ATOM 0 HB2 GLU A 91 13.597 6.567 -2.554 1.00 0.72 H new ATOM 0 HB3 GLU A 91 12.186 7.568 -2.836 1.00 0.72 H new ATOM 0 HG2 GLU A 91 14.438 7.067 -4.792 1.00 0.52 H new ATOM 0 HG3 GLU A 91 12.848 6.331 -4.833 1.00 0.52 H new ATOM 1006 N VAL A 92 16.254 8.033 -2.034 1.00 0.45 N ATOM 1007 CA VAL A 92 17.696 7.916 -2.195 1.00 0.43 C ATOM 1008 C VAL A 92 18.040 6.673 -3.001 1.00 0.41 C ATOM 1009 O VAL A 92 17.212 5.793 -3.191 1.00 0.40 O ATOM 1010 CB VAL A 92 18.407 7.823 -0.831 1.00 0.44 C ATOM 1011 CG1 VAL A 92 18.156 9.056 0.003 1.00 0.53 C ATOM 1012 CG2 VAL A 92 17.966 6.590 -0.094 1.00 0.40 C ATOM 0 H VAL A 92 15.904 7.576 -1.192 1.00 0.45 H new ATOM 0 HA VAL A 92 18.036 8.810 -2.717 1.00 0.43 H new ATOM 0 HB VAL A 92 19.479 7.757 -1.015 1.00 0.44 H new ATOM 0 HG11 VAL A 92 18.671 8.960 0.959 1.00 0.53 H new ATOM 0 HG12 VAL A 92 18.530 9.934 -0.524 1.00 0.53 H new ATOM 0 HG13 VAL A 92 17.086 9.166 0.177 1.00 0.53 H new ATOM 0 HG21 VAL A 92 18.477 6.538 0.867 1.00 0.40 H new ATOM 0 HG22 VAL A 92 16.889 6.629 0.069 1.00 0.40 H new ATOM 0 HG23 VAL A 92 18.212 5.707 -0.683 1.00 0.40 H new ATOM 1022 N ASP A 93 19.239 6.624 -3.516 1.00 0.44 N ATOM 1023 CA ASP A 93 19.726 5.415 -4.162 1.00 0.45 C ATOM 1024 C ASP A 93 20.819 4.794 -3.314 1.00 0.46 C ATOM 1025 O ASP A 93 21.738 5.481 -2.870 1.00 0.57 O ATOM 1026 CB ASP A 93 20.243 5.728 -5.555 1.00 0.56 C ATOM 1027 CG ASP A 93 20.600 4.489 -6.351 1.00 1.17 C ATOM 1028 OD1 ASP A 93 21.687 3.920 -6.130 1.00 1.83 O ATOM 1029 OD2 ASP A 93 19.790 4.088 -7.213 1.00 1.78 O ATOM 0 H ASP A 93 19.902 7.399 -3.506 1.00 0.44 H new ATOM 0 HA ASP A 93 18.904 4.705 -4.259 1.00 0.45 H new ATOM 0 HB2 ASP A 93 19.487 6.295 -6.097 1.00 0.56 H new ATOM 0 HB3 ASP A 93 21.123 6.366 -5.474 1.00 0.56 H new ATOM 1034 N GLY A 94 20.710 3.500 -3.087 1.00 0.42 N ATOM 1035 CA GLY A 94 21.635 2.824 -2.200 1.00 0.43 C ATOM 1036 C GLY A 94 20.974 2.320 -0.925 1.00 0.40 C ATOM 1037 O GLY A 94 21.300 1.239 -0.439 1.00 0.48 O ATOM 0 H GLY A 94 19.996 2.900 -3.501 1.00 0.42 H new ATOM 0 HA2 GLY A 94 22.086 1.983 -2.726 1.00 0.43 H new ATOM 0 HA3 GLY A 94 22.444 3.506 -1.938 1.00 0.43 H new ATOM 1041 N CYS A 95 20.029 3.088 -0.393 1.00 0.33 N ATOM 1042 CA CYS A 95 19.339 2.716 0.846 1.00 0.31 C ATOM 1043 C CYS A 95 18.277 1.684 0.531 1.00 0.27 C ATOM 1044 O CYS A 95 17.899 0.860 1.361 1.00 0.32 O ATOM 1045 CB CYS A 95 18.710 3.950 1.491 1.00 0.33 C ATOM 1046 SG CYS A 95 18.078 3.671 3.179 1.00 0.42 S ATOM 0 H CYS A 95 19.720 3.972 -0.797 1.00 0.33 H new ATOM 0 HA CYS A 95 20.056 2.292 1.550 1.00 0.31 H new ATOM 0 HB2 CYS A 95 19.451 4.749 1.520 1.00 0.33 H new ATOM 0 HB3 CYS A 95 17.891 4.298 0.861 1.00 0.33 H new ATOM 1051 N PHE A 96 17.808 1.750 -0.696 1.00 0.24 N ATOM 1052 CA PHE A 96 16.964 0.716 -1.259 1.00 0.23 C ATOM 1053 C PHE A 96 17.845 -0.159 -2.140 1.00 0.24 C ATOM 1054 O PHE A 96 17.388 -0.722 -3.131 1.00 0.23 O ATOM 1055 CB PHE A 96 15.833 1.335 -2.097 1.00 0.24 C ATOM 1056 CG PHE A 96 15.246 2.583 -1.504 1.00 0.23 C ATOM 1057 CD1 PHE A 96 15.869 3.781 -1.729 1.00 0.30 C ATOM 1058 CD2 PHE A 96 14.104 2.570 -0.716 1.00 0.21 C ATOM 1059 CE1 PHE A 96 15.383 4.946 -1.183 1.00 0.35 C ATOM 1060 CE2 PHE A 96 13.613 3.733 -0.173 1.00 0.24 C ATOM 1061 CZ PHE A 96 14.259 4.921 -0.405 1.00 0.31 C ATOM 0 H PHE A 96 18.001 2.523 -1.333 1.00 0.24 H new ATOM 0 HA PHE A 96 16.503 0.130 -0.464 1.00 0.23 H new ATOM 0 HB2 PHE A 96 16.215 1.563 -3.092 1.00 0.24 H new ATOM 0 HB3 PHE A 96 15.041 0.597 -2.221 1.00 0.24 H new ATOM 0 HD1 PHE A 96 16.756 3.812 -2.345 1.00 0.30 H new ATOM 0 HD2 PHE A 96 13.596 1.636 -0.527 1.00 0.21 H new ATOM 0 HE1 PHE A 96 15.890 5.881 -1.369 1.00 0.35 H new ATOM 0 HE2 PHE A 96 12.721 3.712 0.435 1.00 0.24 H new ATOM 0 HZ PHE A 96 13.880 5.836 0.027 1.00 0.31 H new ATOM 1071 N MET A 97 19.125 -0.249 -1.761 1.00 0.27 N ATOM 1072 CA MET A 97 20.143 -0.916 -2.562 1.00 0.29 C ATOM 1073 C MET A 97 19.926 -0.626 -4.042 1.00 0.31 C ATOM 1074 O MET A 97 19.832 0.536 -4.444 1.00 0.40 O ATOM 1075 CB MET A 97 20.144 -2.420 -2.289 1.00 0.29 C ATOM 1076 CG MET A 97 20.449 -2.772 -0.845 1.00 0.33 C ATOM 1077 SD MET A 97 21.009 -4.477 -0.646 1.00 0.45 S ATOM 1078 CE MET A 97 19.628 -5.384 -1.335 1.00 1.22 C ATOM 0 H MET A 97 19.479 0.141 -0.888 1.00 0.27 H new ATOM 0 HA MET A 97 21.121 -0.525 -2.279 1.00 0.29 H new ATOM 0 HB2 MET A 97 19.171 -2.831 -2.557 1.00 0.29 H new ATOM 0 HB3 MET A 97 20.881 -2.898 -2.935 1.00 0.29 H new ATOM 0 HG2 MET A 97 21.215 -2.096 -0.465 1.00 0.33 H new ATOM 0 HG3 MET A 97 19.556 -2.615 -0.241 1.00 0.33 H new ATOM 0 HE1 MET A 97 19.868 -6.447 -1.362 1.00 1.22 H new ATOM 0 HE2 MET A 97 18.744 -5.227 -0.716 1.00 1.22 H new ATOM 0 HE3 MET A 97 19.430 -5.031 -2.347 1.00 1.22 H new ATOM 1088 N ASP A 98 19.836 -1.673 -4.843 1.00 0.30 N ATOM 1089 CA ASP A 98 19.450 -1.528 -6.236 1.00 0.31 C ATOM 1090 C ASP A 98 18.152 -2.259 -6.485 1.00 0.26 C ATOM 1091 O ASP A 98 17.231 -1.724 -7.099 1.00 0.25 O ATOM 1092 CB ASP A 98 20.538 -2.076 -7.162 1.00 0.40 C ATOM 1093 CG ASP A 98 21.887 -1.430 -6.931 1.00 1.01 C ATOM 1094 OD1 ASP A 98 22.121 -0.327 -7.471 1.00 1.64 O ATOM 1095 OD2 ASP A 98 22.719 -2.012 -6.206 1.00 1.19 O ATOM 0 H ASP A 98 20.025 -2.633 -4.553 1.00 0.30 H new ATOM 0 HA ASP A 98 19.318 -0.467 -6.449 1.00 0.31 H new ATOM 0 HB2 ASP A 98 20.626 -3.152 -7.014 1.00 0.40 H new ATOM 0 HB3 ASP A 98 20.239 -1.920 -8.198 1.00 0.40 H new ATOM 1100 N ALA A 99 18.058 -3.465 -5.954 1.00 0.24 N ATOM 1101 CA ALA A 99 16.937 -4.330 -6.256 1.00 0.24 C ATOM 1102 C ALA A 99 15.730 -3.954 -5.420 1.00 0.20 C ATOM 1103 O ALA A 99 14.586 -4.200 -5.802 1.00 0.20 O ATOM 1104 CB ALA A 99 17.308 -5.785 -6.043 1.00 0.28 C ATOM 0 H ALA A 99 18.744 -3.865 -5.313 1.00 0.24 H new ATOM 0 HA ALA A 99 16.677 -4.197 -7.306 1.00 0.24 H new ATOM 0 HB1 ALA A 99 16.451 -6.417 -6.276 1.00 0.28 H new ATOM 0 HB2 ALA A 99 18.140 -6.048 -6.696 1.00 0.28 H new ATOM 0 HB3 ALA A 99 17.600 -5.938 -5.004 1.00 0.28 H new ATOM 1110 N GLN A 100 16.000 -3.346 -4.279 1.00 0.18 N ATOM 1111 CA GLN A 100 14.951 -2.903 -3.382 1.00 0.16 C ATOM 1112 C GLN A 100 14.280 -1.681 -3.978 1.00 0.14 C ATOM 1113 O GLN A 100 13.073 -1.492 -3.872 1.00 0.13 O ATOM 1114 CB GLN A 100 15.534 -2.554 -2.021 1.00 0.19 C ATOM 1115 CG GLN A 100 16.564 -3.552 -1.533 1.00 0.23 C ATOM 1116 CD GLN A 100 16.849 -3.425 -0.057 1.00 0.29 C ATOM 1117 OE1 GLN A 100 17.708 -2.656 0.368 1.00 0.83 O ATOM 1118 NE2 GLN A 100 16.132 -4.192 0.735 1.00 1.27 N ATOM 0 H GLN A 100 16.945 -3.147 -3.951 1.00 0.18 H new ATOM 0 HA GLN A 100 14.222 -3.703 -3.253 1.00 0.16 H new ATOM 0 HB2 GLN A 100 15.992 -1.566 -2.073 1.00 0.19 H new ATOM 0 HB3 GLN A 100 14.725 -2.492 -1.293 1.00 0.19 H new ATOM 0 HG2 GLN A 100 16.213 -4.562 -1.745 1.00 0.23 H new ATOM 0 HG3 GLN A 100 17.490 -3.413 -2.090 1.00 0.23 H new ATOM 0 HE21 GLN A 100 15.429 -4.817 0.340 1.00 1.27 H new ATOM 0 HE22 GLN A 100 16.279 -4.162 1.744 1.00 1.27 H new ATOM 1127 N LYS A 101 15.101 -0.851 -4.593 1.00 0.16 N ATOM 1128 CA LYS A 101 14.633 0.301 -5.340 1.00 0.17 C ATOM 1129 C LYS A 101 13.736 -0.147 -6.484 1.00 0.17 C ATOM 1130 O LYS A 101 12.625 0.352 -6.651 1.00 0.17 O ATOM 1131 CB LYS A 101 15.828 1.074 -5.883 1.00 0.23 C ATOM 1132 CG LYS A 101 15.450 2.336 -6.609 1.00 0.28 C ATOM 1133 CD LYS A 101 16.684 3.038 -7.141 1.00 0.50 C ATOM 1134 CE LYS A 101 16.350 4.391 -7.735 1.00 1.21 C ATOM 1135 NZ LYS A 101 17.525 4.993 -8.411 1.00 1.85 N ATOM 0 H LYS A 101 16.115 -0.957 -4.588 1.00 0.16 H new ATOM 0 HA LYS A 101 14.057 0.948 -4.679 1.00 0.17 H new ATOM 0 HB2 LYS A 101 16.493 1.325 -5.057 1.00 0.23 H new ATOM 0 HB3 LYS A 101 16.390 0.430 -6.560 1.00 0.23 H new ATOM 0 HG2 LYS A 101 14.776 2.100 -7.433 1.00 0.28 H new ATOM 0 HG3 LYS A 101 14.909 3.001 -5.936 1.00 0.28 H new ATOM 0 HD2 LYS A 101 17.407 3.164 -6.335 1.00 0.50 H new ATOM 0 HD3 LYS A 101 17.158 2.415 -7.900 1.00 0.50 H new ATOM 0 HE2 LYS A 101 15.533 4.284 -8.449 1.00 1.21 H new ATOM 0 HE3 LYS A 101 16.000 5.059 -6.948 1.00 1.21 H new ATOM 0 HZ1 LYS A 101 17.654 5.970 -8.078 1.00 1.85 H new ATOM 0 HZ2 LYS A 101 18.375 4.437 -8.190 1.00 1.85 H new ATOM 0 HZ3 LYS A 101 17.370 4.995 -9.439 1.00 1.85 H new ATOM 1149 N ILE A 102 14.243 -1.080 -7.278 1.00 0.17 N ATOM 1150 CA ILE A 102 13.450 -1.750 -8.301 1.00 0.18 C ATOM 1151 C ILE A 102 12.134 -2.269 -7.721 1.00 0.15 C ATOM 1152 O ILE A 102 11.072 -2.053 -8.296 1.00 0.15 O ATOM 1153 CB ILE A 102 14.240 -2.918 -8.904 1.00 0.20 C ATOM 1154 CG1 ILE A 102 15.529 -2.378 -9.513 1.00 0.23 C ATOM 1155 CG2 ILE A 102 13.414 -3.656 -9.953 1.00 0.21 C ATOM 1156 CD1 ILE A 102 16.548 -3.445 -9.835 1.00 0.25 C ATOM 0 H ILE A 102 15.213 -1.393 -7.232 1.00 0.17 H new ATOM 0 HA ILE A 102 13.225 -1.023 -9.081 1.00 0.18 H new ATOM 0 HB ILE A 102 14.479 -3.634 -8.118 1.00 0.20 H new ATOM 0 HG12 ILE A 102 15.288 -1.833 -10.426 1.00 0.23 H new ATOM 0 HG13 ILE A 102 15.973 -1.662 -8.822 1.00 0.23 H new ATOM 0 HG21 ILE A 102 13.999 -4.479 -10.364 1.00 0.21 H new ATOM 0 HG22 ILE A 102 12.508 -4.049 -9.492 1.00 0.21 H new ATOM 0 HG23 ILE A 102 13.144 -2.968 -10.754 1.00 0.21 H new ATOM 0 HD11 ILE A 102 17.436 -2.982 -10.264 1.00 0.25 H new ATOM 0 HD12 ILE A 102 16.820 -3.975 -8.922 1.00 0.25 H new ATOM 0 HD13 ILE A 102 16.124 -4.149 -10.551 1.00 0.25 H new ATOM 1168 N ALA A 103 12.224 -2.944 -6.575 1.00 0.13 N ATOM 1169 CA ALA A 103 11.048 -3.430 -5.850 1.00 0.11 C ATOM 1170 C ALA A 103 10.044 -2.307 -5.623 1.00 0.10 C ATOM 1171 O ALA A 103 8.836 -2.499 -5.724 1.00 0.10 O ATOM 1172 CB ALA A 103 11.466 -3.993 -4.507 1.00 0.11 C ATOM 0 H ALA A 103 13.111 -3.169 -6.124 1.00 0.13 H new ATOM 0 HA ALA A 103 10.580 -4.208 -6.453 1.00 0.11 H new ATOM 0 HB1 ALA A 103 10.586 -4.353 -3.973 1.00 0.11 H new ATOM 0 HB2 ALA A 103 12.161 -4.819 -4.659 1.00 0.11 H new ATOM 0 HB3 ALA A 103 11.952 -3.213 -3.921 1.00 0.11 H new ATOM 1178 N ILE A 104 10.574 -1.138 -5.327 1.00 0.10 N ATOM 1179 CA ILE A 104 9.781 0.030 -5.004 1.00 0.11 C ATOM 1180 C ILE A 104 9.181 0.649 -6.255 1.00 0.12 C ATOM 1181 O ILE A 104 8.036 1.105 -6.248 1.00 0.13 O ATOM 1182 CB ILE A 104 10.663 1.036 -4.252 1.00 0.11 C ATOM 1183 CG1 ILE A 104 10.845 0.559 -2.829 1.00 0.14 C ATOM 1184 CG2 ILE A 104 10.123 2.454 -4.270 1.00 0.15 C ATOM 1185 CD1 ILE A 104 11.445 1.609 -1.953 1.00 0.17 C ATOM 0 H ILE A 104 11.580 -0.970 -5.304 1.00 0.10 H new ATOM 0 HA ILE A 104 8.947 -0.264 -4.366 1.00 0.11 H new ATOM 0 HB ILE A 104 11.620 1.079 -4.771 1.00 0.11 H new ATOM 0 HG12 ILE A 104 9.879 0.258 -2.423 1.00 0.14 H new ATOM 0 HG13 ILE A 104 11.483 -0.325 -2.823 1.00 0.14 H new ATOM 0 HG21 ILE A 104 10.799 3.108 -3.719 1.00 0.15 H new ATOM 0 HG22 ILE A 104 10.043 2.800 -5.301 1.00 0.15 H new ATOM 0 HG23 ILE A 104 9.138 2.474 -3.803 1.00 0.15 H new ATOM 0 HD11 ILE A 104 11.556 1.219 -0.941 1.00 0.17 H new ATOM 0 HD12 ILE A 104 12.423 1.892 -2.342 1.00 0.17 H new ATOM 0 HD13 ILE A 104 10.795 2.483 -1.935 1.00 0.17 H new ATOM 1197 N ASP A 105 9.955 0.649 -7.330 1.00 0.13 N ATOM 1198 CA ASP A 105 9.455 1.083 -8.629 1.00 0.16 C ATOM 1199 C ASP A 105 8.290 0.199 -9.023 1.00 0.14 C ATOM 1200 O ASP A 105 7.243 0.667 -9.480 1.00 0.17 O ATOM 1201 CB ASP A 105 10.546 0.979 -9.685 1.00 0.21 C ATOM 1202 CG ASP A 105 10.139 1.605 -11.004 1.00 0.36 C ATOM 1203 OD1 ASP A 105 9.493 0.918 -11.823 1.00 0.44 O ATOM 1204 OD2 ASP A 105 10.472 2.786 -11.230 1.00 0.53 O ATOM 0 H ASP A 105 10.931 0.354 -7.330 1.00 0.13 H new ATOM 0 HA ASP A 105 9.137 2.123 -8.560 1.00 0.16 H new ATOM 0 HB2 ASP A 105 11.449 1.467 -9.319 1.00 0.21 H new ATOM 0 HB3 ASP A 105 10.793 -0.070 -9.845 1.00 0.21 H new ATOM 1209 N LYS A 106 8.501 -1.090 -8.824 1.00 0.13 N ATOM 1210 CA LYS A 106 7.477 -2.098 -9.033 1.00 0.13 C ATOM 1211 C LYS A 106 6.244 -1.816 -8.177 1.00 0.12 C ATOM 1212 O LYS A 106 5.127 -1.771 -8.684 1.00 0.14 O ATOM 1213 CB LYS A 106 8.033 -3.469 -8.664 1.00 0.14 C ATOM 1214 CG LYS A 106 9.107 -3.983 -9.590 1.00 0.16 C ATOM 1215 CD LYS A 106 9.966 -5.032 -8.902 1.00 0.18 C ATOM 1216 CE LYS A 106 10.809 -5.804 -9.895 1.00 0.22 C ATOM 1217 NZ LYS A 106 11.796 -6.689 -9.228 1.00 0.29 N ATOM 0 H LYS A 106 9.394 -1.469 -8.511 1.00 0.13 H new ATOM 0 HA LYS A 106 7.186 -2.075 -10.083 1.00 0.13 H new ATOM 0 HB2 LYS A 106 8.436 -3.422 -7.652 1.00 0.14 H new ATOM 0 HB3 LYS A 106 7.213 -4.186 -8.647 1.00 0.14 H new ATOM 0 HG2 LYS A 106 8.649 -4.411 -10.481 1.00 0.16 H new ATOM 0 HG3 LYS A 106 9.734 -3.155 -9.920 1.00 0.16 H new ATOM 0 HD2 LYS A 106 10.615 -4.549 -8.172 1.00 0.18 H new ATOM 0 HD3 LYS A 106 9.327 -5.723 -8.353 1.00 0.18 H new ATOM 0 HE2 LYS A 106 10.158 -6.404 -10.532 1.00 0.22 H new ATOM 0 HE3 LYS A 106 11.333 -5.104 -10.545 1.00 0.22 H new ATOM 0 HZ1 LYS A 106 12.003 -7.503 -9.842 1.00 0.29 H new ATOM 0 HZ2 LYS A 106 12.672 -6.159 -9.049 1.00 0.29 H new ATOM 0 HZ3 LYS A 106 11.405 -7.027 -8.325 1.00 0.29 H new ATOM 1231 N LEU A 107 6.461 -1.603 -6.880 1.00 0.10 N ATOM 1232 CA LEU A 107 5.370 -1.394 -5.941 1.00 0.11 C ATOM 1233 C LEU A 107 4.571 -0.136 -6.284 1.00 0.10 C ATOM 1234 O LEU A 107 3.342 -0.173 -6.324 1.00 0.11 O ATOM 1235 CB LEU A 107 5.927 -1.340 -4.499 1.00 0.13 C ATOM 1236 CG LEU A 107 5.734 -0.026 -3.728 1.00 0.11 C ATOM 1237 CD1 LEU A 107 4.328 0.080 -3.160 1.00 0.13 C ATOM 1238 CD2 LEU A 107 6.763 0.088 -2.620 1.00 0.15 C ATOM 0 H LEU A 107 7.389 -1.571 -6.458 1.00 0.10 H new ATOM 0 HA LEU A 107 4.679 -2.234 -6.014 1.00 0.11 H new ATOM 0 HB2 LEU A 107 5.461 -2.141 -3.925 1.00 0.13 H new ATOM 0 HB3 LEU A 107 6.995 -1.556 -4.540 1.00 0.13 H new ATOM 0 HG LEU A 107 5.874 0.799 -4.427 1.00 0.11 H new ATOM 0 HD11 LEU A 107 4.224 1.021 -2.620 1.00 0.13 H new ATOM 0 HD12 LEU A 107 3.603 0.046 -3.974 1.00 0.13 H new ATOM 0 HD13 LEU A 107 4.147 -0.751 -2.478 1.00 0.13 H new ATOM 0 HD21 LEU A 107 6.615 1.024 -2.081 1.00 0.15 H new ATOM 0 HD22 LEU A 107 6.650 -0.749 -1.931 1.00 0.15 H new ATOM 0 HD23 LEU A 107 7.764 0.071 -3.050 1.00 0.15 H new ATOM 1250 N PHE A 108 5.263 0.958 -6.556 1.00 0.10 N ATOM 1251 CA PHE A 108 4.599 2.231 -6.820 1.00 0.11 C ATOM 1252 C PHE A 108 3.837 2.225 -8.142 1.00 0.12 C ATOM 1253 O PHE A 108 2.761 2.815 -8.245 1.00 0.14 O ATOM 1254 CB PHE A 108 5.594 3.390 -6.767 1.00 0.12 C ATOM 1255 CG PHE A 108 5.925 3.816 -5.362 1.00 0.12 C ATOM 1256 CD1 PHE A 108 4.983 3.696 -4.352 1.00 0.15 C ATOM 1257 CD2 PHE A 108 7.165 4.346 -5.053 1.00 0.17 C ATOM 1258 CE1 PHE A 108 5.270 4.094 -3.065 1.00 0.16 C ATOM 1259 CE2 PHE A 108 7.460 4.745 -3.762 1.00 0.17 C ATOM 1260 CZ PHE A 108 6.509 4.618 -2.767 1.00 0.14 C ATOM 0 H PHE A 108 6.281 0.994 -6.601 1.00 0.10 H new ATOM 0 HA PHE A 108 3.862 2.374 -6.029 1.00 0.11 H new ATOM 0 HB2 PHE A 108 6.511 3.098 -7.278 1.00 0.12 H new ATOM 0 HB3 PHE A 108 5.183 4.240 -7.311 1.00 0.12 H new ATOM 0 HD1 PHE A 108 4.010 3.285 -4.578 1.00 0.15 H new ATOM 0 HD2 PHE A 108 7.910 4.449 -5.828 1.00 0.17 H new ATOM 0 HE1 PHE A 108 4.524 3.995 -2.290 1.00 0.16 H new ATOM 0 HE2 PHE A 108 8.432 5.155 -3.532 1.00 0.17 H new ATOM 0 HZ PHE A 108 6.737 4.929 -1.758 1.00 0.14 H new ATOM 1270 N SER A 109 4.380 1.555 -9.147 1.00 0.13 N ATOM 1271 CA SER A 109 3.695 1.424 -10.418 1.00 0.14 C ATOM 1272 C SER A 109 2.463 0.533 -10.274 1.00 0.14 C ATOM 1273 O SER A 109 1.495 0.679 -11.014 1.00 0.16 O ATOM 1274 CB SER A 109 4.654 0.877 -11.473 1.00 0.17 C ATOM 1275 OG SER A 109 5.210 -0.367 -11.079 1.00 1.14 O ATOM 0 H SER A 109 5.290 1.096 -9.105 1.00 0.13 H new ATOM 0 HA SER A 109 3.355 2.408 -10.742 1.00 0.14 H new ATOM 0 HB2 SER A 109 4.125 0.757 -12.419 1.00 0.17 H new ATOM 0 HB3 SER A 109 5.455 1.596 -11.645 1.00 0.17 H new ATOM 0 HG SER A 109 5.974 -0.211 -10.486 1.00 1.14 H new ATOM 1281 N MET A 110 2.505 -0.383 -9.309 1.00 0.13 N ATOM 1282 CA MET A 110 1.378 -1.273 -9.043 1.00 0.14 C ATOM 1283 C MET A 110 0.120 -0.510 -8.680 1.00 0.14 C ATOM 1284 O MET A 110 -0.928 -0.733 -9.280 1.00 0.16 O ATOM 1285 CB MET A 110 1.687 -2.217 -7.903 1.00 0.13 C ATOM 1286 CG MET A 110 2.570 -3.383 -8.262 1.00 0.17 C ATOM 1287 SD MET A 110 2.494 -4.638 -6.984 1.00 0.23 S ATOM 1288 CE MET A 110 2.330 -3.587 -5.549 1.00 0.14 C ATOM 0 H MET A 110 3.309 -0.528 -8.698 1.00 0.13 H new ATOM 0 HA MET A 110 1.212 -1.829 -9.966 1.00 0.14 H new ATOM 0 HB2 MET A 110 2.165 -1.652 -7.103 1.00 0.13 H new ATOM 0 HB3 MET A 110 0.748 -2.601 -7.505 1.00 0.13 H new ATOM 0 HG2 MET A 110 2.255 -3.806 -9.216 1.00 0.17 H new ATOM 0 HG3 MET A 110 3.598 -3.044 -8.388 1.00 0.17 H new ATOM 0 HE1 MET A 110 2.446 -4.185 -4.645 1.00 0.14 H new ATOM 0 HE2 MET A 110 3.098 -2.814 -5.574 1.00 0.14 H new ATOM 0 HE3 MET A 110 1.345 -3.120 -5.551 1.00 0.14 H new ATOM 1298 N LEU A 111 0.217 0.380 -7.688 1.00 0.14 N ATOM 1299 CA LEU A 111 -0.956 1.121 -7.240 1.00 0.15 C ATOM 1300 C LEU A 111 -1.519 1.886 -8.410 1.00 0.17 C ATOM 1301 O LEU A 111 -2.712 1.885 -8.666 1.00 0.18 O ATOM 1302 CB LEU A 111 -0.651 2.151 -6.142 1.00 0.17 C ATOM 1303 CG LEU A 111 0.220 1.723 -4.954 1.00 0.15 C ATOM 1304 CD1 LEU A 111 0.056 0.245 -4.629 1.00 0.17 C ATOM 1305 CD2 LEU A 111 1.678 2.087 -5.200 1.00 0.15 C ATOM 0 H LEU A 111 1.080 0.599 -7.191 1.00 0.14 H new ATOM 0 HA LEU A 111 -1.649 0.384 -6.834 1.00 0.15 H new ATOM 0 HB2 LEU A 111 -0.168 3.006 -6.615 1.00 0.17 H new ATOM 0 HB3 LEU A 111 -1.603 2.503 -5.744 1.00 0.17 H new ATOM 0 HG LEU A 111 -0.122 2.273 -4.077 1.00 0.15 H new ATOM 0 HD11 LEU A 111 0.691 -0.014 -3.782 1.00 0.17 H new ATOM 0 HD12 LEU A 111 -0.985 0.041 -4.378 1.00 0.17 H new ATOM 0 HD13 LEU A 111 0.344 -0.352 -5.494 1.00 0.17 H new ATOM 0 HD21 LEU A 111 2.280 1.775 -4.346 1.00 0.15 H new ATOM 0 HD22 LEU A 111 2.033 1.581 -6.098 1.00 0.15 H new ATOM 0 HD23 LEU A 111 1.767 3.165 -5.332 1.00 0.15 H new ATOM 1317 N LYS A 112 -0.610 2.506 -9.136 1.00 0.19 N ATOM 1318 CA LYS A 112 -0.951 3.395 -10.221 1.00 0.22 C ATOM 1319 C LYS A 112 -1.515 2.629 -11.409 1.00 0.21 C ATOM 1320 O LYS A 112 -2.226 3.193 -12.242 1.00 0.24 O ATOM 1321 CB LYS A 112 0.279 4.194 -10.620 1.00 0.29 C ATOM 1322 CG LYS A 112 0.719 5.200 -9.559 1.00 0.36 C ATOM 1323 CD LYS A 112 1.640 6.241 -10.153 1.00 0.47 C ATOM 1324 CE LYS A 112 0.889 7.058 -11.184 1.00 1.22 C ATOM 1325 NZ LYS A 112 1.725 8.119 -11.804 1.00 1.82 N ATOM 0 H LYS A 112 0.394 2.404 -8.986 1.00 0.19 H new ATOM 0 HA LYS A 112 -1.730 4.080 -9.885 1.00 0.22 H new ATOM 0 HB2 LYS A 112 1.100 3.506 -10.821 1.00 0.29 H new ATOM 0 HB3 LYS A 112 0.073 4.724 -11.550 1.00 0.29 H new ATOM 0 HG2 LYS A 112 -0.156 5.686 -9.128 1.00 0.36 H new ATOM 0 HG3 LYS A 112 1.227 4.680 -8.747 1.00 0.36 H new ATOM 0 HD2 LYS A 112 2.023 6.892 -9.367 1.00 0.47 H new ATOM 0 HD3 LYS A 112 2.501 5.758 -10.615 1.00 0.47 H new ATOM 0 HE2 LYS A 112 0.516 6.394 -11.964 1.00 1.22 H new ATOM 0 HE3 LYS A 112 0.019 7.517 -10.713 1.00 1.22 H new ATOM 0 HZ1 LYS A 112 1.212 8.543 -12.603 1.00 1.82 H new ATOM 0 HZ2 LYS A 112 1.934 8.853 -11.098 1.00 1.82 H new ATOM 0 HZ3 LYS A 112 2.615 7.704 -12.146 1.00 1.82 H new ATOM 1339 N ASP A 113 -1.198 1.346 -11.482 1.00 0.20 N ATOM 1340 CA ASP A 113 -1.730 0.491 -12.525 1.00 0.22 C ATOM 1341 C ASP A 113 -3.054 -0.074 -12.050 1.00 0.21 C ATOM 1342 O ASP A 113 -3.889 -0.539 -12.827 1.00 0.24 O ATOM 1343 CB ASP A 113 -0.731 -0.625 -12.787 1.00 0.25 C ATOM 1344 CG ASP A 113 -0.942 -1.340 -14.107 1.00 0.35 C ATOM 1345 OD1 ASP A 113 -1.677 -2.349 -14.143 1.00 0.46 O ATOM 1346 OD2 ASP A 113 -0.333 -0.919 -15.111 1.00 0.51 O ATOM 0 H ASP A 113 -0.573 0.875 -10.828 1.00 0.20 H new ATOM 0 HA ASP A 113 -1.892 1.046 -13.449 1.00 0.22 H new ATOM 0 HB2 ASP A 113 0.277 -0.210 -12.767 1.00 0.25 H new ATOM 0 HB3 ASP A 113 -0.792 -1.352 -11.977 1.00 0.25 H new ATOM 1351 N GLY A 114 -3.224 0.000 -10.743 1.00 0.18 N ATOM 1352 CA GLY A 114 -4.456 -0.388 -10.109 1.00 0.17 C ATOM 1353 C GLY A 114 -4.288 -1.606 -9.233 1.00 0.15 C ATOM 1354 O GLY A 114 -4.500 -2.738 -9.679 1.00 0.18 O ATOM 0 H GLY A 114 -2.508 0.332 -10.097 1.00 0.18 H new ATOM 0 HA2 GLY A 114 -4.830 0.441 -9.508 1.00 0.17 H new ATOM 0 HA3 GLY A 114 -5.207 -0.592 -10.872 1.00 0.17 H new ATOM 1358 N VAL A 115 -3.903 -1.378 -7.987 1.00 0.14 N ATOM 1359 CA VAL A 115 -3.746 -2.450 -7.033 1.00 0.12 C ATOM 1360 C VAL A 115 -5.019 -2.558 -6.207 1.00 0.12 C ATOM 1361 O VAL A 115 -5.564 -1.555 -5.763 1.00 0.13 O ATOM 1362 CB VAL A 115 -2.509 -2.221 -6.122 1.00 0.12 C ATOM 1363 CG1 VAL A 115 -2.879 -2.118 -4.657 1.00 0.12 C ATOM 1364 CG2 VAL A 115 -1.470 -3.299 -6.346 1.00 0.14 C ATOM 0 H VAL A 115 -3.694 -0.451 -7.617 1.00 0.14 H new ATOM 0 HA VAL A 115 -3.576 -3.384 -7.568 1.00 0.12 H new ATOM 0 HB VAL A 115 -2.079 -1.260 -6.405 1.00 0.12 H new ATOM 0 HG11 VAL A 115 -1.978 -1.958 -4.065 1.00 0.12 H new ATOM 0 HG12 VAL A 115 -3.562 -1.281 -4.512 1.00 0.12 H new ATOM 0 HG13 VAL A 115 -3.364 -3.041 -4.338 1.00 0.12 H new ATOM 0 HG21 VAL A 115 -0.613 -3.118 -5.698 1.00 0.14 H new ATOM 0 HG22 VAL A 115 -1.901 -4.273 -6.115 1.00 0.14 H new ATOM 0 HG23 VAL A 115 -1.147 -3.283 -7.387 1.00 0.14 H new ATOM 1374 N VAL A 116 -5.516 -3.755 -6.041 1.00 0.12 N ATOM 1375 CA VAL A 116 -6.718 -3.949 -5.274 1.00 0.13 C ATOM 1376 C VAL A 116 -6.395 -4.555 -3.920 1.00 0.10 C ATOM 1377 O VAL A 116 -5.737 -5.590 -3.820 1.00 0.15 O ATOM 1378 CB VAL A 116 -7.748 -4.805 -6.038 1.00 0.19 C ATOM 1379 CG1 VAL A 116 -7.141 -6.101 -6.529 1.00 0.22 C ATOM 1380 CG2 VAL A 116 -8.982 -5.058 -5.185 1.00 0.23 C ATOM 0 H VAL A 116 -5.109 -4.608 -6.425 1.00 0.12 H new ATOM 0 HA VAL A 116 -7.171 -2.971 -5.111 1.00 0.13 H new ATOM 0 HB VAL A 116 -8.059 -4.242 -6.918 1.00 0.19 H new ATOM 0 HG11 VAL A 116 -7.897 -6.678 -7.063 1.00 0.22 H new ATOM 0 HG12 VAL A 116 -6.310 -5.882 -7.200 1.00 0.22 H new ATOM 0 HG13 VAL A 116 -6.778 -6.678 -5.678 1.00 0.22 H new ATOM 0 HG21 VAL A 116 -9.694 -5.664 -5.746 1.00 0.23 H new ATOM 0 HG22 VAL A 116 -8.694 -5.585 -4.276 1.00 0.23 H new ATOM 0 HG23 VAL A 116 -9.444 -4.106 -4.922 1.00 0.23 H new ATOM 1390 N LEU A 117 -6.821 -3.856 -2.888 1.00 0.11 N ATOM 1391 CA LEU A 117 -6.659 -4.310 -1.523 1.00 0.11 C ATOM 1392 C LEU A 117 -7.639 -5.451 -1.274 1.00 0.12 C ATOM 1393 O LEU A 117 -8.844 -5.271 -1.420 1.00 0.16 O ATOM 1394 CB LEU A 117 -6.875 -3.128 -0.565 1.00 0.15 C ATOM 1395 CG LEU A 117 -5.670 -2.173 -0.403 1.00 0.13 C ATOM 1396 CD1 LEU A 117 -4.955 -1.929 -1.722 1.00 0.26 C ATOM 1397 CD2 LEU A 117 -6.112 -0.841 0.182 1.00 0.24 C ATOM 0 H LEU A 117 -7.291 -2.955 -2.973 1.00 0.11 H new ATOM 0 HA LEU A 117 -5.651 -4.686 -1.347 1.00 0.11 H new ATOM 0 HB2 LEU A 117 -7.730 -2.550 -0.916 1.00 0.15 H new ATOM 0 HB3 LEU A 117 -7.138 -3.522 0.417 1.00 0.15 H new ATOM 0 HG LEU A 117 -4.973 -2.660 0.280 1.00 0.13 H new ATOM 0 HD11 LEU A 117 -4.115 -1.253 -1.561 1.00 0.26 H new ATOM 0 HD12 LEU A 117 -4.587 -2.876 -2.117 1.00 0.26 H new ATOM 0 HD13 LEU A 117 -5.649 -1.483 -2.435 1.00 0.26 H new ATOM 0 HD21 LEU A 117 -5.248 -0.185 0.287 1.00 0.24 H new ATOM 0 HD22 LEU A 117 -6.842 -0.376 -0.481 1.00 0.24 H new ATOM 0 HD23 LEU A 117 -6.564 -1.005 1.160 1.00 0.24 H new ATOM 1409 N LYS A 118 -7.092 -6.628 -0.952 1.00 0.14 N ATOM 1410 CA LYS A 118 -7.834 -7.888 -0.866 1.00 0.18 C ATOM 1411 C LYS A 118 -6.850 -9.030 -1.050 1.00 0.22 C ATOM 1412 O LYS A 118 -5.711 -8.810 -1.455 1.00 0.27 O ATOM 1413 CB LYS A 118 -8.933 -8.015 -1.937 1.00 0.20 C ATOM 1414 CG LYS A 118 -10.341 -7.763 -1.411 1.00 0.19 C ATOM 1415 CD LYS A 118 -11.403 -7.998 -2.474 1.00 0.34 C ATOM 1416 CE LYS A 118 -11.372 -6.935 -3.551 1.00 0.39 C ATOM 1417 NZ LYS A 118 -12.290 -7.263 -4.674 1.00 0.80 N ATOM 0 H LYS A 118 -6.100 -6.732 -0.740 1.00 0.14 H new ATOM 0 HA LYS A 118 -8.324 -7.917 0.107 1.00 0.18 H new ATOM 0 HB2 LYS A 118 -8.725 -7.310 -2.742 1.00 0.20 H new ATOM 0 HB3 LYS A 118 -8.891 -9.015 -2.370 1.00 0.20 H new ATOM 0 HG2 LYS A 118 -10.531 -8.416 -0.560 1.00 0.19 H new ATOM 0 HG3 LYS A 118 -10.413 -6.738 -1.048 1.00 0.19 H new ATOM 0 HD2 LYS A 118 -11.252 -8.978 -2.927 1.00 0.34 H new ATOM 0 HD3 LYS A 118 -12.387 -8.012 -2.006 1.00 0.34 H new ATOM 0 HE2 LYS A 118 -11.652 -5.973 -3.121 1.00 0.39 H new ATOM 0 HE3 LYS A 118 -10.355 -6.831 -3.930 1.00 0.39 H new ATOM 0 HZ1 LYS A 118 -12.255 -6.504 -5.384 1.00 0.80 H new ATOM 0 HZ2 LYS A 118 -11.997 -8.160 -5.111 1.00 0.80 H new ATOM 0 HZ3 LYS A 118 -13.261 -7.354 -4.313 1.00 0.80 H new ATOM 1431 N GLY A 119 -7.281 -10.237 -0.761 1.00 0.31 N ATOM 1432 CA GLY A 119 -6.423 -11.379 -0.957 1.00 0.38 C ATOM 1433 C GLY A 119 -7.166 -12.673 -0.769 1.00 0.53 C ATOM 1434 O GLY A 119 -8.353 -12.765 -1.080 1.00 0.85 O ATOM 0 H GLY A 119 -8.209 -10.450 -0.394 1.00 0.31 H new ATOM 0 HA2 GLY A 119 -5.997 -11.346 -1.960 1.00 0.38 H new ATOM 0 HA3 GLY A 119 -5.590 -11.333 -0.256 1.00 0.38 H new ATOM 1519 N THR A 125 -6.307 -7.818 7.937 1.00 0.54 N ATOM 1520 CA THR A 125 -5.095 -7.345 7.294 1.00 0.40 C ATOM 1521 C THR A 125 -5.381 -6.926 5.850 1.00 0.29 C ATOM 1522 O THR A 125 -6.257 -7.493 5.194 1.00 0.34 O ATOM 1523 CB THR A 125 -3.999 -8.436 7.313 1.00 0.39 C ATOM 1524 OG1 THR A 125 -3.822 -8.945 8.644 1.00 0.51 O ATOM 1525 CG2 THR A 125 -2.682 -7.875 6.818 1.00 0.37 C ATOM 0 HA THR A 125 -4.737 -6.480 7.852 1.00 0.40 H new ATOM 0 HB THR A 125 -4.317 -9.244 6.654 1.00 0.39 H new ATOM 0 HG1 THR A 125 -4.612 -8.733 9.183 1.00 0.51 H new ATOM 0 HG21 THR A 125 -1.923 -8.657 6.838 1.00 0.37 H new ATOM 0 HG22 THR A 125 -2.802 -7.512 5.797 1.00 0.37 H new ATOM 0 HG23 THR A 125 -2.372 -7.052 7.462 1.00 0.37 H new ATOM 1533 N ILE A 126 -4.643 -5.930 5.367 1.00 0.22 N ATOM 1534 CA ILE A 126 -4.832 -5.424 4.016 1.00 0.15 C ATOM 1535 C ILE A 126 -3.783 -6.018 3.087 1.00 0.14 C ATOM 1536 O ILE A 126 -2.610 -6.100 3.442 1.00 0.19 O ATOM 1537 CB ILE A 126 -4.734 -3.883 3.965 1.00 0.13 C ATOM 1538 CG1 ILE A 126 -5.397 -3.275 5.209 1.00 0.16 C ATOM 1539 CG2 ILE A 126 -5.396 -3.363 2.700 1.00 0.12 C ATOM 1540 CD1 ILE A 126 -5.458 -1.758 5.217 1.00 0.16 C ATOM 0 H ILE A 126 -3.908 -5.459 5.894 1.00 0.22 H new ATOM 0 HA ILE A 126 -5.831 -5.718 3.693 1.00 0.15 H new ATOM 0 HB ILE A 126 -3.684 -3.591 3.953 1.00 0.13 H new ATOM 0 HG12 ILE A 126 -6.411 -3.666 5.292 1.00 0.16 H new ATOM 0 HG13 ILE A 126 -4.854 -3.608 6.093 1.00 0.16 H new ATOM 0 HG21 ILE A 126 -5.323 -2.276 2.672 1.00 0.12 H new ATOM 0 HG22 ILE A 126 -4.895 -3.783 1.828 1.00 0.12 H new ATOM 0 HG23 ILE A 126 -6.446 -3.656 2.692 1.00 0.12 H new ATOM 0 HD11 ILE A 126 -5.942 -1.418 6.133 1.00 0.16 H new ATOM 0 HD12 ILE A 126 -4.447 -1.353 5.169 1.00 0.16 H new ATOM 0 HD13 ILE A 126 -6.029 -1.412 4.355 1.00 0.16 H new ATOM 1552 N LEU A 127 -4.197 -6.442 1.906 1.00 0.12 N ATOM 1553 CA LEU A 127 -3.279 -7.076 0.970 1.00 0.12 C ATOM 1554 C LEU A 127 -3.288 -6.344 -0.362 1.00 0.11 C ATOM 1555 O LEU A 127 -4.325 -5.868 -0.807 1.00 0.12 O ATOM 1556 CB LEU A 127 -3.642 -8.549 0.779 1.00 0.15 C ATOM 1557 CG LEU A 127 -3.924 -9.298 2.075 1.00 0.19 C ATOM 1558 CD1 LEU A 127 -4.440 -10.695 1.783 1.00 0.26 C ATOM 1559 CD2 LEU A 127 -2.668 -9.346 2.921 1.00 0.20 C ATOM 0 H LEU A 127 -5.157 -6.361 1.571 1.00 0.12 H new ATOM 0 HA LEU A 127 -2.272 -7.023 1.383 1.00 0.12 H new ATOM 0 HB2 LEU A 127 -4.520 -8.614 0.137 1.00 0.15 H new ATOM 0 HB3 LEU A 127 -2.826 -9.047 0.255 1.00 0.15 H new ATOM 0 HG LEU A 127 -4.698 -8.769 2.632 1.00 0.19 H new ATOM 0 HD11 LEU A 127 -4.636 -11.214 2.721 1.00 0.26 H new ATOM 0 HD12 LEU A 127 -5.362 -10.629 1.206 1.00 0.26 H new ATOM 0 HD13 LEU A 127 -3.693 -11.247 1.212 1.00 0.26 H new ATOM 0 HD21 LEU A 127 -2.874 -9.883 3.847 1.00 0.20 H new ATOM 0 HD22 LEU A 127 -1.879 -9.859 2.372 1.00 0.20 H new ATOM 0 HD23 LEU A 127 -2.347 -8.331 3.153 1.00 0.20 H new ATOM 1571 N ILE A 128 -2.122 -6.244 -0.973 1.00 0.11 N ATOM 1572 CA ILE A 128 -1.951 -5.491 -2.216 1.00 0.11 C ATOM 1573 C ILE A 128 -1.792 -6.430 -3.415 1.00 0.13 C ATOM 1574 O ILE A 128 -0.774 -7.120 -3.551 1.00 0.15 O ATOM 1575 CB ILE A 128 -0.723 -4.556 -2.125 1.00 0.10 C ATOM 1576 CG1 ILE A 128 -0.946 -3.479 -1.066 1.00 0.12 C ATOM 1577 CG2 ILE A 128 -0.409 -3.931 -3.471 1.00 0.11 C ATOM 1578 CD1 ILE A 128 0.230 -2.544 -0.895 1.00 0.12 C ATOM 0 H ILE A 128 -1.266 -6.678 -0.629 1.00 0.11 H new ATOM 0 HA ILE A 128 -2.849 -4.890 -2.360 1.00 0.11 H new ATOM 0 HB ILE A 128 0.137 -5.157 -1.829 1.00 0.10 H new ATOM 0 HG12 ILE A 128 -1.827 -2.896 -1.333 1.00 0.12 H new ATOM 0 HG13 ILE A 128 -1.159 -3.959 -0.111 1.00 0.12 H new ATOM 0 HG21 ILE A 128 0.459 -3.279 -3.376 1.00 0.11 H new ATOM 0 HG22 ILE A 128 -0.195 -4.716 -4.196 1.00 0.11 H new ATOM 0 HG23 ILE A 128 -1.265 -3.348 -3.810 1.00 0.11 H new ATOM 0 HD11 ILE A 128 -0.001 -1.806 -0.127 1.00 0.12 H new ATOM 0 HD12 ILE A 128 1.109 -3.116 -0.597 1.00 0.12 H new ATOM 0 HD13 ILE A 128 0.431 -2.036 -1.838 1.00 0.12 H new ATOM 1590 N GLU A 129 -2.782 -6.428 -4.299 1.00 0.15 N ATOM 1591 CA GLU A 129 -2.823 -7.359 -5.397 1.00 0.19 C ATOM 1592 C GLU A 129 -3.051 -6.628 -6.726 1.00 0.17 C ATOM 1593 O GLU A 129 -3.847 -5.695 -6.801 1.00 0.19 O ATOM 1594 CB GLU A 129 -3.949 -8.362 -5.158 1.00 0.27 C ATOM 1595 CG GLU A 129 -4.374 -9.056 -6.424 1.00 0.34 C ATOM 1596 CD GLU A 129 -5.540 -10.006 -6.244 1.00 0.80 C ATOM 1597 OE1 GLU A 129 -5.399 -10.970 -5.460 1.00 1.62 O ATOM 1598 OE2 GLU A 129 -6.608 -9.780 -6.855 1.00 0.71 O ATOM 0 H GLU A 129 -3.570 -5.781 -4.267 1.00 0.15 H new ATOM 0 HA GLU A 129 -1.867 -7.879 -5.456 1.00 0.19 H new ATOM 0 HB2 GLU A 129 -3.622 -9.105 -4.431 1.00 0.27 H new ATOM 0 HB3 GLU A 129 -4.806 -7.847 -4.724 1.00 0.27 H new ATOM 0 HG2 GLU A 129 -4.643 -8.304 -7.166 1.00 0.34 H new ATOM 0 HG3 GLU A 129 -3.525 -9.610 -6.825 1.00 0.34 H new ATOM 1605 N LYS A 130 -2.342 -7.057 -7.762 1.00 0.18 N ATOM 1606 CA LYS A 130 -2.576 -6.587 -9.123 1.00 0.21 C ATOM 1607 C LYS A 130 -1.867 -7.532 -10.089 1.00 0.29 C ATOM 1608 O LYS A 130 -0.906 -8.186 -9.703 1.00 0.31 O ATOM 1609 CB LYS A 130 -2.192 -5.087 -9.324 1.00 0.16 C ATOM 1610 CG LYS A 130 -0.702 -4.723 -9.333 1.00 0.19 C ATOM 1611 CD LYS A 130 -0.065 -4.970 -10.678 1.00 0.25 C ATOM 1612 CE LYS A 130 -0.556 -3.947 -11.674 1.00 0.25 C ATOM 1613 NZ LYS A 130 -0.103 -4.240 -13.056 1.00 0.39 N ATOM 0 H LYS A 130 -1.589 -7.740 -7.684 1.00 0.18 H new ATOM 0 HA LYS A 130 -3.645 -6.611 -9.333 1.00 0.21 H new ATOM 0 HB2 LYS A 130 -2.623 -4.755 -10.268 1.00 0.16 H new ATOM 0 HB3 LYS A 130 -2.673 -4.510 -8.534 1.00 0.16 H new ATOM 0 HG2 LYS A 130 -0.584 -3.673 -9.064 1.00 0.19 H new ATOM 0 HG3 LYS A 130 -0.182 -5.307 -8.574 1.00 0.19 H new ATOM 0 HD2 LYS A 130 1.020 -4.915 -10.592 1.00 0.25 H new ATOM 0 HD3 LYS A 130 -0.307 -5.974 -11.026 1.00 0.25 H new ATOM 0 HE2 LYS A 130 -1.645 -3.915 -11.651 1.00 0.25 H new ATOM 0 HE3 LYS A 130 -0.202 -2.959 -11.380 1.00 0.25 H new ATOM 0 HZ1 LYS A 130 -0.670 -3.688 -13.731 1.00 0.39 H new ATOM 0 HZ2 LYS A 130 0.900 -3.983 -13.154 1.00 0.39 H new ATOM 0 HZ3 LYS A 130 -0.221 -5.254 -13.252 1.00 0.39 H new ATOM 1627 N ASP A 131 -2.399 -7.654 -11.308 1.00 0.38 N ATOM 1628 CA ASP A 131 -1.940 -8.642 -12.308 1.00 0.49 C ATOM 1629 C ASP A 131 -2.569 -9.991 -12.022 1.00 0.47 C ATOM 1630 O ASP A 131 -2.262 -10.985 -12.678 1.00 0.52 O ATOM 1631 CB ASP A 131 -0.408 -8.809 -12.369 1.00 0.55 C ATOM 1632 CG ASP A 131 0.330 -7.545 -12.740 1.00 0.76 C ATOM 1633 OD1 ASP A 131 -0.114 -6.836 -13.667 1.00 1.03 O ATOM 1634 OD2 ASP A 131 1.365 -7.251 -12.100 1.00 1.13 O ATOM 0 H ASP A 131 -3.166 -7.069 -11.638 1.00 0.38 H new ATOM 0 HA ASP A 131 -2.255 -8.254 -13.277 1.00 0.49 H new ATOM 0 HB2 ASP A 131 -0.051 -9.155 -11.399 1.00 0.55 H new ATOM 0 HB3 ASP A 131 -0.165 -9.586 -13.094 1.00 0.55 H new ATOM 1639 N GLY A 132 -3.462 -10.020 -11.046 1.00 0.48 N ATOM 1640 CA GLY A 132 -4.090 -11.260 -10.657 1.00 0.51 C ATOM 1641 C GLY A 132 -3.356 -11.930 -9.515 1.00 0.45 C ATOM 1642 O GLY A 132 -3.780 -12.974 -9.017 1.00 0.52 O ATOM 0 H GLY A 132 -3.763 -9.202 -10.515 1.00 0.48 H new ATOM 0 HA2 GLY A 132 -5.122 -11.068 -10.362 1.00 0.51 H new ATOM 0 HA3 GLY A 132 -4.123 -11.934 -11.513 1.00 0.51 H new ATOM 1646 N GLU A 133 -2.252 -11.326 -9.094 1.00 0.47 N ATOM 1647 CA GLU A 133 -1.449 -11.866 -8.007 1.00 0.45 C ATOM 1648 C GLU A 133 -1.260 -10.817 -6.922 1.00 0.33 C ATOM 1649 O GLU A 133 -1.275 -9.612 -7.189 1.00 0.30 O ATOM 1650 CB GLU A 133 -0.068 -12.315 -8.491 1.00 0.54 C ATOM 1651 CG GLU A 133 0.934 -11.172 -8.549 1.00 0.56 C ATOM 1652 CD GLU A 133 2.263 -11.533 -9.175 1.00 0.76 C ATOM 1653 OE1 GLU A 133 2.908 -12.506 -8.721 1.00 1.31 O ATOM 1654 OE2 GLU A 133 2.691 -10.810 -10.100 1.00 1.24 O ATOM 0 H GLU A 133 -1.892 -10.458 -9.491 1.00 0.47 H new ATOM 0 HA GLU A 133 -1.984 -12.730 -7.613 1.00 0.45 H new ATOM 0 HB2 GLU A 133 0.311 -13.091 -7.826 1.00 0.54 H new ATOM 0 HB3 GLU A 133 -0.162 -12.761 -9.481 1.00 0.54 H new ATOM 0 HG2 GLU A 133 0.494 -10.348 -9.111 1.00 0.56 H new ATOM 0 HG3 GLU A 133 1.110 -10.809 -7.537 1.00 0.56 H new ATOM 1661 N VAL A 134 -1.094 -11.282 -5.706 1.00 0.32 N ATOM 1662 CA VAL A 134 -0.719 -10.406 -4.613 1.00 0.24 C ATOM 1663 C VAL A 134 0.791 -10.437 -4.477 1.00 0.22 C ATOM 1664 O VAL A 134 1.398 -11.504 -4.402 1.00 0.27 O ATOM 1665 CB VAL A 134 -1.384 -10.802 -3.274 1.00 0.24 C ATOM 1666 CG1 VAL A 134 -1.121 -12.248 -2.961 1.00 0.26 C ATOM 1667 CG2 VAL A 134 -0.913 -9.910 -2.137 1.00 0.21 C ATOM 0 H VAL A 134 -1.212 -12.261 -5.445 1.00 0.32 H new ATOM 0 HA VAL A 134 -1.070 -9.400 -4.843 1.00 0.24 H new ATOM 0 HB VAL A 134 -2.460 -10.662 -3.380 1.00 0.24 H new ATOM 0 HG11 VAL A 134 -1.597 -12.508 -2.015 1.00 0.26 H new ATOM 0 HG12 VAL A 134 -1.529 -12.872 -3.756 1.00 0.26 H new ATOM 0 HG13 VAL A 134 -0.046 -12.414 -2.884 1.00 0.26 H new ATOM 0 HG21 VAL A 134 -1.399 -10.215 -1.210 1.00 0.21 H new ATOM 0 HG22 VAL A 134 0.168 -10.001 -2.027 1.00 0.21 H new ATOM 0 HG23 VAL A 134 -1.169 -8.874 -2.357 1.00 0.21 H new ATOM 1677 N LYS A 135 1.408 -9.279 -4.507 1.00 0.19 N ATOM 1678 CA LYS A 135 2.848 -9.210 -4.378 1.00 0.21 C ATOM 1679 C LYS A 135 3.250 -8.199 -3.326 1.00 0.17 C ATOM 1680 O LYS A 135 4.436 -7.985 -3.084 1.00 0.18 O ATOM 1681 CB LYS A 135 3.540 -8.912 -5.719 1.00 0.29 C ATOM 1682 CG LYS A 135 2.971 -7.750 -6.517 1.00 0.34 C ATOM 1683 CD LYS A 135 1.732 -8.148 -7.301 1.00 0.29 C ATOM 1684 CE LYS A 135 1.653 -7.442 -8.648 1.00 0.52 C ATOM 1685 NZ LYS A 135 2.500 -8.092 -9.692 1.00 1.03 N ATOM 0 H LYS A 135 0.942 -8.378 -4.618 1.00 0.19 H new ATOM 0 HA LYS A 135 3.186 -10.195 -4.056 1.00 0.21 H new ATOM 0 HB2 LYS A 135 4.594 -8.713 -5.525 1.00 0.29 H new ATOM 0 HB3 LYS A 135 3.494 -9.809 -6.337 1.00 0.29 H new ATOM 0 HG2 LYS A 135 2.724 -6.932 -5.840 1.00 0.34 H new ATOM 0 HG3 LYS A 135 3.730 -7.377 -7.204 1.00 0.34 H new ATOM 0 HD2 LYS A 135 1.734 -9.227 -7.458 1.00 0.29 H new ATOM 0 HD3 LYS A 135 0.843 -7.912 -6.716 1.00 0.29 H new ATOM 0 HE2 LYS A 135 0.617 -7.427 -8.985 1.00 0.52 H new ATOM 0 HE3 LYS A 135 1.964 -6.404 -8.528 1.00 0.52 H new ATOM 0 HZ1 LYS A 135 2.306 -7.657 -10.617 1.00 1.03 H new ATOM 0 HZ2 LYS A 135 3.504 -7.965 -9.453 1.00 1.03 H new ATOM 0 HZ3 LYS A 135 2.280 -9.108 -9.734 1.00 1.03 H new ATOM 1699 N LEU A 136 2.258 -7.609 -2.684 1.00 0.14 N ATOM 1700 CA LEU A 136 2.499 -6.673 -1.612 1.00 0.14 C ATOM 1701 C LEU A 136 1.385 -6.793 -0.578 1.00 0.14 C ATOM 1702 O LEU A 136 0.315 -7.305 -0.883 1.00 0.14 O ATOM 1703 CB LEU A 136 2.540 -5.267 -2.181 1.00 0.14 C ATOM 1704 CG LEU A 136 3.613 -4.345 -1.617 1.00 0.13 C ATOM 1705 CD1 LEU A 136 5.010 -4.929 -1.807 1.00 0.16 C ATOM 1706 CD2 LEU A 136 3.503 -2.994 -2.290 1.00 0.14 C ATOM 0 H LEU A 136 1.272 -7.766 -2.892 1.00 0.14 H new ATOM 0 HA LEU A 136 3.452 -6.891 -1.131 1.00 0.14 H new ATOM 0 HB2 LEU A 136 2.681 -5.338 -3.259 1.00 0.14 H new ATOM 0 HB3 LEU A 136 1.568 -4.802 -2.017 1.00 0.14 H new ATOM 0 HG LEU A 136 3.455 -4.236 -0.544 1.00 0.13 H new ATOM 0 HD11 LEU A 136 5.750 -4.244 -1.393 1.00 0.16 H new ATOM 0 HD12 LEU A 136 5.076 -5.888 -1.294 1.00 0.16 H new ATOM 0 HD13 LEU A 136 5.203 -5.072 -2.870 1.00 0.16 H new ATOM 0 HD21 LEU A 136 4.267 -2.326 -1.893 1.00 0.14 H new ATOM 0 HD22 LEU A 136 3.645 -3.110 -3.364 1.00 0.14 H new ATOM 0 HD23 LEU A 136 2.517 -2.571 -2.098 1.00 0.14 H new ATOM 1718 N LYS A 137 1.641 -6.366 0.647 1.00 0.17 N ATOM 1719 CA LYS A 137 0.608 -6.349 1.679 1.00 0.20 C ATOM 1720 C LYS A 137 0.790 -5.151 2.589 1.00 0.18 C ATOM 1721 O LYS A 137 1.865 -4.557 2.640 1.00 0.22 O ATOM 1722 CB LYS A 137 0.642 -7.606 2.564 1.00 0.31 C ATOM 1723 CG LYS A 137 0.912 -8.909 1.836 1.00 0.35 C ATOM 1724 CD LYS A 137 0.585 -10.102 2.709 1.00 0.28 C ATOM 1725 CE LYS A 137 1.453 -10.131 3.957 1.00 0.31 C ATOM 1726 NZ LYS A 137 2.373 -11.298 3.963 1.00 0.76 N ATOM 0 H LYS A 137 2.552 -6.026 0.955 1.00 0.17 H new ATOM 0 HA LYS A 137 -0.345 -6.306 1.152 1.00 0.20 H new ATOM 0 HB2 LYS A 137 1.408 -7.471 3.328 1.00 0.31 H new ATOM 0 HB3 LYS A 137 -0.313 -7.690 3.082 1.00 0.31 H new ATOM 0 HG2 LYS A 137 0.317 -8.949 0.924 1.00 0.35 H new ATOM 0 HG3 LYS A 137 1.959 -8.951 1.536 1.00 0.35 H new ATOM 0 HD2 LYS A 137 -0.466 -10.068 2.996 1.00 0.28 H new ATOM 0 HD3 LYS A 137 0.731 -11.021 2.141 1.00 0.28 H new ATOM 0 HE2 LYS A 137 2.033 -9.210 4.017 1.00 0.31 H new ATOM 0 HE3 LYS A 137 0.817 -10.165 4.841 1.00 0.31 H new ATOM 0 HZ1 LYS A 137 2.994 -11.246 4.795 1.00 0.76 H new ATOM 0 HZ2 LYS A 137 1.818 -12.177 3.999 1.00 0.76 H new ATOM 0 HZ3 LYS A 137 2.951 -11.289 3.098 1.00 0.76 H new ATOM 1740 N LEU A 138 -0.270 -4.805 3.296 1.00 0.18 N ATOM 1741 CA LEU A 138 -0.179 -3.893 4.415 1.00 0.20 C ATOM 1742 C LEU A 138 -0.258 -4.720 5.680 1.00 0.21 C ATOM 1743 O LEU A 138 -1.273 -5.362 5.935 1.00 0.22 O ATOM 1744 CB LEU A 138 -1.292 -2.831 4.399 1.00 0.19 C ATOM 1745 CG LEU A 138 -1.313 -1.871 3.195 1.00 0.19 C ATOM 1746 CD1 LEU A 138 0.087 -1.378 2.839 1.00 0.21 C ATOM 1747 CD2 LEU A 138 -1.979 -2.523 1.996 1.00 0.17 C ATOM 0 H LEU A 138 -1.213 -5.148 3.110 1.00 0.18 H new ATOM 0 HA LEU A 138 0.762 -3.347 4.357 1.00 0.20 H new ATOM 0 HB2 LEU A 138 -2.253 -3.344 4.442 1.00 0.19 H new ATOM 0 HB3 LEU A 138 -1.207 -2.235 5.308 1.00 0.19 H new ATOM 0 HG LEU A 138 -1.901 -0.999 3.483 1.00 0.19 H new ATOM 0 HD11 LEU A 138 0.029 -0.703 1.985 1.00 0.21 H new ATOM 0 HD12 LEU A 138 0.514 -0.849 3.691 1.00 0.21 H new ATOM 0 HD13 LEU A 138 0.719 -2.229 2.587 1.00 0.21 H new ATOM 0 HD21 LEU A 138 -1.982 -1.826 1.158 1.00 0.17 H new ATOM 0 HD22 LEU A 138 -1.429 -3.422 1.718 1.00 0.17 H new ATOM 0 HD23 LEU A 138 -3.005 -2.790 2.250 1.00 0.17 H new ATOM 1759 N ILE A 139 0.835 -4.712 6.441 1.00 0.27 N ATOM 1760 CA ILE A 139 1.014 -5.551 7.618 1.00 0.30 C ATOM 1761 C ILE A 139 1.394 -6.978 7.217 1.00 0.37 C ATOM 1762 O ILE A 139 0.903 -7.518 6.223 1.00 0.42 O ATOM 1763 CB ILE A 139 -0.222 -5.614 8.528 1.00 0.27 C ATOM 1764 CG1 ILE A 139 -0.880 -4.247 8.712 1.00 0.31 C ATOM 1765 CG2 ILE A 139 0.200 -6.160 9.866 1.00 0.35 C ATOM 1766 CD1 ILE A 139 -2.311 -4.357 9.156 1.00 0.41 C ATOM 0 H ILE A 139 1.635 -4.109 6.250 1.00 0.27 H new ATOM 0 HA ILE A 139 1.818 -5.080 8.184 1.00 0.30 H new ATOM 0 HB ILE A 139 -0.962 -6.261 8.057 1.00 0.27 H new ATOM 0 HG12 ILE A 139 -0.317 -3.672 9.447 1.00 0.31 H new ATOM 0 HG13 ILE A 139 -0.835 -3.695 7.773 1.00 0.31 H new ATOM 0 HG21 ILE A 139 -0.665 -6.212 10.527 1.00 0.35 H new ATOM 0 HG22 ILE A 139 0.618 -7.158 9.736 1.00 0.35 H new ATOM 0 HG23 ILE A 139 0.953 -5.505 10.305 1.00 0.35 H new ATOM 0 HD11 ILE A 139 -2.734 -3.359 9.272 1.00 0.41 H new ATOM 0 HD12 ILE A 139 -2.882 -4.908 8.409 1.00 0.41 H new ATOM 0 HD13 ILE A 139 -2.357 -4.884 10.109 1.00 0.41 H new ATOM 1847 N GLU B 554 -15.453 -7.489 2.626 1.00 0.36 N ATOM 1848 CA GLU B 554 -14.734 -8.543 1.926 1.00 0.33 C ATOM 1849 C GLU B 554 -13.550 -9.037 2.768 1.00 0.35 C ATOM 1850 O GLU B 554 -13.349 -8.561 3.885 1.00 0.40 O ATOM 1851 CB GLU B 554 -14.285 -8.002 0.565 1.00 0.32 C ATOM 1852 CG GLU B 554 -13.824 -9.054 -0.422 1.00 0.29 C ATOM 1853 CD GLU B 554 -14.710 -10.282 -0.443 1.00 0.46 C ATOM 1854 OE1 GLU B 554 -15.691 -10.289 -1.217 1.00 0.65 O ATOM 1855 OE2 GLU B 554 -14.436 -11.234 0.314 1.00 0.63 O ATOM 0 HA GLU B 554 -15.384 -9.403 1.765 1.00 0.33 H new ATOM 0 HB2 GLU B 554 -15.111 -7.446 0.121 1.00 0.32 H new ATOM 0 HB3 GLU B 554 -13.472 -7.293 0.723 1.00 0.32 H new ATOM 0 HG2 GLU B 554 -13.795 -8.618 -1.421 1.00 0.29 H new ATOM 0 HG3 GLU B 554 -12.805 -9.353 -0.175 1.00 0.29 H new ATOM 1862 N THR B 555 -12.803 -10.004 2.241 1.00 0.33 N ATOM 1863 CA THR B 555 -11.621 -10.560 2.891 1.00 0.35 C ATOM 1864 C THR B 555 -10.698 -9.435 3.383 1.00 0.34 C ATOM 1865 O THR B 555 -10.121 -9.505 4.466 1.00 0.45 O ATOM 1866 CB THR B 555 -10.906 -11.506 1.895 1.00 0.36 C ATOM 1867 OG1 THR B 555 -9.854 -12.224 2.533 1.00 0.45 O ATOM 1868 CG2 THR B 555 -10.364 -10.738 0.701 1.00 0.30 C ATOM 0 H THR B 555 -13.006 -10.429 1.336 1.00 0.33 H new ATOM 0 HA THR B 555 -11.910 -11.135 3.771 1.00 0.35 H new ATOM 0 HB THR B 555 -11.647 -12.222 1.538 1.00 0.36 H new ATOM 0 HG1 THR B 555 -9.420 -12.815 1.883 1.00 0.45 H new ATOM 0 HG21 THR B 555 -9.867 -11.428 0.019 1.00 0.30 H new ATOM 0 HG22 THR B 555 -11.186 -10.244 0.182 1.00 0.30 H new ATOM 0 HG23 THR B 555 -9.649 -9.990 1.044 1.00 0.30 H new ATOM 1876 N THR B 556 -10.610 -8.389 2.589 1.00 0.26 N ATOM 1877 CA THR B 556 -9.951 -7.166 2.986 1.00 0.23 C ATOM 1878 C THR B 556 -10.765 -6.004 2.473 1.00 0.21 C ATOM 1879 O THR B 556 -11.141 -5.100 3.217 1.00 0.22 O ATOM 1880 CB THR B 556 -8.542 -7.051 2.395 1.00 0.20 C ATOM 1881 OG1 THR B 556 -7.691 -8.079 2.904 1.00 0.24 O ATOM 1882 CG2 THR B 556 -7.958 -5.689 2.702 1.00 0.20 C ATOM 0 H THR B 556 -10.996 -8.365 1.645 1.00 0.26 H new ATOM 0 HA THR B 556 -9.868 -7.165 4.073 1.00 0.23 H new ATOM 0 HB THR B 556 -8.613 -7.171 1.314 1.00 0.20 H new ATOM 0 HG1 THR B 556 -7.225 -7.752 3.702 1.00 0.24 H new ATOM 0 HG21 THR B 556 -6.957 -5.618 2.277 1.00 0.20 H new ATOM 0 HG22 THR B 556 -8.592 -4.915 2.268 1.00 0.20 H new ATOM 0 HG23 THR B 556 -7.905 -5.551 3.782 1.00 0.20 H new ATOM 1890 N LEU B 557 -11.026 -6.072 1.174 1.00 0.20 N ATOM 1891 CA LEU B 557 -11.798 -5.082 0.464 1.00 0.19 C ATOM 1892 C LEU B 557 -11.019 -3.789 0.334 1.00 0.17 C ATOM 1893 O LEU B 557 -9.798 -3.799 0.427 1.00 0.18 O ATOM 1894 CB LEU B 557 -13.136 -4.828 1.144 1.00 0.21 C ATOM 1895 CG LEU B 557 -14.319 -4.764 0.192 1.00 0.21 C ATOM 1896 CD1 LEU B 557 -15.145 -3.547 0.518 1.00 0.23 C ATOM 1897 CD2 LEU B 557 -13.848 -4.763 -1.261 1.00 0.20 C ATOM 0 H LEU B 557 -10.697 -6.834 0.581 1.00 0.20 H new ATOM 0 HA LEU B 557 -11.997 -5.472 -0.534 1.00 0.19 H new ATOM 0 HB2 LEU B 557 -13.315 -5.617 1.874 1.00 0.21 H new ATOM 0 HB3 LEU B 557 -13.078 -3.890 1.696 1.00 0.21 H new ATOM 0 HG LEU B 557 -14.941 -5.650 0.317 1.00 0.21 H new ATOM 0 HD11 LEU B 557 -15.996 -3.493 -0.160 1.00 0.23 H new ATOM 0 HD12 LEU B 557 -15.503 -3.615 1.545 1.00 0.23 H new ATOM 0 HD13 LEU B 557 -14.534 -2.652 0.405 1.00 0.23 H new ATOM 0 HD21 LEU B 557 -14.712 -4.717 -1.924 1.00 0.20 H new ATOM 0 HD22 LEU B 557 -13.210 -3.897 -1.436 1.00 0.20 H new ATOM 0 HD23 LEU B 557 -13.285 -5.675 -1.462 1.00 0.20 H new ATOM 1909 N LEU B 558 -11.759 -2.690 0.164 1.00 0.18 N ATOM 1910 CA LEU B 558 -11.210 -1.356 -0.097 1.00 0.18 C ATOM 1911 C LEU B 558 -11.095 -1.138 -1.592 1.00 0.19 C ATOM 1912 O LEU B 558 -10.013 -0.935 -2.139 1.00 0.23 O ATOM 1913 CB LEU B 558 -9.863 -1.107 0.607 1.00 0.16 C ATOM 1914 CG LEU B 558 -9.923 -0.889 2.127 1.00 0.16 C ATOM 1915 CD1 LEU B 558 -10.836 -1.888 2.801 1.00 0.17 C ATOM 1916 CD2 LEU B 558 -8.536 -0.998 2.723 1.00 0.16 C ATOM 0 H LEU B 558 -12.778 -2.703 0.205 1.00 0.18 H new ATOM 0 HA LEU B 558 -11.903 -0.629 0.326 1.00 0.18 H new ATOM 0 HB2 LEU B 558 -9.210 -1.957 0.408 1.00 0.16 H new ATOM 0 HB3 LEU B 558 -9.396 -0.233 0.154 1.00 0.16 H new ATOM 0 HG LEU B 558 -10.324 0.110 2.298 1.00 0.16 H new ATOM 0 HD11 LEU B 558 -10.851 -1.700 3.875 1.00 0.17 H new ATOM 0 HD12 LEU B 558 -11.845 -1.787 2.401 1.00 0.17 H new ATOM 0 HD13 LEU B 558 -10.471 -2.898 2.614 1.00 0.17 H new ATOM 0 HD21 LEU B 558 -8.590 -0.842 3.800 1.00 0.16 H new ATOM 0 HD22 LEU B 558 -8.129 -1.989 2.520 1.00 0.16 H new ATOM 0 HD23 LEU B 558 -7.889 -0.242 2.279 1.00 0.16 H new ATOM 1928 N GLU B 559 -12.245 -1.196 -2.241 1.00 0.19 N ATOM 1929 CA GLU B 559 -12.332 -0.999 -3.677 1.00 0.21 C ATOM 1930 C GLU B 559 -12.847 0.389 -3.985 1.00 0.24 C ATOM 1931 O GLU B 559 -12.732 0.882 -5.103 1.00 0.31 O ATOM 1932 CB GLU B 559 -13.227 -2.061 -4.309 1.00 0.22 C ATOM 1933 CG GLU B 559 -12.546 -3.405 -4.433 1.00 0.25 C ATOM 1934 CD GLU B 559 -13.415 -4.443 -5.105 1.00 0.29 C ATOM 1935 OE1 GLU B 559 -14.560 -4.652 -4.647 1.00 0.33 O ATOM 1936 OE2 GLU B 559 -12.979 -5.033 -6.114 1.00 0.38 O ATOM 0 H GLU B 559 -13.141 -1.380 -1.790 1.00 0.19 H new ATOM 0 HA GLU B 559 -11.334 -1.098 -4.104 1.00 0.21 H new ATOM 0 HB2 GLU B 559 -14.131 -2.171 -3.710 1.00 0.22 H new ATOM 0 HB3 GLU B 559 -13.539 -1.725 -5.298 1.00 0.22 H new ATOM 0 HG2 GLU B 559 -11.623 -3.288 -5.001 1.00 0.25 H new ATOM 0 HG3 GLU B 559 -12.267 -3.759 -3.440 1.00 0.25 H new ATOM 1943 N ASP B 560 -13.401 1.007 -2.964 1.00 0.25 N ATOM 1944 CA ASP B 560 -13.885 2.376 -3.040 1.00 0.31 C ATOM 1945 C ASP B 560 -13.482 3.078 -1.766 1.00 0.25 C ATOM 1946 O ASP B 560 -13.260 2.408 -0.761 1.00 0.26 O ATOM 1947 CB ASP B 560 -15.412 2.440 -3.189 1.00 0.45 C ATOM 1948 CG ASP B 560 -15.928 1.699 -4.405 1.00 0.74 C ATOM 1949 OD1 ASP B 560 -15.938 2.288 -5.507 1.00 0.90 O ATOM 1950 OD2 ASP B 560 -16.311 0.519 -4.263 1.00 0.95 O ATOM 0 H ASP B 560 -13.531 0.574 -2.050 1.00 0.25 H new ATOM 0 HA ASP B 560 -13.451 2.854 -3.918 1.00 0.31 H new ATOM 0 HB2 ASP B 560 -15.875 2.023 -2.295 1.00 0.45 H new ATOM 0 HB3 ASP B 560 -15.720 3.484 -3.250 1.00 0.45 H new ATOM 1955 N GLU B 561 -13.390 4.398 -1.775 1.00 0.26 N ATOM 1956 CA GLU B 561 -12.985 5.115 -0.572 1.00 0.26 C ATOM 1957 C GLU B 561 -13.985 4.841 0.545 1.00 0.26 C ATOM 1958 O GLU B 561 -13.612 4.613 1.694 1.00 0.29 O ATOM 1959 CB GLU B 561 -12.878 6.621 -0.823 1.00 0.30 C ATOM 1960 CG GLU B 561 -12.387 7.378 0.397 1.00 0.35 C ATOM 1961 CD GLU B 561 -12.414 8.878 0.221 1.00 0.45 C ATOM 1962 OE1 GLU B 561 -13.519 9.460 0.170 1.00 0.68 O ATOM 1963 OE2 GLU B 561 -11.331 9.486 0.155 1.00 0.69 O ATOM 0 H GLU B 561 -13.586 4.988 -2.584 1.00 0.26 H new ATOM 0 HA GLU B 561 -11.998 4.758 -0.279 1.00 0.26 H new ATOM 0 HB2 GLU B 561 -12.198 6.800 -1.656 1.00 0.30 H new ATOM 0 HB3 GLU B 561 -13.853 7.007 -1.119 1.00 0.30 H new ATOM 0 HG2 GLU B 561 -13.003 7.109 1.255 1.00 0.35 H new ATOM 0 HG3 GLU B 561 -11.368 7.064 0.625 1.00 0.35 H new ATOM 1970 N LYS B 562 -15.251 4.818 0.161 1.00 0.30 N ATOM 1971 CA LYS B 562 -16.364 4.544 1.067 1.00 0.39 C ATOM 1972 C LYS B 562 -16.100 3.321 1.940 1.00 0.34 C ATOM 1973 O LYS B 562 -16.293 3.359 3.149 1.00 0.40 O ATOM 1974 CB LYS B 562 -17.615 4.292 0.228 1.00 0.51 C ATOM 1975 CG LYS B 562 -18.894 4.103 1.025 1.00 0.74 C ATOM 1976 CD LYS B 562 -19.386 5.409 1.616 1.00 1.73 C ATOM 1977 CE LYS B 562 -20.781 5.257 2.199 1.00 2.39 C ATOM 1978 NZ LYS B 562 -21.760 4.790 1.178 1.00 3.03 N ATOM 0 H LYS B 562 -15.543 4.991 -0.801 1.00 0.30 H new ATOM 0 HA LYS B 562 -16.492 5.403 1.726 1.00 0.39 H new ATOM 0 HB2 LYS B 562 -17.751 5.130 -0.455 1.00 0.51 H new ATOM 0 HB3 LYS B 562 -17.451 3.405 -0.384 1.00 0.51 H new ATOM 0 HG2 LYS B 562 -19.665 3.682 0.380 1.00 0.74 H new ATOM 0 HG3 LYS B 562 -18.721 3.384 1.826 1.00 0.74 H new ATOM 0 HD2 LYS B 562 -18.698 5.741 2.394 1.00 1.73 H new ATOM 0 HD3 LYS B 562 -19.393 6.180 0.846 1.00 1.73 H new ATOM 0 HE2 LYS B 562 -20.754 4.549 3.027 1.00 2.39 H new ATOM 0 HE3 LYS B 562 -21.110 6.212 2.608 1.00 2.39 H new ATOM 0 HZ1 LYS B 562 -22.724 5.031 1.485 1.00 3.03 H new ATOM 0 HZ2 LYS B 562 -21.561 5.253 0.268 1.00 3.03 H new ATOM 0 HZ3 LYS B 562 -21.680 3.759 1.066 1.00 3.03 H new ATOM 1992 N SER B 563 -15.633 2.249 1.324 1.00 0.27 N ATOM 1993 CA SER B 563 -15.386 1.005 2.038 1.00 0.24 C ATOM 1994 C SER B 563 -13.947 0.938 2.530 1.00 0.21 C ATOM 1995 O SER B 563 -13.620 0.189 3.449 1.00 0.20 O ATOM 1996 CB SER B 563 -15.711 -0.181 1.131 1.00 0.27 C ATOM 1997 OG SER B 563 -15.123 -0.021 -0.154 1.00 0.91 O ATOM 0 H SER B 563 -15.416 2.214 0.328 1.00 0.27 H new ATOM 0 HA SER B 563 -16.034 0.965 2.914 1.00 0.24 H new ATOM 0 HB2 SER B 563 -15.348 -1.102 1.588 1.00 0.27 H new ATOM 0 HB3 SER B 563 -16.792 -0.280 1.030 1.00 0.27 H new ATOM 0 HG SER B 563 -15.345 -0.794 -0.714 1.00 0.91 H new ATOM 2003 N LEU B 564 -13.107 1.758 1.928 1.00 0.20 N ATOM 2004 CA LEU B 564 -11.695 1.786 2.232 1.00 0.19 C ATOM 2005 C LEU B 564 -11.513 2.428 3.598 1.00 0.21 C ATOM 2006 O LEU B 564 -10.852 1.884 4.478 1.00 0.21 O ATOM 2007 CB LEU B 564 -10.958 2.588 1.161 1.00 0.19 C ATOM 2008 CG LEU B 564 -9.480 2.236 0.944 1.00 0.17 C ATOM 2009 CD1 LEU B 564 -8.877 3.115 -0.121 1.00 0.21 C ATOM 2010 CD2 LEU B 564 -8.667 2.373 2.204 1.00 0.18 C ATOM 0 H LEU B 564 -13.390 2.426 1.211 1.00 0.20 H new ATOM 0 HA LEU B 564 -11.286 0.776 2.246 1.00 0.19 H new ATOM 0 HB2 LEU B 564 -11.483 2.458 0.215 1.00 0.19 H new ATOM 0 HB3 LEU B 564 -11.024 3.645 1.419 1.00 0.19 H new ATOM 0 HG LEU B 564 -9.454 1.192 0.631 1.00 0.17 H new ATOM 0 HD11 LEU B 564 -7.829 2.850 -0.261 1.00 0.21 H new ATOM 0 HD12 LEU B 564 -9.415 2.973 -1.058 1.00 0.21 H new ATOM 0 HD13 LEU B 564 -8.950 4.159 0.184 1.00 0.21 H new ATOM 0 HD21 LEU B 564 -7.629 2.113 1.997 1.00 0.18 H new ATOM 0 HD22 LEU B 564 -8.719 3.402 2.561 1.00 0.18 H new ATOM 0 HD23 LEU B 564 -9.064 1.704 2.968 1.00 0.18 H new ATOM 2022 N VAL B 565 -12.154 3.572 3.778 1.00 0.23 N ATOM 2023 CA VAL B 565 -12.053 4.314 5.019 1.00 0.26 C ATOM 2024 C VAL B 565 -12.881 3.655 6.098 1.00 0.28 C ATOM 2025 O VAL B 565 -12.513 3.689 7.260 1.00 0.32 O ATOM 2026 CB VAL B 565 -12.486 5.784 4.834 1.00 0.29 C ATOM 2027 CG1 VAL B 565 -11.936 6.292 3.532 1.00 0.28 C ATOM 2028 CG2 VAL B 565 -13.998 5.952 4.857 1.00 0.30 C ATOM 0 H VAL B 565 -12.752 4.006 3.075 1.00 0.23 H new ATOM 0 HA VAL B 565 -11.007 4.309 5.324 1.00 0.26 H new ATOM 0 HB VAL B 565 -12.089 6.360 5.670 1.00 0.29 H new ATOM 0 HG11 VAL B 565 -12.236 7.330 3.391 1.00 0.28 H new ATOM 0 HG12 VAL B 565 -10.848 6.227 3.547 1.00 0.28 H new ATOM 0 HG13 VAL B 565 -12.324 5.687 2.712 1.00 0.28 H new ATOM 0 HG21 VAL B 565 -14.249 7.004 4.723 1.00 0.30 H new ATOM 0 HG22 VAL B 565 -14.441 5.367 4.051 1.00 0.30 H new ATOM 0 HG23 VAL B 565 -14.388 5.605 5.814 1.00 0.30 H new ATOM 2038 N SER B 566 -13.976 3.018 5.703 1.00 0.28 N ATOM 2039 CA SER B 566 -14.798 2.260 6.633 1.00 0.30 C ATOM 2040 C SER B 566 -13.993 1.119 7.235 1.00 0.30 C ATOM 2041 O SER B 566 -14.347 0.558 8.273 1.00 0.35 O ATOM 2042 CB SER B 566 -16.019 1.714 5.911 1.00 0.31 C ATOM 2043 OG SER B 566 -16.914 2.757 5.567 1.00 0.75 O ATOM 0 H SER B 566 -14.315 3.012 4.741 1.00 0.28 H new ATOM 0 HA SER B 566 -15.124 2.919 7.438 1.00 0.30 H new ATOM 0 HB2 SER B 566 -15.707 1.186 5.010 1.00 0.31 H new ATOM 0 HB3 SER B 566 -16.527 0.988 6.546 1.00 0.31 H new ATOM 0 HG SER B 566 -16.571 3.238 4.785 1.00 0.75 H new ATOM 2049 N TYR B 567 -12.899 0.801 6.576 1.00 0.26 N ATOM 2050 CA TYR B 567 -12.005 -0.246 7.016 1.00 0.25 C ATOM 2051 C TYR B 567 -10.746 0.364 7.632 1.00 0.26 C ATOM 2052 O TYR B 567 -10.133 -0.219 8.515 1.00 0.28 O ATOM 2053 CB TYR B 567 -11.665 -1.112 5.813 1.00 0.23 C ATOM 2054 CG TYR B 567 -10.810 -2.316 6.103 1.00 0.22 C ATOM 2055 CD1 TYR B 567 -11.374 -3.500 6.549 1.00 0.23 C ATOM 2056 CD2 TYR B 567 -9.442 -2.274 5.891 1.00 0.24 C ATOM 2057 CE1 TYR B 567 -10.597 -4.615 6.784 1.00 0.25 C ATOM 2058 CE2 TYR B 567 -8.655 -3.384 6.126 1.00 0.25 C ATOM 2059 CZ TYR B 567 -9.236 -4.553 6.574 1.00 0.24 C ATOM 2060 OH TYR B 567 -8.455 -5.663 6.807 1.00 0.29 O ATOM 0 H TYR B 567 -12.605 1.264 5.716 1.00 0.26 H new ATOM 0 HA TYR B 567 -12.479 -0.859 7.782 1.00 0.25 H new ATOM 0 HB2 TYR B 567 -12.595 -1.450 5.356 1.00 0.23 H new ATOM 0 HB3 TYR B 567 -11.153 -0.494 5.075 1.00 0.23 H new ATOM 0 HD1 TYR B 567 -12.440 -3.551 6.715 1.00 0.23 H new ATOM 0 HD2 TYR B 567 -8.985 -1.362 5.537 1.00 0.24 H new ATOM 0 HE1 TYR B 567 -11.052 -5.531 7.130 1.00 0.25 H new ATOM 0 HE2 TYR B 567 -7.589 -3.338 5.960 1.00 0.25 H new ATOM 0 HH TYR B 567 -7.519 -5.452 6.609 1.00 0.29 H new ATOM 2070 N LEU B 568 -10.374 1.544 7.142 1.00 0.26 N ATOM 2071 CA LEU B 568 -9.228 2.293 7.655 1.00 0.29 C ATOM 2072 C LEU B 568 -9.513 2.982 8.978 1.00 0.35 C ATOM 2073 O LEU B 568 -8.601 3.232 9.761 1.00 0.39 O ATOM 2074 CB LEU B 568 -8.856 3.359 6.661 1.00 0.28 C ATOM 2075 CG LEU B 568 -7.578 3.132 5.886 1.00 0.25 C ATOM 2076 CD1 LEU B 568 -7.450 1.684 5.432 1.00 0.23 C ATOM 2077 CD2 LEU B 568 -7.600 4.059 4.706 1.00 0.26 C ATOM 0 H LEU B 568 -10.860 2.010 6.376 1.00 0.26 H new ATOM 0 HA LEU B 568 -8.425 1.572 7.811 1.00 0.29 H new ATOM 0 HB2 LEU B 568 -9.674 3.464 5.949 1.00 0.28 H new ATOM 0 HB3 LEU B 568 -8.771 4.307 7.191 1.00 0.28 H new ATOM 0 HG LEU B 568 -6.716 3.335 6.521 1.00 0.25 H new ATOM 0 HD11 LEU B 568 -6.520 1.557 4.878 1.00 0.23 H new ATOM 0 HD12 LEU B 568 -7.446 1.029 6.303 1.00 0.23 H new ATOM 0 HD13 LEU B 568 -8.293 1.428 4.790 1.00 0.23 H new ATOM 0 HD21 LEU B 568 -6.691 3.924 4.120 1.00 0.26 H new ATOM 0 HD22 LEU B 568 -8.468 3.837 4.085 1.00 0.26 H new ATOM 0 HD23 LEU B 568 -7.657 5.090 5.054 1.00 0.26 H new ATOM 2089 N ASN B 569 -10.758 3.356 9.196 1.00 0.38 N ATOM 2090 CA ASN B 569 -11.131 4.019 10.442 1.00 0.46 C ATOM 2091 C ASN B 569 -11.519 2.991 11.503 1.00 0.50 C ATOM 2092 O ASN B 569 -11.252 3.193 12.687 1.00 0.74 O ATOM 2093 CB ASN B 569 -12.272 5.022 10.217 1.00 0.52 C ATOM 2094 CG ASN B 569 -13.649 4.392 10.291 1.00 0.54 C ATOM 2095 OD1 ASN B 569 -14.455 4.742 11.150 1.00 0.68 O ATOM 2096 ND2 ASN B 569 -13.928 3.457 9.401 1.00 0.44 N ATOM 0 H ASN B 569 -11.525 3.217 8.538 1.00 0.38 H new ATOM 0 HA ASN B 569 -10.263 4.574 10.799 1.00 0.46 H new ATOM 0 HB2 ASN B 569 -12.202 5.814 10.963 1.00 0.52 H new ATOM 0 HB3 ASN B 569 -12.147 5.491 9.241 1.00 0.52 H new ATOM 0 HD21 ASN B 569 -14.839 2.998 9.412 1.00 0.44 H new ATOM 0 HD22 ASN B 569 -13.232 3.194 8.703 1.00 0.44 H new ATOM 2103 N TYR B 570 -12.114 1.887 11.033 1.00 0.50 N ATOM 2104 CA TYR B 570 -12.592 0.774 11.872 1.00 0.59 C ATOM 2105 C TYR B 570 -13.012 1.211 13.276 1.00 0.90 C ATOM 2106 O TYR B 570 -12.213 1.073 14.222 1.00 1.34 O ATOM 2107 CB TYR B 570 -11.562 -0.370 11.920 1.00 0.39 C ATOM 2108 CG TYR B 570 -10.125 0.051 12.170 1.00 0.42 C ATOM 2109 CD1 TYR B 570 -9.353 0.623 11.165 1.00 0.36 C ATOM 2110 CD2 TYR B 570 -9.551 -0.101 13.423 1.00 0.66 C ATOM 2111 CE1 TYR B 570 -8.054 1.021 11.402 1.00 0.53 C ATOM 2112 CE2 TYR B 570 -8.257 0.297 13.668 1.00 0.87 C ATOM 2113 CZ TYR B 570 -7.479 0.789 12.595 1.00 0.79 C ATOM 2114 OH TYR B 570 -6.212 1.248 12.901 1.00 1.04 O ATOM 2115 OXT TYR B 570 -14.153 1.693 13.427 1.00 1.66 O ATOM 0 H TYR B 570 -12.281 1.737 10.038 1.00 0.50 H new ATOM 0 HA TYR B 570 -13.497 0.398 11.394 1.00 0.59 H new ATOM 0 HB2 TYR B 570 -11.858 -1.069 12.702 1.00 0.39 H new ATOM 0 HB3 TYR B 570 -11.604 -0.912 10.975 1.00 0.39 H new ATOM 0 HD1 TYR B 570 -9.778 0.758 10.181 1.00 0.36 H new ATOM 0 HD2 TYR B 570 -10.131 -0.540 14.222 1.00 0.66 H new ATOM 0 HE1 TYR B 570 -7.496 1.522 10.625 1.00 0.53 H new ATOM 0 HE2 TYR B 570 -7.843 0.235 14.663 1.00 0.87 H new ATOM 0 HH TYR B 570 -5.977 0.977 13.813 1.00 1.04 H new