USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 700 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 34 GLN : amide:sc= -3.09! C(o=-1.9!,f=-3!) USER MOD Set 1.2: A 68 THR OG1 : rot 76:sc= 1.22 USER MOD Single : A 5 LYS NZ :NH3+ -157:sc= 0.664 (180deg=-0.695) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN :FLIP amide:sc= 0.00988 F(o=-1.5,f=0.0099) USER MOD Single : A 15 LYS NZ :NH3+ 148:sc= -0.0202 (180deg=-0.545) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -51:sc= 0.0967 USER MOD Single : A 45 LYS NZ :NH3+ -120:sc= -0.563 (180deg=-1.41!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 170:sc= -0.0826 USER MOD Single : A 55 GLN : amide:sc= -0.0154 K(o=-0.015,f=-2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0.0685 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 67 HIS : no HD1:sc= -0.296 X(o=-0.3,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -0.0931 X(o=-0.093,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= -0.773 USER MOD Single : A 93 THR OG1 : rot 89:sc= 0.364 USER MOD Single : A 94 THR OG1 : rot 48:sc= 0.91 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 3.458 2.312 -0.528 1.00 32.25 N ATOM 14 CA VAL A 2 3.959 3.600 -0.991 1.00 52.32 C ATOM 15 C VAL A 2 5.200 4.021 -0.211 1.00 72.41 C ATOM 16 O VAL A 2 5.332 3.715 0.974 1.00 61.10 O ATOM 17 CB VAL A 2 2.888 4.699 -0.862 1.00 53.05 C ATOM 18 CG1 VAL A 2 3.457 6.050 -1.269 1.00 22.31 C ATOM 19 CG2 VAL A 2 1.666 4.352 -1.699 1.00 53.42 C ATOM 0 HA VAL A 2 4.219 3.478 -2.043 1.00 52.32 H new ATOM 0 HB VAL A 2 2.580 4.761 0.182 1.00 53.05 H new ATOM 0 HG11 VAL A 2 2.686 6.814 -1.171 1.00 22.31 H new ATOM 0 HG12 VAL A 2 4.299 6.300 -0.623 1.00 22.31 H new ATOM 0 HG13 VAL A 2 3.795 6.006 -2.304 1.00 22.31 H new ATOM 0 HG21 VAL A 2 0.919 5.139 -1.596 1.00 53.42 H new ATOM 0 HG22 VAL A 2 1.956 4.261 -2.746 1.00 53.42 H new ATOM 0 HG23 VAL A 2 1.246 3.407 -1.355 1.00 53.42 H new ATOM 29 N ILE A 3 6.105 4.723 -0.883 1.00 74.44 N ATOM 30 CA ILE A 3 7.334 5.186 -0.252 1.00 22.24 C ATOM 31 C ILE A 3 7.320 6.700 -0.067 1.00 71.11 C ATOM 32 O ILE A 3 7.276 7.454 -1.040 1.00 21.54 O ATOM 33 CB ILE A 3 8.575 4.792 -1.076 1.00 34.15 C ATOM 34 CG1 ILE A 3 8.663 3.271 -1.210 1.00 22.42 C ATOM 35 CG2 ILE A 3 9.836 5.348 -0.433 1.00 64.34 C ATOM 36 CD1 ILE A 3 9.866 2.802 -1.997 1.00 14.41 C ATOM 0 H ILE A 3 6.010 4.984 -1.865 1.00 74.44 H new ATOM 0 HA ILE A 3 7.388 4.703 0.724 1.00 22.24 H new ATOM 0 HB ILE A 3 8.482 5.220 -2.074 1.00 34.15 H new ATOM 0 HG12 ILE A 3 8.695 2.828 -0.215 1.00 22.42 H new ATOM 0 HG13 ILE A 3 7.757 2.904 -1.693 1.00 22.42 H new ATOM 0 HG21 ILE A 3 10.704 5.061 -1.027 1.00 64.34 H new ATOM 0 HG22 ILE A 3 9.772 6.435 -0.386 1.00 64.34 H new ATOM 0 HG23 ILE A 3 9.938 4.947 0.575 1.00 64.34 H new ATOM 0 HD11 ILE A 3 9.863 1.713 -2.051 1.00 14.41 H new ATOM 0 HD12 ILE A 3 9.825 3.216 -3.005 1.00 14.41 H new ATOM 0 HD13 ILE A 3 10.778 3.138 -1.503 1.00 14.41 H new ATOM 48 N ILE A 4 7.361 7.138 1.187 1.00 31.31 N ATOM 49 CA ILE A 4 7.356 8.562 1.498 1.00 31.24 C ATOM 50 C ILE A 4 8.574 9.260 0.903 1.00 23.53 C ATOM 51 O ILE A 4 9.688 8.736 0.952 1.00 15.42 O ATOM 52 CB ILE A 4 7.331 8.805 3.020 1.00 74.11 C ATOM 53 CG1 ILE A 4 6.043 8.244 3.627 1.00 64.44 C ATOM 54 CG2 ILE A 4 7.460 10.291 3.320 1.00 64.34 C ATOM 55 CD1 ILE A 4 5.917 8.496 5.113 1.00 71.12 C ATOM 0 H ILE A 4 7.398 6.528 2.003 1.00 31.31 H new ATOM 0 HA ILE A 4 6.451 8.978 1.056 1.00 31.24 H new ATOM 0 HB ILE A 4 8.178 8.287 3.470 1.00 74.11 H new ATOM 0 HG12 ILE A 4 5.187 8.687 3.117 1.00 64.44 H new ATOM 0 HG13 ILE A 4 6.002 7.170 3.444 1.00 64.44 H new ATOM 0 HG21 ILE A 4 7.441 10.447 4.399 1.00 64.34 H new ATOM 0 HG22 ILE A 4 8.401 10.663 2.916 1.00 64.34 H new ATOM 0 HG23 ILE A 4 6.630 10.828 2.861 1.00 64.34 H new ATOM 0 HD11 ILE A 4 4.981 8.072 5.476 1.00 71.12 H new ATOM 0 HD12 ILE A 4 6.753 8.029 5.633 1.00 71.12 H new ATOM 0 HD13 ILE A 4 5.926 9.569 5.302 1.00 71.12 H new ATOM 67 N LYS A 5 8.355 10.444 0.343 1.00 42.23 N ATOM 68 CA LYS A 5 9.436 11.217 -0.259 1.00 34.34 C ATOM 69 C LYS A 5 9.596 12.564 0.439 1.00 72.31 C ATOM 70 O LYS A 5 8.678 13.066 1.089 1.00 53.44 O ATOM 71 CB LYS A 5 9.165 11.432 -1.750 1.00 11.31 C ATOM 72 CG LYS A 5 9.054 10.141 -2.541 1.00 74.44 C ATOM 73 CD LYS A 5 10.234 9.221 -2.275 1.00 34.11 C ATOM 74 CE LYS A 5 10.256 8.049 -3.244 1.00 63.52 C ATOM 75 NZ LYS A 5 8.935 7.365 -3.318 1.00 53.41 N ATOM 0 H LYS A 5 7.439 10.890 0.293 1.00 42.23 H new ATOM 0 HA LYS A 5 10.362 10.655 -0.141 1.00 34.34 H new ATOM 0 HB2 LYS A 5 8.241 11.999 -1.865 1.00 11.31 H new ATOM 0 HB3 LYS A 5 9.966 12.039 -2.172 1.00 11.31 H new ATOM 0 HG2 LYS A 5 8.127 9.631 -2.278 1.00 74.44 H new ATOM 0 HG3 LYS A 5 9.002 10.369 -3.606 1.00 74.44 H new ATOM 0 HD2 LYS A 5 11.163 9.784 -2.363 1.00 34.11 H new ATOM 0 HD3 LYS A 5 10.183 8.848 -1.252 1.00 34.11 H new ATOM 0 HE2 LYS A 5 10.538 8.403 -4.236 1.00 63.52 H new ATOM 0 HE3 LYS A 5 11.018 7.334 -2.932 1.00 63.52 H new ATOM 0 HZ1 LYS A 5 9.068 6.389 -3.652 1.00 53.41 H new ATOM 0 HZ2 LYS A 5 8.498 7.352 -2.375 1.00 53.41 H new ATOM 0 HZ3 LYS A 5 8.316 7.876 -3.979 1.00 53.41 H new ATOM 89 N PRO A 6 10.787 13.164 0.302 1.00 61.14 N ATOM 90 CA PRO A 6 11.094 14.461 0.911 1.00 44.04 C ATOM 91 C PRO A 6 10.333 15.606 0.252 1.00 20.21 C ATOM 92 O PRO A 6 10.344 16.734 0.744 1.00 54.21 O ATOM 93 CB PRO A 6 12.600 14.615 0.677 1.00 13.02 C ATOM 94 CG PRO A 6 12.883 13.779 -0.523 1.00 51.53 C ATOM 95 CD PRO A 6 11.926 12.622 -0.458 1.00 44.41 C ATOM 0 HA PRO A 6 10.806 14.496 1.962 1.00 44.04 H new ATOM 0 HB2 PRO A 6 12.870 15.657 0.506 1.00 13.02 H new ATOM 0 HB3 PRO A 6 13.172 14.275 1.540 1.00 13.02 H new ATOM 0 HG2 PRO A 6 12.741 14.352 -1.440 1.00 51.53 H new ATOM 0 HG3 PRO A 6 13.916 13.431 -0.521 1.00 51.53 H new ATOM 0 HD2 PRO A 6 11.625 12.293 -1.453 1.00 44.41 H new ATOM 0 HD3 PRO A 6 12.370 11.761 0.042 1.00 44.41 H new ATOM 103 N GLN A 7 9.673 15.308 -0.862 1.00 22.54 N ATOM 104 CA GLN A 7 8.906 16.313 -1.587 1.00 55.24 C ATOM 105 C GLN A 7 9.828 17.233 -2.380 1.00 52.44 C ATOM 106 O GLN A 7 9.589 17.504 -3.557 1.00 42.54 O ATOM 107 CB GLN A 7 8.056 17.135 -0.617 1.00 31.41 C ATOM 108 CG GLN A 7 6.832 17.764 -1.263 1.00 2.20 C ATOM 109 CD GLN A 7 5.992 18.550 -0.276 1.00 13.12 C ATOM 110 OE1 GLN A 7 6.186 19.753 -0.098 1.00 3.45 O ATOM 111 NE2 GLN A 7 5.049 17.875 0.371 1.00 61.34 N ATOM 0 H GLN A 7 9.654 14.379 -1.282 1.00 22.54 H new ATOM 0 HA GLN A 7 8.248 15.797 -2.286 1.00 55.24 H new ATOM 0 HB2 GLN A 7 7.734 16.494 0.204 1.00 31.41 H new ATOM 0 HB3 GLN A 7 8.673 17.922 -0.184 1.00 31.41 H new ATOM 0 HG2 GLN A 7 7.150 18.424 -2.070 1.00 2.20 H new ATOM 0 HG3 GLN A 7 6.221 16.982 -1.713 1.00 2.20 H new ATOM 0 HE21 GLN A 7 4.922 16.879 0.193 1.00 61.34 H new ATOM 0 HE22 GLN A 7 4.452 18.353 1.046 1.00 61.34 H new ATOM 120 N VAL A 8 10.882 17.712 -1.728 1.00 4.22 N ATOM 121 CA VAL A 8 11.840 18.602 -2.371 1.00 40.32 C ATOM 122 C VAL A 8 13.272 18.131 -2.137 1.00 74.11 C ATOM 123 O VAL A 8 13.500 17.089 -1.522 1.00 14.51 O ATOM 124 CB VAL A 8 11.698 20.047 -1.857 1.00 51.22 C ATOM 125 CG1 VAL A 8 10.390 20.659 -2.339 1.00 60.21 C ATOM 126 CG2 VAL A 8 11.786 20.084 -0.339 1.00 51.51 C ATOM 0 H VAL A 8 11.094 17.498 -0.753 1.00 4.22 H new ATOM 0 HA VAL A 8 11.623 18.581 -3.439 1.00 40.32 H new ATOM 0 HB VAL A 8 12.519 20.640 -2.260 1.00 51.22 H new ATOM 0 HG11 VAL A 8 10.307 21.680 -1.966 1.00 60.21 H new ATOM 0 HG12 VAL A 8 10.372 20.668 -3.429 1.00 60.21 H new ATOM 0 HG13 VAL A 8 9.553 20.068 -1.968 1.00 60.21 H new ATOM 0 HG21 VAL A 8 11.684 21.113 0.006 1.00 51.51 H new ATOM 0 HG22 VAL A 8 10.987 19.477 0.087 1.00 51.51 H new ATOM 0 HG23 VAL A 8 12.751 19.689 -0.021 1.00 51.51 H new ATOM 136 N SER A 9 14.232 18.905 -2.632 1.00 42.22 N ATOM 137 CA SER A 9 15.642 18.565 -2.480 1.00 30.12 C ATOM 138 C SER A 9 16.272 19.358 -1.339 1.00 41.41 C ATOM 139 O SER A 9 16.391 20.581 -1.410 1.00 31.50 O ATOM 140 CB SER A 9 16.397 18.835 -3.782 1.00 71.34 C ATOM 141 OG SER A 9 15.499 19.009 -4.865 1.00 61.14 O ATOM 0 H SER A 9 14.060 19.772 -3.142 1.00 42.22 H new ATOM 0 HA SER A 9 15.711 17.503 -2.243 1.00 30.12 H new ATOM 0 HB2 SER A 9 17.014 19.727 -3.670 1.00 71.34 H new ATOM 0 HB3 SER A 9 17.071 18.005 -3.994 1.00 71.34 H new ATOM 0 HG SER A 9 16.006 19.182 -5.686 1.00 61.14 H new ATOM 147 N GLY A 10 16.675 18.652 -0.287 1.00 53.15 N ATOM 148 CA GLY A 10 17.288 19.306 0.854 1.00 43.41 C ATOM 149 C GLY A 10 18.005 18.330 1.766 1.00 53.41 C ATOM 150 O GLY A 10 18.689 17.420 1.297 1.00 40.41 O ATOM 0 H GLY A 10 16.588 17.639 -0.205 1.00 53.15 H new ATOM 0 HA2 GLY A 10 17.996 20.056 0.502 1.00 43.41 H new ATOM 0 HA3 GLY A 10 16.521 19.833 1.422 1.00 43.41 H new ATOM 154 N VAL A 11 17.850 18.519 3.072 1.00 0.45 N ATOM 155 CA VAL A 11 18.489 17.648 4.051 1.00 22.32 C ATOM 156 C VAL A 11 17.568 17.389 5.239 1.00 10.10 C ATOM 157 O VAL A 11 16.833 18.276 5.672 1.00 21.11 O ATOM 158 CB VAL A 11 19.810 18.252 4.563 1.00 13.34 C ATOM 159 CG1 VAL A 11 20.607 18.847 3.411 1.00 71.11 C ATOM 160 CG2 VAL A 11 19.538 19.301 5.630 1.00 4.55 C ATOM 0 H VAL A 11 17.288 19.267 3.477 1.00 0.45 H new ATOM 0 HA VAL A 11 18.701 16.706 3.546 1.00 22.32 H new ATOM 0 HB VAL A 11 20.403 17.455 5.012 1.00 13.34 H new ATOM 0 HG11 VAL A 11 21.537 19.269 3.792 1.00 71.11 H new ATOM 0 HG12 VAL A 11 20.833 18.067 2.684 1.00 71.11 H new ATOM 0 HG13 VAL A 11 20.022 19.632 2.931 1.00 71.11 H new ATOM 0 HG21 VAL A 11 20.483 19.717 5.980 1.00 4.55 H new ATOM 0 HG22 VAL A 11 18.925 20.098 5.209 1.00 4.55 H new ATOM 0 HG23 VAL A 11 19.012 18.841 6.466 1.00 4.55 H new ATOM 170 N ILE A 12 17.615 16.168 5.761 1.00 50.15 N ATOM 171 CA ILE A 12 16.787 15.792 6.900 1.00 34.23 C ATOM 172 C ILE A 12 17.131 16.626 8.129 1.00 64.11 C ATOM 173 O ILE A 12 18.294 16.955 8.363 1.00 24.33 O ATOM 174 CB ILE A 12 16.946 14.299 7.244 1.00 35.04 C ATOM 175 CG1 ILE A 12 16.540 13.433 6.051 1.00 75.44 C ATOM 176 CG2 ILE A 12 16.115 13.947 8.468 1.00 32.24 C ATOM 177 CD1 ILE A 12 15.072 13.532 5.702 1.00 15.43 C ATOM 0 H ILE A 12 18.218 15.422 5.413 1.00 50.15 H new ATOM 0 HA ILE A 12 15.752 15.981 6.614 1.00 34.23 H new ATOM 0 HB ILE A 12 17.994 14.103 7.471 1.00 35.04 H new ATOM 0 HG12 ILE A 12 17.132 13.725 5.183 1.00 75.44 H new ATOM 0 HG13 ILE A 12 16.784 12.393 6.268 1.00 75.44 H new ATOM 0 HG21 ILE A 12 16.237 12.889 8.699 1.00 32.24 H new ATOM 0 HG22 ILE A 12 16.447 14.544 9.317 1.00 32.24 H new ATOM 0 HG23 ILE A 12 15.064 14.155 8.266 1.00 32.24 H new ATOM 0 HD11 ILE A 12 14.857 12.891 4.847 1.00 15.43 H new ATOM 0 HD12 ILE A 12 14.473 13.212 6.555 1.00 15.43 H new ATOM 0 HD13 ILE A 12 14.826 14.564 5.453 1.00 15.43 H new ATOM 189 N VAL A 13 16.113 16.963 8.914 1.00 33.43 N ATOM 190 CA VAL A 13 16.308 17.755 10.122 1.00 50.40 C ATOM 191 C VAL A 13 15.798 17.015 11.353 1.00 42.20 C ATOM 192 O VAL A 13 16.381 17.108 12.432 1.00 33.11 O ATOM 193 CB VAL A 13 15.594 19.116 10.022 1.00 0.43 C ATOM 194 CG1 VAL A 13 16.268 20.140 10.922 1.00 1.15 C ATOM 195 CG2 VAL A 13 15.567 19.598 8.580 1.00 33.23 C ATOM 0 H VAL A 13 15.144 16.700 8.735 1.00 33.43 H new ATOM 0 HA VAL A 13 17.381 17.922 10.221 1.00 50.40 H new ATOM 0 HB VAL A 13 14.565 18.993 10.359 1.00 0.43 H new ATOM 0 HG11 VAL A 13 15.750 21.095 10.838 1.00 1.15 H new ATOM 0 HG12 VAL A 13 16.231 19.796 11.956 1.00 1.15 H new ATOM 0 HG13 VAL A 13 17.308 20.263 10.618 1.00 1.15 H new ATOM 0 HG21 VAL A 13 15.059 20.561 8.528 1.00 33.23 H new ATOM 0 HG22 VAL A 13 16.588 19.706 8.213 1.00 33.23 H new ATOM 0 HG23 VAL A 13 15.035 18.873 7.964 1.00 33.23 H new ATOM 205 N ASN A 14 14.704 16.278 11.183 1.00 2.52 N ATOM 206 CA ASN A 14 14.115 15.521 12.281 1.00 32.11 C ATOM 207 C ASN A 14 13.051 14.556 11.767 1.00 11.23 C ATOM 208 O ASN A 14 12.564 14.692 10.645 1.00 34.21 O ATOM 209 CB ASN A 14 13.502 16.472 13.313 1.00 34.50 C ATOM 210 CG ASN A 14 13.755 16.020 14.737 1.00 24.23 C ATOM 211 OD1 ASN A 14 12.943 15.084 15.215 1.00 30.12 O flip ATOM 212 ND2 ASN A 14 14.671 16.506 15.401 1.00 72.23 N flip ATOM 0 H ASN A 14 14.208 16.189 10.296 1.00 2.52 H new ATOM 0 HA ASN A 14 14.907 14.942 12.756 1.00 32.11 H new ATOM 0 HB2 ASN A 14 13.915 17.471 13.173 1.00 34.50 H new ATOM 0 HB3 ASN A 14 12.428 16.545 13.143 1.00 34.50 H new ATOM 0 HD21 ASN A 14 15.271 17.223 14.994 1.00 72.23 H new ATOM 0 HD22 ASN A 14 14.830 16.191 16.358 1.00 72.23 H new ATOM 219 N LYS A 15 12.694 13.581 12.596 1.00 40.22 N ATOM 220 CA LYS A 15 11.686 12.593 12.227 1.00 3.44 C ATOM 221 C LYS A 15 10.768 12.288 13.407 1.00 75.12 C ATOM 222 O LYS A 15 11.094 11.465 14.263 1.00 32.52 O ATOM 223 CB LYS A 15 12.357 11.306 11.743 1.00 45.52 C ATOM 224 CG LYS A 15 13.789 11.149 12.225 1.00 63.44 C ATOM 225 CD LYS A 15 13.845 10.761 13.692 1.00 21.22 C ATOM 226 CE LYS A 15 13.204 9.402 13.934 1.00 63.32 C ATOM 227 NZ LYS A 15 13.728 8.368 12.999 1.00 70.32 N ATOM 0 H LYS A 15 13.088 13.453 13.528 1.00 40.22 H new ATOM 0 HA LYS A 15 11.085 13.008 11.418 1.00 3.44 H new ATOM 0 HB2 LYS A 15 11.772 10.451 12.083 1.00 45.52 H new ATOM 0 HB3 LYS A 15 12.345 11.287 10.653 1.00 45.52 H new ATOM 0 HG2 LYS A 15 14.294 10.390 11.628 1.00 63.44 H new ATOM 0 HG3 LYS A 15 14.329 12.084 12.074 1.00 63.44 H new ATOM 0 HD2 LYS A 15 14.883 10.739 14.024 1.00 21.22 H new ATOM 0 HD3 LYS A 15 13.335 11.517 14.289 1.00 21.22 H new ATOM 0 HE2 LYS A 15 13.390 9.090 14.962 1.00 63.32 H new ATOM 0 HE3 LYS A 15 12.123 9.484 13.817 1.00 63.32 H new ATOM 0 HZ1 LYS A 15 13.731 7.442 13.472 1.00 70.32 H new ATOM 0 HZ2 LYS A 15 13.122 8.324 12.155 1.00 70.32 H new ATOM 0 HZ3 LYS A 15 14.698 8.615 12.716 1.00 70.32 H new ATOM 241 N LEU A 16 9.619 12.953 13.443 1.00 22.14 N ATOM 242 CA LEU A 16 8.652 12.752 14.516 1.00 22.41 C ATOM 243 C LEU A 16 7.774 11.536 14.238 1.00 64.23 C ATOM 244 O LEU A 16 6.547 11.626 14.248 1.00 40.20 O ATOM 245 CB LEU A 16 7.779 13.996 14.684 1.00 21.45 C ATOM 246 CG LEU A 16 8.443 15.332 14.349 1.00 2.10 C ATOM 247 CD1 LEU A 16 7.471 16.481 14.566 1.00 11.32 C ATOM 248 CD2 LEU A 16 9.699 15.528 15.186 1.00 30.15 C ATOM 0 H LEU A 16 9.334 13.636 12.741 1.00 22.14 H new ATOM 0 HA LEU A 16 9.204 12.576 15.439 1.00 22.41 H new ATOM 0 HB2 LEU A 16 6.896 13.884 14.054 1.00 21.45 H new ATOM 0 HB3 LEU A 16 7.431 14.035 15.716 1.00 21.45 H new ATOM 0 HG LEU A 16 8.729 15.320 13.297 1.00 2.10 H new ATOM 0 HD11 LEU A 16 7.962 17.423 14.322 1.00 11.32 H new ATOM 0 HD12 LEU A 16 6.601 16.348 13.923 1.00 11.32 H new ATOM 0 HD13 LEU A 16 7.153 16.496 15.608 1.00 11.32 H new ATOM 0 HD21 LEU A 16 10.158 16.484 14.934 1.00 30.15 H new ATOM 0 HD22 LEU A 16 9.436 15.519 16.244 1.00 30.15 H new ATOM 0 HD23 LEU A 16 10.403 14.722 14.980 1.00 30.15 H new ATOM 260 N PHE A 17 8.412 10.396 13.990 1.00 43.04 N ATOM 261 CA PHE A 17 7.691 9.161 13.709 1.00 21.31 C ATOM 262 C PHE A 17 8.384 7.966 14.359 1.00 51.51 C ATOM 263 O PHE A 17 9.583 8.004 14.635 1.00 22.03 O ATOM 264 CB PHE A 17 7.580 8.941 12.199 1.00 3.44 C ATOM 265 CG PHE A 17 8.696 8.112 11.631 1.00 55.43 C ATOM 266 CD1 PHE A 17 9.923 8.685 11.339 1.00 31.30 C ATOM 267 CD2 PHE A 17 8.517 6.760 11.386 1.00 32.40 C ATOM 268 CE1 PHE A 17 10.952 7.924 10.816 1.00 44.42 C ATOM 269 CE2 PHE A 17 9.542 5.995 10.864 1.00 55.14 C ATOM 270 CZ PHE A 17 10.760 6.578 10.577 1.00 45.12 C ATOM 0 H PHE A 17 9.428 10.303 13.978 1.00 43.04 H new ATOM 0 HA PHE A 17 6.690 9.251 14.130 1.00 21.31 H new ATOM 0 HB2 PHE A 17 6.629 8.455 11.979 1.00 3.44 H new ATOM 0 HB3 PHE A 17 7.566 9.909 11.699 1.00 3.44 H new ATOM 0 HD1 PHE A 17 10.078 9.738 11.522 1.00 31.30 H new ATOM 0 HD2 PHE A 17 7.565 6.299 11.606 1.00 32.40 H new ATOM 0 HE1 PHE A 17 11.905 8.382 10.595 1.00 44.42 H new ATOM 0 HE2 PHE A 17 9.391 4.942 10.681 1.00 55.14 H new ATOM 0 HZ PHE A 17 11.561 5.982 10.166 1.00 45.12 H new ATOM 280 N LYS A 18 7.620 6.906 14.598 1.00 4.12 N ATOM 281 CA LYS A 18 8.159 5.698 15.214 1.00 21.04 C ATOM 282 C LYS A 18 8.177 4.543 14.220 1.00 61.45 C ATOM 283 O LYS A 18 7.553 4.612 13.161 1.00 24.22 O ATOM 284 CB LYS A 18 7.331 5.315 16.443 1.00 31.43 C ATOM 285 CG LYS A 18 7.738 6.053 17.706 1.00 51.42 C ATOM 286 CD LYS A 18 8.716 5.239 18.537 1.00 43.23 C ATOM 287 CE LYS A 18 8.590 5.559 20.019 1.00 55.15 C ATOM 288 NZ LYS A 18 9.497 4.716 20.847 1.00 52.01 N ATOM 0 H LYS A 18 6.626 6.858 14.375 1.00 4.12 H new ATOM 0 HA LYS A 18 9.184 5.904 15.524 1.00 21.04 H new ATOM 0 HB2 LYS A 18 6.279 5.515 16.239 1.00 31.43 H new ATOM 0 HB3 LYS A 18 7.424 4.242 16.613 1.00 31.43 H new ATOM 0 HG2 LYS A 18 8.192 7.008 17.440 1.00 51.42 H new ATOM 0 HG3 LYS A 18 6.852 6.276 18.300 1.00 51.42 H new ATOM 0 HD2 LYS A 18 8.535 4.176 18.377 1.00 43.23 H new ATOM 0 HD3 LYS A 18 9.734 5.442 18.205 1.00 43.23 H new ATOM 0 HE2 LYS A 18 8.821 6.611 20.184 1.00 55.15 H new ATOM 0 HE3 LYS A 18 7.559 5.405 20.338 1.00 55.15 H new ATOM 0 HZ1 LYS A 18 9.382 4.964 21.850 1.00 52.01 H new ATOM 0 HZ2 LYS A 18 9.261 3.713 20.709 1.00 52.01 H new ATOM 0 HZ3 LYS A 18 10.483 4.882 20.561 1.00 52.01 H new ATOM 302 N ALA A 19 8.895 3.480 14.568 1.00 51.43 N ATOM 303 CA ALA A 19 8.992 2.308 13.707 1.00 22.51 C ATOM 304 C ALA A 19 7.850 1.333 13.976 1.00 10.23 C ATOM 305 O ALA A 19 7.780 0.723 15.041 1.00 30.03 O ATOM 306 CB ALA A 19 10.334 1.618 13.903 1.00 41.10 C ATOM 0 H ALA A 19 9.418 3.407 15.441 1.00 51.43 H new ATOM 0 HA ALA A 19 8.915 2.641 12.672 1.00 22.51 H new ATOM 0 HB1 ALA A 19 10.392 0.744 13.254 1.00 41.10 H new ATOM 0 HB2 ALA A 19 11.139 2.310 13.654 1.00 41.10 H new ATOM 0 HB3 ALA A 19 10.434 1.305 14.942 1.00 41.10 H new ATOM 312 N GLY A 20 6.956 1.194 13.001 1.00 21.44 N ATOM 313 CA GLY A 20 5.828 0.293 13.154 1.00 54.10 C ATOM 314 C GLY A 20 4.643 0.956 13.829 1.00 61.11 C ATOM 315 O GLY A 20 3.715 0.280 14.273 1.00 42.25 O ATOM 0 H GLY A 20 6.993 1.688 12.110 1.00 21.44 H new ATOM 0 HA2 GLY A 20 5.525 -0.074 12.174 1.00 54.10 H new ATOM 0 HA3 GLY A 20 6.136 -0.574 13.738 1.00 54.10 H new ATOM 319 N ASP A 21 4.675 2.281 13.907 1.00 11.33 N ATOM 320 CA ASP A 21 3.596 3.036 14.533 1.00 71.40 C ATOM 321 C ASP A 21 2.575 3.490 13.494 1.00 60.12 C ATOM 322 O ASP A 21 2.743 3.250 12.298 1.00 23.11 O ATOM 323 CB ASP A 21 4.157 4.248 15.278 1.00 40.45 C ATOM 324 CG ASP A 21 3.875 4.195 16.767 1.00 51.32 C ATOM 325 OD1 ASP A 21 4.330 3.235 17.422 1.00 1.12 O ATOM 326 OD2 ASP A 21 3.199 5.114 17.276 1.00 61.14 O ATOM 0 H ASP A 21 5.436 2.855 13.545 1.00 11.33 H new ATOM 0 HA ASP A 21 3.095 2.381 15.246 1.00 71.40 H new ATOM 0 HB2 ASP A 21 5.234 4.303 15.117 1.00 40.45 H new ATOM 0 HB3 ASP A 21 3.725 5.158 14.862 1.00 40.45 H new ATOM 331 N LYS A 22 1.517 4.146 13.958 1.00 62.12 N ATOM 332 CA LYS A 22 0.469 4.634 13.069 1.00 3.22 C ATOM 333 C LYS A 22 0.582 6.142 12.872 1.00 53.34 C ATOM 334 O LYS A 22 1.006 6.867 13.772 1.00 61.55 O ATOM 335 CB LYS A 22 -0.910 4.286 13.634 1.00 21.54 C ATOM 336 CG LYS A 22 -1.569 3.104 12.945 1.00 74.33 C ATOM 337 CD LYS A 22 -2.955 3.459 12.433 1.00 22.25 C ATOM 338 CE LYS A 22 -3.970 3.511 13.566 1.00 31.20 C ATOM 339 NZ LYS A 22 -4.498 4.887 13.774 1.00 4.44 N ATOM 0 H LYS A 22 1.362 4.352 14.945 1.00 62.12 H new ATOM 0 HA LYS A 22 0.592 4.148 12.101 1.00 3.22 H new ATOM 0 HB2 LYS A 22 -0.813 4.068 14.698 1.00 21.54 H new ATOM 0 HB3 LYS A 22 -1.560 5.156 13.545 1.00 21.54 H new ATOM 0 HG2 LYS A 22 -0.947 2.773 12.114 1.00 74.33 H new ATOM 0 HG3 LYS A 22 -1.640 2.269 13.642 1.00 74.33 H new ATOM 0 HD2 LYS A 22 -2.922 4.424 11.928 1.00 22.25 H new ATOM 0 HD3 LYS A 22 -3.271 2.723 11.693 1.00 22.25 H new ATOM 0 HE2 LYS A 22 -4.796 2.835 13.345 1.00 31.20 H new ATOM 0 HE3 LYS A 22 -3.505 3.157 14.486 1.00 31.20 H new ATOM 0 HZ1 LYS A 22 -5.186 4.881 14.554 1.00 4.44 H new ATOM 0 HZ2 LYS A 22 -3.714 5.528 14.010 1.00 4.44 H new ATOM 0 HZ3 LYS A 22 -4.964 5.215 12.904 1.00 4.44 H new ATOM 353 N VAL A 23 0.200 6.609 11.687 1.00 20.22 N ATOM 354 CA VAL A 23 0.256 8.031 11.372 1.00 41.52 C ATOM 355 C VAL A 23 -1.041 8.503 10.723 1.00 65.05 C ATOM 356 O VAL A 23 -1.789 7.706 10.157 1.00 71.52 O ATOM 357 CB VAL A 23 1.434 8.352 10.431 1.00 43.10 C ATOM 358 CG1 VAL A 23 2.745 7.877 11.038 1.00 43.52 C ATOM 359 CG2 VAL A 23 1.211 7.721 9.064 1.00 3.25 C ATOM 0 H VAL A 23 -0.151 6.023 10.930 1.00 20.22 H new ATOM 0 HA VAL A 23 0.399 8.558 12.315 1.00 41.52 H new ATOM 0 HB VAL A 23 1.490 9.433 10.302 1.00 43.10 H new ATOM 0 HG11 VAL A 23 3.566 8.112 10.360 1.00 43.52 H new ATOM 0 HG12 VAL A 23 2.907 8.379 11.992 1.00 43.52 H new ATOM 0 HG13 VAL A 23 2.703 6.800 11.197 1.00 43.52 H new ATOM 0 HG21 VAL A 23 2.052 7.958 8.412 1.00 3.25 H new ATOM 0 HG22 VAL A 23 1.128 6.639 9.172 1.00 3.25 H new ATOM 0 HG23 VAL A 23 0.292 8.113 8.628 1.00 3.25 H new ATOM 369 N LYS A 24 -1.300 9.803 10.808 1.00 63.55 N ATOM 370 CA LYS A 24 -2.505 10.382 10.227 1.00 71.02 C ATOM 371 C LYS A 24 -2.163 11.254 9.022 1.00 34.45 C ATOM 372 O LYS A 24 -1.166 11.974 9.027 1.00 3.24 O ATOM 373 CB LYS A 24 -3.252 11.211 11.274 1.00 23.12 C ATOM 374 CG LYS A 24 -2.946 12.697 11.205 1.00 11.44 C ATOM 375 CD LYS A 24 -3.889 13.418 10.256 1.00 63.33 C ATOM 376 CE LYS A 24 -5.345 13.162 10.616 1.00 43.42 C ATOM 377 NZ LYS A 24 -6.140 14.420 10.635 1.00 15.24 N ATOM 0 H LYS A 24 -0.691 10.476 11.274 1.00 63.55 H new ATOM 0 HA LYS A 24 -3.146 9.566 9.893 1.00 71.02 H new ATOM 0 HB2 LYS A 24 -4.324 11.063 11.145 1.00 23.12 H new ATOM 0 HB3 LYS A 24 -2.997 10.842 12.267 1.00 23.12 H new ATOM 0 HG2 LYS A 24 -3.028 13.133 12.201 1.00 11.44 H new ATOM 0 HG3 LYS A 24 -1.917 12.842 10.877 1.00 11.44 H new ATOM 0 HD2 LYS A 24 -3.689 14.489 10.286 1.00 63.33 H new ATOM 0 HD3 LYS A 24 -3.702 13.087 9.234 1.00 63.33 H new ATOM 0 HE2 LYS A 24 -5.780 12.468 9.897 1.00 43.42 H new ATOM 0 HE3 LYS A 24 -5.399 12.683 11.594 1.00 43.42 H new ATOM 0 HZ1 LYS A 24 -7.126 14.204 10.884 1.00 15.24 H new ATOM 0 HZ2 LYS A 24 -5.740 15.073 11.339 1.00 15.24 H new ATOM 0 HZ3 LYS A 24 -6.110 14.864 9.695 1.00 15.24 H new ATOM 391 N LYS A 25 -3.000 11.184 7.992 1.00 22.04 N ATOM 392 CA LYS A 25 -2.789 11.968 6.781 1.00 34.12 C ATOM 393 C LYS A 25 -2.639 13.450 7.112 1.00 34.22 C ATOM 394 O LYS A 25 -3.629 14.169 7.249 1.00 24.31 O ATOM 395 CB LYS A 25 -3.955 11.767 5.809 1.00 23.45 C ATOM 396 CG LYS A 25 -5.284 11.507 6.498 1.00 1.43 C ATOM 397 CD LYS A 25 -6.439 12.137 5.738 1.00 51.44 C ATOM 398 CE LYS A 25 -6.589 11.530 4.351 1.00 21.52 C ATOM 399 NZ LYS A 25 -7.927 10.903 4.163 1.00 62.44 N ATOM 0 H LYS A 25 -3.831 10.592 7.972 1.00 22.04 H new ATOM 0 HA LYS A 25 -1.868 11.623 6.311 1.00 34.12 H new ATOM 0 HB2 LYS A 25 -4.049 12.652 5.179 1.00 23.45 H new ATOM 0 HB3 LYS A 25 -3.727 10.929 5.150 1.00 23.45 H new ATOM 0 HG2 LYS A 25 -5.446 10.433 6.583 1.00 1.43 H new ATOM 0 HG3 LYS A 25 -5.254 11.906 7.512 1.00 1.43 H new ATOM 0 HD2 LYS A 25 -7.363 11.999 6.299 1.00 51.44 H new ATOM 0 HD3 LYS A 25 -6.276 13.211 5.651 1.00 51.44 H new ATOM 0 HE2 LYS A 25 -6.441 12.304 3.598 1.00 21.52 H new ATOM 0 HE3 LYS A 25 -5.812 10.782 4.196 1.00 21.52 H new ATOM 0 HZ1 LYS A 25 -7.991 10.501 3.206 1.00 62.44 H new ATOM 0 HZ2 LYS A 25 -8.058 10.147 4.866 1.00 62.44 H new ATOM 0 HZ3 LYS A 25 -8.668 11.622 4.286 1.00 62.44 H new ATOM 413 N GLY A 26 -1.395 13.901 7.237 1.00 72.22 N ATOM 414 CA GLY A 26 -1.140 15.295 7.548 1.00 65.02 C ATOM 415 C GLY A 26 -0.206 15.463 8.732 1.00 74.24 C ATOM 416 O GLY A 26 0.505 16.462 8.831 1.00 52.32 O ATOM 0 H GLY A 26 -0.559 13.326 7.128 1.00 72.22 H new ATOM 0 HA2 GLY A 26 -0.708 15.786 6.676 1.00 65.02 H new ATOM 0 HA3 GLY A 26 -2.085 15.796 7.760 1.00 65.02 H new ATOM 420 N GLN A 27 -0.212 14.484 9.631 1.00 40.45 N ATOM 421 CA GLN A 27 0.640 14.530 10.813 1.00 15.14 C ATOM 422 C GLN A 27 2.107 14.673 10.423 1.00 42.22 C ATOM 423 O GLN A 27 2.492 14.374 9.293 1.00 42.15 O ATOM 424 CB GLN A 27 0.445 13.269 11.656 1.00 4.23 C ATOM 425 CG GLN A 27 -0.412 13.490 12.893 1.00 32.12 C ATOM 426 CD GLN A 27 0.415 13.703 14.146 1.00 60.11 C ATOM 427 OE1 GLN A 27 0.421 14.791 14.721 1.00 21.34 O ATOM 428 NE2 GLN A 27 1.118 12.661 14.574 1.00 1.34 N ATOM 0 H GLN A 27 -0.796 13.651 9.563 1.00 40.45 H new ATOM 0 HA GLN A 27 0.354 15.401 11.402 1.00 15.14 H new ATOM 0 HB2 GLN A 27 -0.015 12.497 11.039 1.00 4.23 H new ATOM 0 HB3 GLN A 27 1.421 12.893 11.963 1.00 4.23 H new ATOM 0 HG2 GLN A 27 -1.055 14.356 12.735 1.00 32.12 H new ATOM 0 HG3 GLN A 27 -1.066 12.630 13.036 1.00 32.12 H new ATOM 0 HE21 GLN A 27 1.082 11.778 14.065 1.00 1.34 H new ATOM 0 HE22 GLN A 27 1.694 12.744 15.412 1.00 1.34 H new ATOM 437 N THR A 28 2.923 15.134 11.366 1.00 51.21 N ATOM 438 CA THR A 28 4.347 15.319 11.121 1.00 54.22 C ATOM 439 C THR A 28 5.120 14.029 11.368 1.00 20.54 C ATOM 440 O THR A 28 5.018 13.428 12.439 1.00 43.34 O ATOM 441 CB THR A 28 4.931 16.432 12.012 1.00 32.32 C ATOM 442 OG1 THR A 28 3.935 17.429 12.267 1.00 20.11 O ATOM 443 CG2 THR A 28 6.141 17.075 11.352 1.00 12.22 C ATOM 0 H THR A 28 2.621 15.386 12.307 1.00 51.21 H new ATOM 0 HA THR A 28 4.452 15.608 10.075 1.00 54.22 H new ATOM 0 HB THR A 28 5.246 15.984 12.954 1.00 32.32 H new ATOM 0 HG1 THR A 28 4.314 18.132 12.835 1.00 20.11 H new ATOM 0 HG21 THR A 28 6.536 17.858 12.000 1.00 12.22 H new ATOM 0 HG22 THR A 28 6.909 16.320 11.186 1.00 12.22 H new ATOM 0 HG23 THR A 28 5.846 17.509 10.397 1.00 12.22 H new ATOM 451 N LEU A 29 5.892 13.607 10.373 1.00 42.32 N ATOM 452 CA LEU A 29 6.683 12.387 10.482 1.00 20.22 C ATOM 453 C LEU A 29 8.157 12.668 10.211 1.00 65.14 C ATOM 454 O LEU A 29 9.036 12.177 10.921 1.00 72.42 O ATOM 455 CB LEU A 29 6.165 11.330 9.505 1.00 4.30 C ATOM 456 CG LEU A 29 4.647 11.254 9.341 1.00 13.54 C ATOM 457 CD1 LEU A 29 4.278 10.290 8.225 1.00 54.53 C ATOM 458 CD2 LEU A 29 3.989 10.838 10.648 1.00 74.21 C ATOM 0 H LEU A 29 5.987 14.092 9.481 1.00 42.32 H new ATOM 0 HA LEU A 29 6.585 12.010 11.500 1.00 20.22 H new ATOM 0 HB2 LEU A 29 6.607 11.521 8.527 1.00 4.30 H new ATOM 0 HB3 LEU A 29 6.524 10.354 9.832 1.00 4.30 H new ATOM 0 HG LEU A 29 4.280 12.245 9.073 1.00 13.54 H new ATOM 0 HD11 LEU A 29 3.194 10.249 8.123 1.00 54.53 H new ATOM 0 HD12 LEU A 29 4.718 10.632 7.288 1.00 54.53 H new ATOM 0 HD13 LEU A 29 4.658 9.296 8.462 1.00 54.53 H new ATOM 0 HD21 LEU A 29 2.909 10.789 10.512 1.00 74.21 H new ATOM 0 HD22 LEU A 29 4.362 9.858 10.947 1.00 74.21 H new ATOM 0 HD23 LEU A 29 4.225 11.568 11.422 1.00 74.21 H new ATOM 470 N PHE A 30 8.422 13.463 9.179 1.00 44.14 N ATOM 471 CA PHE A 30 9.791 13.810 8.814 1.00 50.03 C ATOM 472 C PHE A 30 9.939 15.318 8.633 1.00 60.11 C ATOM 473 O PHE A 30 8.952 16.054 8.638 1.00 44.33 O ATOM 474 CB PHE A 30 10.198 13.088 7.529 1.00 55.44 C ATOM 475 CG PHE A 30 10.208 11.592 7.658 1.00 31.33 C ATOM 476 CD1 PHE A 30 9.053 10.857 7.444 1.00 71.41 C ATOM 477 CD2 PHE A 30 11.372 10.920 7.996 1.00 10.10 C ATOM 478 CE1 PHE A 30 9.059 9.480 7.563 1.00 62.22 C ATOM 479 CE2 PHE A 30 11.384 9.543 8.115 1.00 5.42 C ATOM 480 CZ PHE A 30 10.226 8.822 7.900 1.00 33.42 C ATOM 0 H PHE A 30 7.708 13.879 8.581 1.00 44.14 H new ATOM 0 HA PHE A 30 10.448 13.492 9.624 1.00 50.03 H new ATOM 0 HB2 PHE A 30 9.512 13.371 6.730 1.00 55.44 H new ATOM 0 HB3 PHE A 30 11.191 13.425 7.231 1.00 55.44 H new ATOM 0 HD1 PHE A 30 8.137 11.366 7.181 1.00 71.41 H new ATOM 0 HD2 PHE A 30 12.280 11.479 8.168 1.00 10.10 H new ATOM 0 HE1 PHE A 30 8.152 8.919 7.393 1.00 62.22 H new ATOM 0 HE2 PHE A 30 12.299 9.031 8.376 1.00 5.42 H new ATOM 0 HZ PHE A 30 10.233 7.746 7.995 1.00 33.42 H new ATOM 490 N ILE A 31 11.179 15.769 8.473 1.00 13.50 N ATOM 491 CA ILE A 31 11.456 17.189 8.289 1.00 10.31 C ATOM 492 C ILE A 31 12.717 17.400 7.457 1.00 31.41 C ATOM 493 O ILE A 31 13.746 16.769 7.701 1.00 73.50 O ATOM 494 CB ILE A 31 11.620 17.910 9.640 1.00 13.42 C ATOM 495 CG1 ILE A 31 10.359 17.741 10.489 1.00 35.51 C ATOM 496 CG2 ILE A 31 11.923 19.385 9.420 1.00 61.33 C ATOM 497 CD1 ILE A 31 10.423 18.461 11.818 1.00 53.44 C ATOM 0 H ILE A 31 12.007 15.173 8.467 1.00 13.50 H new ATOM 0 HA ILE A 31 10.601 17.612 7.762 1.00 10.31 H new ATOM 0 HB ILE A 31 12.458 17.463 10.174 1.00 13.42 H new ATOM 0 HG12 ILE A 31 9.501 18.109 9.927 1.00 35.51 H new ATOM 0 HG13 ILE A 31 10.191 16.679 10.668 1.00 35.51 H new ATOM 0 HG21 ILE A 31 12.036 19.881 10.384 1.00 61.33 H new ATOM 0 HG22 ILE A 31 12.846 19.486 8.850 1.00 61.33 H new ATOM 0 HG23 ILE A 31 11.104 19.846 8.869 1.00 61.33 H new ATOM 0 HD11 ILE A 31 9.495 18.297 12.366 1.00 53.44 H new ATOM 0 HD12 ILE A 31 11.261 18.077 12.400 1.00 53.44 H new ATOM 0 HD13 ILE A 31 10.559 19.529 11.647 1.00 53.44 H new ATOM 509 N ILE A 32 12.629 18.291 6.476 1.00 74.11 N ATOM 510 CA ILE A 32 13.763 18.587 5.609 1.00 25.11 C ATOM 511 C ILE A 32 13.853 20.080 5.312 1.00 64.41 C ATOM 512 O ILE A 32 12.838 20.744 5.114 1.00 12.23 O ATOM 513 CB ILE A 32 13.674 17.814 4.280 1.00 2.14 C ATOM 514 CG1 ILE A 32 14.004 16.337 4.500 1.00 23.21 C ATOM 515 CG2 ILE A 32 14.611 18.424 3.248 1.00 3.43 C ATOM 516 CD1 ILE A 32 13.060 15.393 3.789 1.00 2.51 C ATOM 0 H ILE A 32 11.784 18.821 6.261 1.00 74.11 H new ATOM 0 HA ILE A 32 14.659 18.271 6.143 1.00 25.11 H new ATOM 0 HB ILE A 32 12.654 17.886 3.903 1.00 2.14 H new ATOM 0 HG12 ILE A 32 15.021 16.146 4.158 1.00 23.21 H new ATOM 0 HG13 ILE A 32 13.981 16.124 5.569 1.00 23.21 H new ATOM 0 HG21 ILE A 32 14.536 17.866 2.314 1.00 3.43 H new ATOM 0 HG22 ILE A 32 14.333 19.463 3.073 1.00 3.43 H new ATOM 0 HG23 ILE A 32 15.636 18.380 3.616 1.00 3.43 H new ATOM 0 HD11 ILE A 32 13.355 14.363 3.990 1.00 2.51 H new ATOM 0 HD12 ILE A 32 12.044 15.556 4.148 1.00 2.51 H new ATOM 0 HD13 ILE A 32 13.100 15.579 2.716 1.00 2.51 H new ATOM 528 N GLU A 33 15.077 20.598 5.281 1.00 12.50 N ATOM 529 CA GLU A 33 15.299 22.013 5.006 1.00 73.21 C ATOM 530 C GLU A 33 15.952 22.206 3.640 1.00 61.24 C ATOM 531 O GLU A 33 16.935 21.542 3.312 1.00 50.12 O ATOM 532 CB GLU A 33 16.176 22.635 6.095 1.00 34.44 C ATOM 533 CG GLU A 33 17.665 22.449 5.858 1.00 24.31 C ATOM 534 CD GLU A 33 18.260 23.543 4.994 1.00 10.44 C ATOM 535 OE1 GLU A 33 17.530 24.503 4.668 1.00 42.23 O ATOM 536 OE2 GLU A 33 19.454 23.440 4.644 1.00 1.10 O ATOM 0 H GLU A 33 15.929 20.060 5.443 1.00 12.50 H new ATOM 0 HA GLU A 33 14.330 22.512 5.000 1.00 73.21 H new ATOM 0 HB2 GLU A 33 15.958 23.701 6.161 1.00 34.44 H new ATOM 0 HB3 GLU A 33 15.912 22.196 7.057 1.00 34.44 H new ATOM 0 HG2 GLU A 33 18.182 22.428 6.817 1.00 24.31 H new ATOM 0 HG3 GLU A 33 17.835 21.483 5.383 1.00 24.31 H new ATOM 543 N GLN A 34 15.398 23.119 2.849 1.00 15.15 N ATOM 544 CA GLN A 34 15.924 23.399 1.519 1.00 4.03 C ATOM 545 C GLN A 34 15.900 24.896 1.228 1.00 44.13 C ATOM 546 O GLN A 34 16.599 25.375 0.335 1.00 75.14 O ATOM 547 CB GLN A 34 15.116 22.647 0.459 1.00 4.13 C ATOM 548 CG GLN A 34 13.670 23.104 0.361 1.00 62.41 C ATOM 549 CD GLN A 34 12.870 22.778 1.608 1.00 54.35 C ATOM 550 OE1 GLN A 34 12.175 23.635 2.155 1.00 43.33 O ATOM 551 NE2 GLN A 34 12.962 21.534 2.062 1.00 23.03 N ATOM 0 H GLN A 34 14.584 23.678 3.107 1.00 15.15 H new ATOM 0 HA GLN A 34 16.959 23.058 1.486 1.00 4.03 H new ATOM 0 HB2 GLN A 34 15.596 22.776 -0.511 1.00 4.13 H new ATOM 0 HB3 GLN A 34 15.137 21.581 0.686 1.00 4.13 H new ATOM 0 HG2 GLN A 34 13.644 24.180 0.188 1.00 62.41 H new ATOM 0 HG3 GLN A 34 13.201 22.631 -0.501 1.00 62.41 H new ATOM 0 HE21 GLN A 34 13.550 20.856 1.577 1.00 23.03 H new ATOM 0 HE22 GLN A 34 12.445 21.256 2.896 1.00 23.03 H new ATOM 701 N SER A 44 24.371 29.751 1.629 1.00 14.45 N ATOM 702 CA SER A 44 25.501 29.893 0.720 1.00 41.31 C ATOM 703 C SER A 44 26.312 31.143 1.052 1.00 54.14 C ATOM 704 O SER A 44 27.001 31.696 0.194 1.00 54.21 O ATOM 705 CB SER A 44 25.013 29.958 -0.729 1.00 40.10 C ATOM 706 OG SER A 44 26.054 29.631 -1.633 1.00 42.22 O ATOM 0 HA SER A 44 26.144 29.021 0.840 1.00 41.31 H new ATOM 0 HB2 SER A 44 24.179 29.270 -0.866 1.00 40.10 H new ATOM 0 HB3 SER A 44 24.640 30.959 -0.946 1.00 40.10 H new ATOM 0 HG SER A 44 26.844 30.175 -1.433 1.00 42.22 H new ATOM 712 N LYS A 45 26.224 31.582 2.302 1.00 14.13 N ATOM 713 CA LYS A 45 26.948 32.765 2.751 1.00 43.55 C ATOM 714 C LYS A 45 28.377 32.410 3.149 1.00 61.42 C ATOM 715 O LYS A 45 29.281 33.240 3.060 1.00 4.01 O ATOM 716 CB LYS A 45 26.224 33.415 3.931 1.00 3.54 C ATOM 717 CG LYS A 45 24.747 33.659 3.680 1.00 12.42 C ATOM 718 CD LYS A 45 23.893 33.143 4.825 1.00 34.40 C ATOM 719 CE LYS A 45 23.419 31.720 4.569 1.00 40.20 C ATOM 720 NZ LYS A 45 24.421 30.713 5.016 1.00 32.44 N ATOM 0 H LYS A 45 25.658 31.136 3.023 1.00 14.13 H new ATOM 0 HA LYS A 45 26.986 33.473 1.923 1.00 43.55 H new ATOM 0 HB2 LYS A 45 26.334 32.778 4.809 1.00 3.54 H new ATOM 0 HB3 LYS A 45 26.706 34.365 4.163 1.00 3.54 H new ATOM 0 HG2 LYS A 45 24.571 34.726 3.547 1.00 12.42 H new ATOM 0 HG3 LYS A 45 24.449 33.169 2.753 1.00 12.42 H new ATOM 0 HD2 LYS A 45 24.466 33.176 5.751 1.00 34.40 H new ATOM 0 HD3 LYS A 45 23.031 33.796 4.960 1.00 34.40 H new ATOM 0 HE2 LYS A 45 22.477 31.552 5.091 1.00 40.20 H new ATOM 0 HE3 LYS A 45 23.222 31.589 3.505 1.00 40.20 H new ATOM 0 HZ1 LYS A 45 24.719 30.135 4.204 1.00 32.44 H new ATOM 0 HZ2 LYS A 45 25.248 31.200 5.416 1.00 32.44 H new ATOM 0 HZ3 LYS A 45 23.997 30.099 5.741 1.00 32.44 H new ATOM 734 N ALA A 46 28.573 31.171 3.588 1.00 43.34 N ATOM 735 CA ALA A 46 29.892 30.705 3.996 1.00 25.43 C ATOM 736 C ALA A 46 29.846 29.247 4.443 1.00 11.15 C ATOM 737 O ALA A 46 30.809 28.500 4.263 1.00 11.45 O ATOM 738 CB ALA A 46 30.440 31.583 5.112 1.00 54.44 C ATOM 0 H ALA A 46 27.835 30.472 3.670 1.00 43.34 H new ATOM 0 HA ALA A 46 30.556 30.773 3.134 1.00 25.43 H new ATOM 0 HB1 ALA A 46 31.426 31.223 5.407 1.00 54.44 H new ATOM 0 HB2 ALA A 46 30.519 32.612 4.760 1.00 54.44 H new ATOM 0 HB3 ALA A 46 29.768 31.544 5.969 1.00 54.44 H new ATOM 744 N LEU A 47 28.722 28.848 5.027 1.00 31.23 N ATOM 745 CA LEU A 47 28.549 27.479 5.501 1.00 55.44 C ATOM 746 C LEU A 47 29.508 27.175 6.647 1.00 42.32 C ATOM 747 O LEU A 47 30.174 28.070 7.168 1.00 51.11 O ATOM 748 CB LEU A 47 28.775 26.490 4.356 1.00 53.24 C ATOM 749 CG LEU A 47 28.199 26.892 2.997 1.00 33.54 C ATOM 750 CD1 LEU A 47 29.316 27.178 2.006 1.00 32.42 C ATOM 751 CD2 LEU A 47 27.277 25.804 2.466 1.00 34.54 C ATOM 0 H LEU A 47 27.916 29.453 5.184 1.00 31.23 H new ATOM 0 HA LEU A 47 27.528 27.374 5.868 1.00 55.44 H new ATOM 0 HB2 LEU A 47 29.848 26.336 4.242 1.00 53.24 H new ATOM 0 HB3 LEU A 47 28.344 25.530 4.641 1.00 53.24 H new ATOM 0 HG LEU A 47 27.616 27.804 3.127 1.00 33.54 H new ATOM 0 HD11 LEU A 47 28.886 27.462 1.045 1.00 32.42 H new ATOM 0 HD12 LEU A 47 29.936 27.992 2.381 1.00 32.42 H new ATOM 0 HD13 LEU A 47 29.928 26.285 1.880 1.00 32.42 H new ATOM 0 HD21 LEU A 47 26.876 26.107 1.499 1.00 34.54 H new ATOM 0 HD22 LEU A 47 27.837 24.876 2.352 1.00 34.54 H new ATOM 0 HD23 LEU A 47 26.456 25.649 3.166 1.00 34.54 H new ATOM 763 N PHE A 48 29.575 25.906 7.034 1.00 25.41 N ATOM 764 CA PHE A 48 30.454 25.482 8.118 1.00 40.51 C ATOM 765 C PHE A 48 31.573 24.587 7.593 1.00 30.12 C ATOM 766 O PHE A 48 31.318 23.571 6.948 1.00 62.41 O ATOM 767 CB PHE A 48 29.655 24.742 9.192 1.00 74.23 C ATOM 768 CG PHE A 48 28.829 23.609 8.651 1.00 11.52 C ATOM 769 CD1 PHE A 48 27.565 23.842 8.132 1.00 43.13 C ATOM 770 CD2 PHE A 48 29.317 22.312 8.661 1.00 3.44 C ATOM 771 CE1 PHE A 48 26.804 22.801 7.633 1.00 33.13 C ATOM 772 CE2 PHE A 48 28.560 21.269 8.163 1.00 2.21 C ATOM 773 CZ PHE A 48 27.302 21.514 7.650 1.00 62.01 C ATOM 0 H PHE A 48 29.031 25.153 6.613 1.00 25.41 H new ATOM 0 HA PHE A 48 30.902 26.373 8.558 1.00 40.51 H new ATOM 0 HB2 PHE A 48 30.343 24.353 9.942 1.00 74.23 H new ATOM 0 HB3 PHE A 48 28.999 25.450 9.698 1.00 74.23 H new ATOM 0 HD1 PHE A 48 27.170 24.847 8.117 1.00 43.13 H new ATOM 0 HD2 PHE A 48 30.300 22.114 9.063 1.00 3.44 H new ATOM 0 HE1 PHE A 48 25.821 22.995 7.230 1.00 33.13 H new ATOM 0 HE2 PHE A 48 28.952 20.263 8.175 1.00 2.21 H new ATOM 0 HZ PHE A 48 26.708 20.699 7.262 1.00 62.01 H new ATOM 783 N SER A 49 32.813 24.973 7.876 1.00 74.44 N ATOM 784 CA SER A 49 33.971 24.208 7.429 1.00 42.41 C ATOM 785 C SER A 49 35.010 24.096 8.542 1.00 54.44 C ATOM 786 O SER A 49 35.843 24.986 8.718 1.00 24.45 O ATOM 787 CB SER A 49 34.597 24.863 6.195 1.00 1.04 C ATOM 788 OG SER A 49 35.764 24.170 5.787 1.00 13.44 O ATOM 0 H SER A 49 33.041 25.810 8.412 1.00 74.44 H new ATOM 0 HA SER A 49 33.634 23.205 7.167 1.00 42.41 H new ATOM 0 HB2 SER A 49 33.874 24.875 5.380 1.00 1.04 H new ATOM 0 HB3 SER A 49 34.845 25.901 6.417 1.00 1.04 H new ATOM 0 HG SER A 49 36.144 24.607 4.996 1.00 13.44 H new ATOM 794 N GLN A 50 34.954 22.998 9.287 1.00 51.04 N ATOM 795 CA GLN A 50 35.889 22.769 10.382 1.00 31.23 C ATOM 796 C GLN A 50 35.718 23.823 11.472 1.00 43.55 C ATOM 797 O GLN A 50 36.626 24.614 11.731 1.00 72.33 O ATOM 798 CB GLN A 50 37.328 22.782 9.864 1.00 53.15 C ATOM 799 CG GLN A 50 38.329 22.173 10.832 1.00 15.30 C ATOM 800 CD GLN A 50 39.764 22.499 10.469 1.00 51.54 C ATOM 801 OE1 GLN A 50 40.228 22.175 9.375 1.00 4.44 O ATOM 802 NE2 GLN A 50 40.475 23.143 11.386 1.00 3.41 N ATOM 0 H GLN A 50 34.271 22.252 9.153 1.00 51.04 H new ATOM 0 HA GLN A 50 35.675 21.790 10.811 1.00 31.23 H new ATOM 0 HB2 GLN A 50 37.371 22.238 8.920 1.00 53.15 H new ATOM 0 HB3 GLN A 50 37.620 23.811 9.652 1.00 53.15 H new ATOM 0 HG2 GLN A 50 38.122 22.535 11.839 1.00 15.30 H new ATOM 0 HG3 GLN A 50 38.200 21.091 10.850 1.00 15.30 H new ATOM 0 HE21 GLN A 50 40.050 23.392 12.279 1.00 3.41 H new ATOM 0 HE22 GLN A 50 41.447 23.389 11.198 1.00 3.41 H new ATOM 811 N SER A 51 34.551 23.828 12.106 1.00 53.30 N ATOM 812 CA SER A 51 34.260 24.788 13.165 1.00 72.32 C ATOM 813 C SER A 51 34.271 26.214 12.622 1.00 20.45 C ATOM 814 O SER A 51 35.291 26.900 12.672 1.00 74.15 O ATOM 815 CB SER A 51 35.279 24.653 14.298 1.00 12.30 C ATOM 816 OG SER A 51 34.731 23.942 15.394 1.00 62.03 O ATOM 0 H SER A 51 33.791 23.178 11.905 1.00 53.30 H new ATOM 0 HA SER A 51 33.265 24.573 13.554 1.00 72.32 H new ATOM 0 HB2 SER A 51 36.167 24.137 13.933 1.00 12.30 H new ATOM 0 HB3 SER A 51 35.597 25.643 14.625 1.00 12.30 H new ATOM 0 HG SER A 51 35.402 23.868 16.104 1.00 62.03 H new ATOM 822 N ALA A 52 33.127 26.653 12.107 1.00 24.24 N ATOM 823 CA ALA A 52 33.004 27.998 11.558 1.00 33.34 C ATOM 824 C ALA A 52 32.477 28.972 12.606 1.00 51.23 C ATOM 825 O ALA A 52 33.128 29.969 12.923 1.00 62.44 O ATOM 826 CB ALA A 52 32.092 27.988 10.340 1.00 41.45 C ATOM 0 H ALA A 52 32.273 26.097 12.059 1.00 24.24 H new ATOM 0 HA ALA A 52 33.996 28.333 11.254 1.00 33.34 H new ATOM 0 HB1 ALA A 52 32.009 28.998 9.940 1.00 41.45 H new ATOM 0 HB2 ALA A 52 32.509 27.329 9.578 1.00 41.45 H new ATOM 0 HB3 ALA A 52 31.104 27.629 10.628 1.00 41.45 H new ATOM 832 N ILE A 53 31.296 28.679 13.139 1.00 2.14 N ATOM 833 CA ILE A 53 30.684 29.530 14.152 1.00 14.45 C ATOM 834 C ILE A 53 30.337 28.733 15.405 1.00 43.25 C ATOM 835 O ILE A 53 29.880 29.291 16.402 1.00 22.33 O ATOM 836 CB ILE A 53 29.408 30.208 13.620 1.00 14.54 C ATOM 837 CG1 ILE A 53 28.623 29.243 12.730 1.00 52.12 C ATOM 838 CG2 ILE A 53 29.762 31.476 12.855 1.00 74.40 C ATOM 839 CD1 ILE A 53 27.134 29.509 12.714 1.00 21.22 C ATOM 0 H ILE A 53 30.744 27.859 12.887 1.00 2.14 H new ATOM 0 HA ILE A 53 31.417 30.297 14.404 1.00 14.45 H new ATOM 0 HB ILE A 53 28.779 30.482 14.467 1.00 14.54 H new ATOM 0 HG12 ILE A 53 29.006 29.308 11.712 1.00 52.12 H new ATOM 0 HG13 ILE A 53 28.798 28.223 13.072 1.00 52.12 H new ATOM 0 HG21 ILE A 53 28.850 31.944 12.485 1.00 74.40 H new ATOM 0 HG22 ILE A 53 30.282 32.168 13.518 1.00 74.40 H new ATOM 0 HG23 ILE A 53 30.408 31.225 12.014 1.00 74.40 H new ATOM 0 HD11 ILE A 53 26.642 28.787 12.062 1.00 21.22 H new ATOM 0 HD12 ILE A 53 26.737 29.415 13.725 1.00 21.22 H new ATOM 0 HD13 ILE A 53 26.948 30.517 12.343 1.00 21.22 H new ATOM 851 N SER A 54 30.560 27.423 15.346 1.00 12.25 N ATOM 852 CA SER A 54 30.270 26.547 16.475 1.00 73.31 C ATOM 853 C SER A 54 28.772 26.503 16.757 1.00 75.31 C ATOM 854 O SER A 54 28.134 27.539 16.944 1.00 61.51 O ATOM 855 CB SER A 54 31.020 27.020 17.721 1.00 0.52 C ATOM 856 OG SER A 54 31.530 25.922 18.457 1.00 31.23 O ATOM 0 H SER A 54 30.940 26.946 14.529 1.00 12.25 H new ATOM 0 HA SER A 54 30.604 25.542 16.218 1.00 73.31 H new ATOM 0 HB2 SER A 54 31.839 27.678 17.429 1.00 0.52 H new ATOM 0 HB3 SER A 54 30.351 27.605 18.352 1.00 0.52 H new ATOM 0 HG SER A 54 32.137 26.249 19.153 1.00 31.23 H new ATOM 862 N GLN A 55 28.216 25.296 16.784 1.00 25.51 N ATOM 863 CA GLN A 55 26.793 25.115 17.042 1.00 60.53 C ATOM 864 C GLN A 55 26.339 25.976 18.216 1.00 14.00 C ATOM 865 O GLN A 55 25.568 26.922 18.045 1.00 61.12 O ATOM 866 CB GLN A 55 26.486 23.643 17.326 1.00 40.54 C ATOM 867 CG GLN A 55 27.634 22.900 17.990 1.00 43.41 C ATOM 868 CD GLN A 55 28.411 22.036 17.017 1.00 41.11 C ATOM 869 OE1 GLN A 55 29.458 22.440 16.510 1.00 1.23 O ATOM 870 NE2 GLN A 55 27.902 20.839 16.750 1.00 63.00 N ATOM 0 H GLN A 55 28.730 24.429 16.630 1.00 25.51 H new ATOM 0 HA GLN A 55 26.247 25.427 16.152 1.00 60.53 H new ATOM 0 HB2 GLN A 55 25.606 23.581 17.966 1.00 40.54 H new ATOM 0 HB3 GLN A 55 26.235 23.145 16.389 1.00 40.54 H new ATOM 0 HG2 GLN A 55 28.310 23.621 18.450 1.00 43.41 H new ATOM 0 HG3 GLN A 55 27.241 22.275 18.792 1.00 43.41 H new ATOM 0 HE21 GLN A 55 27.032 20.545 17.193 1.00 63.00 H new ATOM 0 HE22 GLN A 55 28.381 20.214 16.102 1.00 63.00 H new ATOM 879 N LYS A 56 26.821 25.644 19.408 1.00 21.23 N ATOM 880 CA LYS A 56 26.466 26.387 20.612 1.00 14.10 C ATOM 881 C LYS A 56 24.982 26.744 20.614 1.00 61.31 C ATOM 882 O LYS A 56 24.171 26.062 19.987 1.00 41.40 O ATOM 883 CB LYS A 56 27.307 27.661 20.716 1.00 12.40 C ATOM 884 CG LYS A 56 28.781 27.442 20.422 1.00 53.42 C ATOM 885 CD LYS A 56 29.459 26.651 21.528 1.00 70.24 C ATOM 886 CE LYS A 56 29.848 25.258 21.058 1.00 53.23 C ATOM 887 NZ LYS A 56 29.643 24.236 22.121 1.00 63.24 N ATOM 0 H LYS A 56 27.459 24.864 19.567 1.00 21.23 H new ATOM 0 HA LYS A 56 26.670 25.752 21.474 1.00 14.10 H new ATOM 0 HB2 LYS A 56 26.913 28.404 20.022 1.00 12.40 H new ATOM 0 HB3 LYS A 56 27.203 28.074 21.719 1.00 12.40 H new ATOM 0 HG2 LYS A 56 28.889 26.912 19.476 1.00 53.42 H new ATOM 0 HG3 LYS A 56 29.277 28.406 20.306 1.00 53.42 H new ATOM 0 HD2 LYS A 56 30.348 27.184 21.866 1.00 70.24 H new ATOM 0 HD3 LYS A 56 28.789 26.574 22.385 1.00 70.24 H new ATOM 0 HE2 LYS A 56 29.258 24.993 20.181 1.00 53.23 H new ATOM 0 HE3 LYS A 56 30.894 25.257 20.751 1.00 53.23 H new ATOM 0 HZ1 LYS A 56 29.920 23.300 21.761 1.00 63.24 H new ATOM 0 HZ2 LYS A 56 30.225 24.475 22.949 1.00 63.24 H new ATOM 0 HZ3 LYS A 56 28.640 24.218 22.397 1.00 63.24 H new ATOM 901 N GLU A 57 24.637 27.815 21.321 1.00 30.12 N ATOM 902 CA GLU A 57 23.250 28.260 21.403 1.00 53.03 C ATOM 903 C GLU A 57 22.754 28.745 20.043 1.00 23.33 C ATOM 904 O GLU A 57 21.559 28.974 19.853 1.00 72.10 O ATOM 905 CB GLU A 57 23.111 29.379 22.437 1.00 65.03 C ATOM 906 CG GLU A 57 23.740 29.048 23.780 1.00 61.54 C ATOM 907 CD GLU A 57 23.349 30.031 24.865 1.00 4.43 C ATOM 908 OE1 GLU A 57 23.976 31.109 24.943 1.00 61.34 O ATOM 909 OE2 GLU A 57 22.418 29.724 25.638 1.00 33.42 O ATOM 0 H GLU A 57 25.297 28.390 21.845 1.00 30.12 H new ATOM 0 HA GLU A 57 22.640 27.411 21.712 1.00 53.03 H new ATOM 0 HB2 GLU A 57 23.571 30.285 22.043 1.00 65.03 H new ATOM 0 HB3 GLU A 57 22.053 29.597 22.584 1.00 65.03 H new ATOM 0 HG2 GLU A 57 23.440 28.044 24.080 1.00 61.54 H new ATOM 0 HG3 GLU A 57 24.825 29.039 23.677 1.00 61.54 H new ATOM 916 N TYR A 58 23.679 28.899 19.103 1.00 34.21 N ATOM 917 CA TYR A 58 23.336 29.359 17.762 1.00 64.53 C ATOM 918 C TYR A 58 22.376 28.388 17.082 1.00 40.45 C ATOM 919 O TYR A 58 22.657 27.195 16.970 1.00 65.10 O ATOM 920 CB TYR A 58 24.601 29.519 16.917 1.00 52.11 C ATOM 921 CG TYR A 58 24.918 30.956 16.568 1.00 45.11 C ATOM 922 CD1 TYR A 58 24.653 31.984 17.465 1.00 63.00 C ATOM 923 CD2 TYR A 58 25.484 31.285 15.342 1.00 5.34 C ATOM 924 CE1 TYR A 58 24.940 33.298 17.150 1.00 22.05 C ATOM 925 CE2 TYR A 58 25.776 32.597 15.020 1.00 23.33 C ATOM 926 CZ TYR A 58 25.502 33.600 15.927 1.00 64.23 C ATOM 927 OH TYR A 58 25.791 34.907 15.610 1.00 25.42 O ATOM 0 H TYR A 58 24.672 28.712 19.244 1.00 34.21 H new ATOM 0 HA TYR A 58 22.842 30.326 17.852 1.00 64.53 H new ATOM 0 HB2 TYR A 58 25.445 29.090 17.457 1.00 52.11 H new ATOM 0 HB3 TYR A 58 24.488 28.947 15.996 1.00 52.11 H new ATOM 0 HD1 TYR A 58 24.215 31.752 18.425 1.00 63.00 H new ATOM 0 HD2 TYR A 58 25.699 30.503 14.629 1.00 5.34 H new ATOM 0 HE1 TYR A 58 24.725 34.085 17.858 1.00 22.05 H new ATOM 0 HE2 TYR A 58 26.216 32.836 14.063 1.00 23.33 H new ATOM 0 HH TYR A 58 26.183 34.947 14.713 1.00 25.42 H new ATOM 937 N ASP A 59 21.242 28.909 16.627 1.00 30.45 N ATOM 938 CA ASP A 59 20.240 28.091 15.956 1.00 74.52 C ATOM 939 C ASP A 59 20.112 28.483 14.487 1.00 40.21 C ATOM 940 O ASP A 59 20.924 29.248 13.966 1.00 43.21 O ATOM 941 CB ASP A 59 18.884 28.231 16.653 1.00 44.34 C ATOM 942 CG ASP A 59 18.996 28.118 18.160 1.00 22.44 C ATOM 943 OD1 ASP A 59 19.266 27.002 18.653 1.00 11.04 O ATOM 944 OD2 ASP A 59 18.813 29.145 18.846 1.00 30.41 O ATOM 0 H ASP A 59 20.994 29.895 16.711 1.00 30.45 H new ATOM 0 HA ASP A 59 20.562 27.051 16.010 1.00 74.52 H new ATOM 0 HB2 ASP A 59 18.443 29.194 16.395 1.00 44.34 H new ATOM 0 HB3 ASP A 59 18.207 27.461 16.283 1.00 44.34 H new ATOM 949 N SER A 60 19.089 27.954 13.824 1.00 24.21 N ATOM 950 CA SER A 60 18.858 28.245 12.414 1.00 45.13 C ATOM 951 C SER A 60 17.962 29.469 12.251 1.00 71.53 C ATOM 952 O SER A 60 17.920 30.083 11.186 1.00 13.10 O ATOM 953 CB SER A 60 18.225 27.038 11.720 1.00 75.32 C ATOM 954 OG SER A 60 18.034 25.968 12.628 1.00 3.44 O ATOM 0 H SER A 60 18.406 27.321 14.241 1.00 24.21 H new ATOM 0 HA SER A 60 19.821 28.458 11.950 1.00 45.13 H new ATOM 0 HB2 SER A 60 17.267 27.326 11.286 1.00 75.32 H new ATOM 0 HB3 SER A 60 18.862 26.712 10.898 1.00 75.32 H new ATOM 0 HG SER A 60 17.627 25.210 12.159 1.00 3.44 H new ATOM 960 N SER A 61 17.247 29.815 13.316 1.00 12.34 N ATOM 961 CA SER A 61 16.347 30.963 13.291 1.00 45.41 C ATOM 962 C SER A 61 17.106 32.241 12.945 1.00 64.31 C ATOM 963 O SER A 61 16.549 33.166 12.352 1.00 65.01 O ATOM 964 CB SER A 61 15.651 31.121 14.645 1.00 50.14 C ATOM 965 OG SER A 61 14.279 31.438 14.479 1.00 51.24 O ATOM 0 H SER A 61 17.273 29.318 14.206 1.00 12.34 H new ATOM 0 HA SER A 61 15.595 30.788 12.521 1.00 45.41 H new ATOM 0 HB2 SER A 61 15.748 30.198 15.217 1.00 50.14 H new ATOM 0 HB3 SER A 61 16.142 31.906 15.220 1.00 50.14 H new ATOM 0 HG SER A 61 13.856 31.532 15.358 1.00 51.24 H new ATOM 971 N LEU A 62 18.380 32.284 13.320 1.00 51.25 N ATOM 972 CA LEU A 62 19.217 33.448 13.049 1.00 43.23 C ATOM 973 C LEU A 62 19.943 33.299 11.716 1.00 23.21 C ATOM 974 O LEU A 62 20.796 34.115 11.368 1.00 71.34 O ATOM 975 CB LEU A 62 20.233 33.644 14.177 1.00 64.54 C ATOM 976 CG LEU A 62 21.428 32.689 14.176 1.00 54.23 C ATOM 977 CD1 LEU A 62 22.697 33.424 13.771 1.00 2.31 C ATOM 978 CD2 LEU A 62 21.596 32.043 15.543 1.00 43.54 C ATOM 0 H LEU A 62 18.855 31.527 13.812 1.00 51.25 H new ATOM 0 HA LEU A 62 18.571 34.324 12.993 1.00 43.23 H new ATOM 0 HB2 LEU A 62 20.610 34.666 14.127 1.00 64.54 H new ATOM 0 HB3 LEU A 62 19.713 33.543 15.129 1.00 64.54 H new ATOM 0 HG LEU A 62 21.240 31.902 13.446 1.00 54.23 H new ATOM 0 HD11 LEU A 62 23.537 32.729 13.776 1.00 2.31 H new ATOM 0 HD12 LEU A 62 22.574 33.838 12.770 1.00 2.31 H new ATOM 0 HD13 LEU A 62 22.890 34.232 14.477 1.00 2.31 H new ATOM 0 HD21 LEU A 62 22.451 31.367 15.523 1.00 43.54 H new ATOM 0 HD22 LEU A 62 21.762 32.816 16.293 1.00 43.54 H new ATOM 0 HD23 LEU A 62 20.696 31.482 15.794 1.00 43.54 H new ATOM 990 N ALA A 63 19.597 32.252 10.973 1.00 4.42 N ATOM 991 CA ALA A 63 20.212 31.998 9.677 1.00 22.32 C ATOM 992 C ALA A 63 19.157 31.883 8.582 1.00 62.33 C ATOM 993 O ALA A 63 17.989 31.607 8.857 1.00 3.35 O ATOM 994 CB ALA A 63 21.059 30.736 9.732 1.00 64.12 C ATOM 0 H ALA A 63 18.894 31.566 11.247 1.00 4.42 H new ATOM 0 HA ALA A 63 20.857 32.844 9.437 1.00 22.32 H new ATOM 0 HB1 ALA A 63 21.512 30.559 8.757 1.00 64.12 H new ATOM 0 HB2 ALA A 63 21.843 30.856 10.480 1.00 64.12 H new ATOM 0 HB3 ALA A 63 20.430 29.887 9.999 1.00 64.12 H new ATOM 1000 N THR A 64 19.576 32.096 7.339 1.00 54.14 N ATOM 1001 CA THR A 64 18.666 32.017 6.202 1.00 44.11 C ATOM 1002 C THR A 64 18.578 30.593 5.666 1.00 31.35 C ATOM 1003 O THR A 64 19.396 30.174 4.846 1.00 24.41 O ATOM 1004 CB THR A 64 19.109 32.954 5.063 1.00 11.40 C ATOM 1005 OG1 THR A 64 20.342 33.596 5.407 1.00 3.33 O ATOM 1006 CG2 THR A 64 18.046 34.006 4.783 1.00 74.34 C ATOM 0 H THR A 64 20.539 32.325 7.093 1.00 54.14 H new ATOM 0 HA THR A 64 17.685 32.329 6.560 1.00 44.11 H new ATOM 0 HB THR A 64 19.251 32.354 4.164 1.00 11.40 H new ATOM 0 HG1 THR A 64 20.617 34.189 4.677 1.00 3.33 H new ATOM 0 HG21 THR A 64 18.381 34.656 3.975 1.00 74.34 H new ATOM 0 HG22 THR A 64 17.117 33.516 4.493 1.00 74.34 H new ATOM 0 HG23 THR A 64 17.877 34.601 5.681 1.00 74.34 H new ATOM 1045 N HIS A 67 12.469 25.717 6.345 1.00 32.31 N ATOM 1046 CA HIS A 67 12.311 24.285 6.570 1.00 73.43 C ATOM 1047 C HIS A 67 10.947 23.805 6.081 1.00 2.44 C ATOM 1048 O HIS A 67 9.966 24.550 6.114 1.00 44.13 O ATOM 1049 CB HIS A 67 12.477 23.959 8.055 1.00 50.13 C ATOM 1050 CG HIS A 67 13.456 24.849 8.757 1.00 62.20 C ATOM 1051 ND1 HIS A 67 13.093 25.723 9.759 1.00 20.31 N ATOM 1052 CD2 HIS A 67 14.792 24.994 8.598 1.00 51.44 C ATOM 1053 CE1 HIS A 67 14.164 26.369 10.185 1.00 12.40 C ATOM 1054 NE2 HIS A 67 15.208 25.945 9.497 1.00 71.23 N ATOM 0 HA HIS A 67 13.084 23.766 6.003 1.00 73.43 H new ATOM 0 HB2 HIS A 67 11.508 24.039 8.547 1.00 50.13 H new ATOM 0 HB3 HIS A 67 12.801 22.923 8.157 1.00 50.13 H new ATOM 0 HD2 HIS A 67 15.415 24.461 7.895 1.00 51.44 H new ATOM 0 HE1 HIS A 67 14.182 27.117 10.964 1.00 12.40 H new ATOM 0 HE2 HIS A 67 16.167 26.271 9.614 1.00 71.23 H new ATOM 1062 N THR A 68 10.892 22.557 5.628 1.00 74.12 N ATOM 1063 CA THR A 68 9.650 21.978 5.130 1.00 12.44 C ATOM 1064 C THR A 68 9.301 20.696 5.879 1.00 43.25 C ATOM 1065 O THR A 68 9.841 19.630 5.584 1.00 51.33 O ATOM 1066 CB THR A 68 9.736 21.673 3.623 1.00 64.31 C ATOM 1067 OG1 THR A 68 9.834 22.893 2.880 1.00 2.23 O ATOM 1068 CG2 THR A 68 8.518 20.888 3.159 1.00 4.12 C ATOM 0 H THR A 68 11.694 21.927 5.596 1.00 74.12 H new ATOM 0 HA THR A 68 8.867 22.718 5.298 1.00 12.44 H new ATOM 0 HB THR A 68 10.627 21.069 3.448 1.00 64.31 H new ATOM 0 HG1 THR A 68 10.741 23.254 2.962 1.00 2.23 H new ATOM 0 HG21 THR A 68 8.601 20.684 2.091 1.00 4.12 H new ATOM 0 HG22 THR A 68 8.463 19.946 3.705 1.00 4.12 H new ATOM 0 HG23 THR A 68 7.616 21.470 3.348 1.00 4.12 H new ATOM 1076 N GLU A 69 8.397 20.808 6.847 1.00 44.24 N ATOM 1077 CA GLU A 69 7.979 19.656 7.636 1.00 63.24 C ATOM 1078 C GLU A 69 7.199 18.664 6.779 1.00 32.42 C ATOM 1079 O GLU A 69 6.170 19.007 6.195 1.00 51.44 O ATOM 1080 CB GLU A 69 7.124 20.107 8.822 1.00 24.51 C ATOM 1081 CG GLU A 69 5.866 20.854 8.416 1.00 10.34 C ATOM 1082 CD GLU A 69 5.701 22.166 9.160 1.00 74.41 C ATOM 1083 OE1 GLU A 69 5.103 22.154 10.256 1.00 55.53 O ATOM 1084 OE2 GLU A 69 6.169 23.203 8.646 1.00 55.44 O ATOM 0 H GLU A 69 7.941 21.684 7.103 1.00 44.24 H new ATOM 0 HA GLU A 69 8.874 19.159 8.011 1.00 63.24 H new ATOM 0 HB2 GLU A 69 6.844 19.233 9.410 1.00 24.51 H new ATOM 0 HB3 GLU A 69 7.724 20.747 9.469 1.00 24.51 H new ATOM 0 HG2 GLU A 69 5.894 21.049 7.344 1.00 10.34 H new ATOM 0 HG3 GLU A 69 4.997 20.223 8.602 1.00 10.34 H new ATOM 1091 N ILE A 70 7.694 17.433 6.710 1.00 40.21 N ATOM 1092 CA ILE A 70 7.043 16.390 5.925 1.00 1.43 C ATOM 1093 C ILE A 70 5.928 15.721 6.720 1.00 13.21 C ATOM 1094 O ILE A 70 6.100 15.382 7.891 1.00 65.13 O ATOM 1095 CB ILE A 70 8.050 15.318 5.470 1.00 74.50 C ATOM 1096 CG1 ILE A 70 9.121 15.940 4.572 1.00 5.32 C ATOM 1097 CG2 ILE A 70 7.330 14.192 4.742 1.00 23.25 C ATOM 1098 CD1 ILE A 70 10.296 16.508 5.338 1.00 72.34 C ATOM 0 H ILE A 70 8.544 17.133 7.188 1.00 40.21 H new ATOM 0 HA ILE A 70 6.619 16.874 5.045 1.00 1.43 H new ATOM 0 HB ILE A 70 8.539 14.902 6.351 1.00 74.50 H new ATOM 0 HG12 ILE A 70 9.483 15.184 3.875 1.00 5.32 H new ATOM 0 HG13 ILE A 70 8.669 16.733 3.976 1.00 5.32 H new ATOM 0 HG21 ILE A 70 8.054 13.441 4.426 1.00 23.25 H new ATOM 0 HG22 ILE A 70 6.601 13.734 5.411 1.00 23.25 H new ATOM 0 HG23 ILE A 70 6.818 14.593 3.867 1.00 23.25 H new ATOM 0 HD11 ILE A 70 11.016 16.932 4.638 1.00 72.34 H new ATOM 0 HD12 ILE A 70 9.946 17.287 6.016 1.00 72.34 H new ATOM 0 HD13 ILE A 70 10.773 15.714 5.913 1.00 72.34 H new ATOM 1110 N LYS A 71 4.781 15.531 6.075 1.00 64.34 N ATOM 1111 CA LYS A 71 3.636 14.898 6.719 1.00 1.41 C ATOM 1112 C LYS A 71 3.194 13.658 5.947 1.00 4.44 C ATOM 1113 O LYS A 71 3.703 13.378 4.863 1.00 61.14 O ATOM 1114 CB LYS A 71 2.473 15.888 6.824 1.00 64.12 C ATOM 1115 CG LYS A 71 2.161 16.601 5.519 1.00 65.12 C ATOM 1116 CD LYS A 71 2.149 18.109 5.697 1.00 4.23 C ATOM 1117 CE LYS A 71 3.455 18.736 5.235 1.00 41.22 C ATOM 1118 NZ LYS A 71 3.247 19.684 4.106 1.00 33.33 N ATOM 0 H LYS A 71 4.620 15.807 5.106 1.00 64.34 H new ATOM 0 HA LYS A 71 3.937 14.592 7.721 1.00 1.41 H new ATOM 0 HB2 LYS A 71 1.583 15.356 7.159 1.00 64.12 H new ATOM 0 HB3 LYS A 71 2.707 16.630 7.587 1.00 64.12 H new ATOM 0 HG2 LYS A 71 2.902 16.328 4.768 1.00 65.12 H new ATOM 0 HG3 LYS A 71 1.192 16.270 5.145 1.00 65.12 H new ATOM 0 HD2 LYS A 71 1.320 18.536 5.133 1.00 4.23 H new ATOM 0 HD3 LYS A 71 1.979 18.351 6.746 1.00 4.23 H new ATOM 0 HE2 LYS A 71 3.921 19.261 6.069 1.00 41.22 H new ATOM 0 HE3 LYS A 71 4.146 17.951 4.927 1.00 41.22 H new ATOM 0 HZ1 LYS A 71 4.161 20.090 3.821 1.00 33.33 H new ATOM 0 HZ2 LYS A 71 2.826 19.178 3.301 1.00 33.33 H new ATOM 0 HZ3 LYS A 71 2.608 20.447 4.407 1.00 33.33 H new ATOM 1132 N ALA A 72 2.245 12.922 6.514 1.00 21.32 N ATOM 1133 CA ALA A 72 1.733 11.715 5.878 1.00 35.11 C ATOM 1134 C ALA A 72 0.896 12.054 4.649 1.00 33.23 C ATOM 1135 O ALA A 72 0.065 12.963 4.667 1.00 72.12 O ATOM 1136 CB ALA A 72 0.914 10.902 6.869 1.00 74.44 C ATOM 0 H ALA A 72 1.815 13.140 7.413 1.00 21.32 H new ATOM 0 HA ALA A 72 2.584 11.118 5.552 1.00 35.11 H new ATOM 0 HB1 ALA A 72 0.538 10.003 6.380 1.00 74.44 H new ATOM 0 HB2 ALA A 72 1.542 10.619 7.714 1.00 74.44 H new ATOM 0 HB3 ALA A 72 0.075 11.500 7.224 1.00 74.44 H new ATOM 1142 N PRO A 73 1.117 11.309 3.556 1.00 10.42 N ATOM 1143 CA PRO A 73 0.392 11.514 2.299 1.00 40.55 C ATOM 1144 C PRO A 73 -1.073 11.104 2.400 1.00 23.12 C ATOM 1145 O PRO A 73 -1.951 11.752 1.830 1.00 43.03 O ATOM 1146 CB PRO A 73 1.134 10.610 1.310 1.00 24.52 C ATOM 1147 CG PRO A 73 1.750 9.549 2.156 1.00 5.53 C ATOM 1148 CD PRO A 73 2.093 10.211 3.464 1.00 74.45 C ATOM 0 HA PRO A 73 0.373 12.564 2.007 1.00 40.55 H new ATOM 0 HB2 PRO A 73 0.452 10.184 0.575 1.00 24.52 H new ATOM 0 HB3 PRO A 73 1.892 11.166 0.757 1.00 24.52 H new ATOM 0 HG2 PRO A 73 1.059 8.720 2.307 1.00 5.53 H new ATOM 0 HG3 PRO A 73 2.641 9.139 1.681 1.00 5.53 H new ATOM 0 HD2 PRO A 73 2.000 9.519 4.301 1.00 74.45 H new ATOM 0 HD3 PRO A 73 3.118 10.582 3.470 1.00 74.45 H new ATOM 1156 N PHE A 74 -1.330 10.024 3.130 1.00 73.10 N ATOM 1157 CA PHE A 74 -2.690 9.527 3.307 1.00 60.25 C ATOM 1158 C PHE A 74 -2.809 8.712 4.591 1.00 75.00 C ATOM 1159 O PHE A 74 -3.834 8.078 4.845 1.00 54.50 O ATOM 1160 CB PHE A 74 -3.102 8.671 2.107 1.00 75.01 C ATOM 1161 CG PHE A 74 -1.938 8.087 1.358 1.00 2.22 C ATOM 1162 CD1 PHE A 74 -1.124 7.136 1.950 1.00 25.04 C ATOM 1163 CD2 PHE A 74 -1.658 8.491 0.063 1.00 62.33 C ATOM 1164 CE1 PHE A 74 -0.051 6.596 1.265 1.00 12.15 C ATOM 1165 CE2 PHE A 74 -0.588 7.954 -0.629 1.00 62.31 C ATOM 1166 CZ PHE A 74 0.217 7.007 -0.026 1.00 55.41 C ATOM 0 H PHE A 74 -0.615 9.476 3.609 1.00 73.10 H new ATOM 0 HA PHE A 74 -3.357 10.386 3.380 1.00 60.25 H new ATOM 0 HB2 PHE A 74 -3.745 7.861 2.452 1.00 75.01 H new ATOM 0 HB3 PHE A 74 -3.695 9.279 1.424 1.00 75.01 H new ATOM 0 HD1 PHE A 74 -1.330 6.812 2.959 1.00 25.04 H new ATOM 0 HD2 PHE A 74 -2.282 9.234 -0.411 1.00 62.33 H new ATOM 0 HE1 PHE A 74 0.576 5.855 1.738 1.00 12.15 H new ATOM 0 HE2 PHE A 74 -0.382 8.275 -1.640 1.00 62.31 H new ATOM 0 HZ PHE A 74 1.055 6.588 -0.564 1.00 55.41 H new ATOM 1176 N ASP A 75 -1.753 8.732 5.398 1.00 13.21 N ATOM 1177 CA ASP A 75 -1.739 7.997 6.656 1.00 65.23 C ATOM 1178 C ASP A 75 -1.541 6.504 6.411 1.00 13.01 C ATOM 1179 O ASP A 75 -1.653 6.030 5.281 1.00 12.22 O ATOM 1180 CB ASP A 75 -3.039 8.233 7.425 1.00 73.31 C ATOM 1181 CG ASP A 75 -3.841 6.959 7.610 1.00 5.33 C ATOM 1182 OD1 ASP A 75 -4.298 6.393 6.596 1.00 20.33 O ATOM 1183 OD2 ASP A 75 -4.012 6.529 8.771 1.00 51.24 O ATOM 0 H ASP A 75 -0.896 9.250 5.202 1.00 13.21 H new ATOM 0 HA ASP A 75 -0.903 8.363 7.252 1.00 65.23 H new ATOM 0 HB2 ASP A 75 -2.808 8.659 8.401 1.00 73.31 H new ATOM 0 HB3 ASP A 75 -3.645 8.966 6.893 1.00 73.31 H new ATOM 1188 N GLY A 76 -1.246 5.768 7.478 1.00 21.33 N ATOM 1189 CA GLY A 76 -1.037 4.336 7.357 1.00 12.22 C ATOM 1190 C GLY A 76 -0.003 3.817 8.337 1.00 33.53 C ATOM 1191 O GLY A 76 0.334 4.491 9.311 1.00 64.10 O ATOM 0 H GLY A 76 -1.148 6.137 8.424 1.00 21.33 H new ATOM 0 HA2 GLY A 76 -1.982 3.819 7.522 1.00 12.22 H new ATOM 0 HA3 GLY A 76 -0.719 4.103 6.341 1.00 12.22 H new ATOM 1195 N THR A 77 0.500 2.613 8.081 1.00 12.52 N ATOM 1196 CA THR A 77 1.498 2.003 8.950 1.00 60.42 C ATOM 1197 C THR A 77 2.911 2.323 8.474 1.00 33.13 C ATOM 1198 O THR A 77 3.355 1.824 7.440 1.00 41.24 O ATOM 1199 CB THR A 77 1.325 0.474 9.014 1.00 65.32 C ATOM 1200 OG1 THR A 77 0.046 0.148 9.572 1.00 51.23 O ATOM 1201 CG2 THR A 77 2.425 -0.161 9.853 1.00 53.21 C ATOM 0 H THR A 77 0.232 2.042 7.279 1.00 12.52 H new ATOM 0 HA THR A 77 1.349 2.421 9.946 1.00 60.42 H new ATOM 0 HB THR A 77 1.390 0.081 7.999 1.00 65.32 H new ATOM 0 HG1 THR A 77 -0.057 -0.826 9.608 1.00 51.23 H new ATOM 0 HG21 THR A 77 2.282 -1.241 9.884 1.00 53.21 H new ATOM 0 HG22 THR A 77 3.396 0.064 9.411 1.00 53.21 H new ATOM 0 HG23 THR A 77 2.387 0.239 10.866 1.00 53.21 H new ATOM 1209 N ILE A 78 3.611 3.157 9.235 1.00 72.41 N ATOM 1210 CA ILE A 78 4.974 3.541 8.892 1.00 12.42 C ATOM 1211 C ILE A 78 5.970 2.460 9.297 1.00 71.52 C ATOM 1212 O ILE A 78 5.811 1.811 10.330 1.00 23.41 O ATOM 1213 CB ILE A 78 5.372 4.868 9.566 1.00 61.23 C ATOM 1214 CG1 ILE A 78 6.643 5.429 8.926 1.00 41.30 C ATOM 1215 CG2 ILE A 78 5.570 4.663 11.061 1.00 0.21 C ATOM 1216 CD1 ILE A 78 6.643 6.937 8.805 1.00 44.02 C ATOM 0 H ILE A 78 3.257 3.580 10.093 1.00 72.41 H new ATOM 0 HA ILE A 78 5.002 3.669 7.810 1.00 12.42 H new ATOM 0 HB ILE A 78 4.567 5.589 9.421 1.00 61.23 H new ATOM 0 HG12 ILE A 78 7.505 5.120 9.517 1.00 41.30 H new ATOM 0 HG13 ILE A 78 6.764 4.993 7.934 1.00 41.30 H new ATOM 0 HG21 ILE A 78 5.851 5.609 11.524 1.00 0.21 H new ATOM 0 HG22 ILE A 78 4.642 4.303 11.505 1.00 0.21 H new ATOM 0 HG23 ILE A 78 6.359 3.930 11.226 1.00 0.21 H new ATOM 0 HD11 ILE A 78 7.574 7.265 8.343 1.00 44.02 H new ATOM 0 HD12 ILE A 78 5.801 7.253 8.189 1.00 44.02 H new ATOM 0 HD13 ILE A 78 6.554 7.382 9.796 1.00 44.02 H new ATOM 1228 N GLY A 79 6.998 2.272 8.477 1.00 40.55 N ATOM 1229 CA GLY A 79 8.007 1.270 8.768 1.00 71.32 C ATOM 1230 C GLY A 79 9.144 1.816 9.607 1.00 13.44 C ATOM 1231 O GLY A 79 8.950 2.736 10.403 1.00 63.45 O ATOM 0 H GLY A 79 7.151 2.796 7.615 1.00 40.55 H new ATOM 0 HA2 GLY A 79 7.543 0.434 9.291 1.00 71.32 H new ATOM 0 HA3 GLY A 79 8.406 0.879 7.832 1.00 71.32 H new ATOM 1235 N ASP A 80 10.333 1.251 9.431 1.00 53.13 N ATOM 1236 CA ASP A 80 11.506 1.687 10.179 1.00 23.30 C ATOM 1237 C ASP A 80 12.210 2.836 9.464 1.00 15.22 C ATOM 1238 O ASP A 80 12.051 3.020 8.258 1.00 24.20 O ATOM 1239 CB ASP A 80 12.476 0.521 10.374 1.00 62.33 C ATOM 1240 CG ASP A 80 12.358 -0.107 11.748 1.00 31.12 C ATOM 1241 OD1 ASP A 80 13.049 0.362 12.677 1.00 54.45 O ATOM 1242 OD2 ASP A 80 11.574 -1.068 11.897 1.00 15.20 O ATOM 0 H ASP A 80 10.510 0.489 8.776 1.00 53.13 H new ATOM 0 HA ASP A 80 11.173 2.039 11.155 1.00 23.30 H new ATOM 0 HB2 ASP A 80 12.286 -0.237 9.614 1.00 62.33 H new ATOM 0 HB3 ASP A 80 13.497 0.873 10.225 1.00 62.33 H new ATOM 1247 N ALA A 81 12.986 3.608 10.218 1.00 70.45 N ATOM 1248 CA ALA A 81 13.714 4.738 9.656 1.00 43.42 C ATOM 1249 C ALA A 81 14.974 4.275 8.930 1.00 33.54 C ATOM 1250 O ALA A 81 15.897 3.742 9.547 1.00 73.21 O ATOM 1251 CB ALA A 81 14.071 5.734 10.751 1.00 64.52 C ATOM 0 H ALA A 81 13.126 3.471 11.219 1.00 70.45 H new ATOM 0 HA ALA A 81 13.067 5.229 8.929 1.00 43.42 H new ATOM 0 HB1 ALA A 81 14.615 6.573 10.317 1.00 64.52 H new ATOM 0 HB2 ALA A 81 13.159 6.098 11.223 1.00 64.52 H new ATOM 0 HB3 ALA A 81 14.696 5.245 11.498 1.00 64.52 H new ATOM 1257 N LEU A 82 15.004 4.481 7.618 1.00 22.11 N ATOM 1258 CA LEU A 82 16.150 4.083 6.808 1.00 12.34 C ATOM 1259 C LEU A 82 17.187 5.200 6.748 1.00 45.44 C ATOM 1260 O LEU A 82 18.388 4.942 6.662 1.00 42.10 O ATOM 1261 CB LEU A 82 15.697 3.716 5.394 1.00 75.42 C ATOM 1262 CG LEU A 82 16.467 4.375 4.250 1.00 74.04 C ATOM 1263 CD1 LEU A 82 17.847 3.754 4.108 1.00 44.51 C ATOM 1264 CD2 LEU A 82 15.690 4.256 2.946 1.00 43.23 C ATOM 0 H LEU A 82 14.248 4.921 7.093 1.00 22.11 H new ATOM 0 HA LEU A 82 16.608 3.211 7.274 1.00 12.34 H new ATOM 0 HB2 LEU A 82 15.771 2.635 5.280 1.00 75.42 H new ATOM 0 HB3 LEU A 82 14.643 3.976 5.293 1.00 75.42 H new ATOM 0 HG LEU A 82 16.589 5.433 4.482 1.00 74.04 H new ATOM 0 HD11 LEU A 82 18.380 4.236 3.289 1.00 44.51 H new ATOM 0 HD12 LEU A 82 18.405 3.891 5.034 1.00 44.51 H new ATOM 0 HD13 LEU A 82 17.747 2.689 3.899 1.00 44.51 H new ATOM 0 HD21 LEU A 82 16.253 4.731 2.142 1.00 43.23 H new ATOM 0 HD22 LEU A 82 15.536 3.203 2.709 1.00 43.23 H new ATOM 0 HD23 LEU A 82 14.724 4.749 3.052 1.00 43.23 H new ATOM 1276 N VAL A 83 16.717 6.441 6.795 1.00 14.13 N ATOM 1277 CA VAL A 83 17.604 7.598 6.749 1.00 53.11 C ATOM 1278 C VAL A 83 17.727 8.251 8.121 1.00 34.51 C ATOM 1279 O VAL A 83 16.998 7.908 9.051 1.00 74.23 O ATOM 1280 CB VAL A 83 17.107 8.646 5.736 1.00 53.30 C ATOM 1281 CG1 VAL A 83 17.228 8.117 4.316 1.00 45.14 C ATOM 1282 CG2 VAL A 83 15.672 9.046 6.044 1.00 40.03 C ATOM 0 H VAL A 83 15.726 6.672 6.865 1.00 14.13 H new ATOM 0 HA VAL A 83 18.582 7.235 6.434 1.00 53.11 H new ATOM 0 HB VAL A 83 17.734 9.533 5.822 1.00 53.30 H new ATOM 0 HG11 VAL A 83 16.872 8.872 3.615 1.00 45.14 H new ATOM 0 HG12 VAL A 83 18.271 7.886 4.101 1.00 45.14 H new ATOM 0 HG13 VAL A 83 16.628 7.213 4.212 1.00 45.14 H new ATOM 0 HG21 VAL A 83 15.337 9.787 5.318 1.00 40.03 H new ATOM 0 HG22 VAL A 83 15.029 8.167 5.988 1.00 40.03 H new ATOM 0 HG23 VAL A 83 15.620 9.470 7.047 1.00 40.03 H new ATOM 1292 N ASN A 84 18.654 9.196 8.240 1.00 53.34 N ATOM 1293 CA ASN A 84 18.873 9.898 9.499 1.00 41.02 C ATOM 1294 C ASN A 84 18.873 11.409 9.286 1.00 14.24 C ATOM 1295 O ASN A 84 18.591 11.892 8.190 1.00 75.24 O ATOM 1296 CB ASN A 84 20.197 9.460 10.127 1.00 44.40 C ATOM 1297 CG ASN A 84 20.154 8.031 10.631 1.00 51.12 C ATOM 1298 OD1 ASN A 84 20.054 7.788 11.834 1.00 11.12 O ATOM 1299 ND2 ASN A 84 20.229 7.077 9.711 1.00 33.24 N ATOM 0 H ASN A 84 19.266 9.493 7.480 1.00 53.34 H new ATOM 0 HA ASN A 84 18.057 9.644 10.175 1.00 41.02 H new ATOM 0 HB2 ASN A 84 20.995 9.559 9.391 1.00 44.40 H new ATOM 0 HB3 ASN A 84 20.442 10.127 10.954 1.00 44.40 H new ATOM 0 HD21 ASN A 84 20.205 6.096 9.990 1.00 33.24 H new ATOM 0 HD22 ASN A 84 20.311 7.325 8.725 1.00 33.24 H new ATOM 1306 N ILE A 85 19.191 12.150 10.342 1.00 21.52 N ATOM 1307 CA ILE A 85 19.229 13.605 10.271 1.00 71.22 C ATOM 1308 C ILE A 85 20.499 14.089 9.578 1.00 62.22 C ATOM 1309 O ILE A 85 21.486 13.359 9.488 1.00 33.51 O ATOM 1310 CB ILE A 85 19.150 14.240 11.672 1.00 12.03 C ATOM 1311 CG1 ILE A 85 18.144 13.483 12.542 1.00 43.31 C ATOM 1312 CG2 ILE A 85 18.767 15.709 11.567 1.00 70.21 C ATOM 1313 CD1 ILE A 85 16.771 13.369 11.919 1.00 72.13 C ATOM 0 H ILE A 85 19.426 11.766 11.257 1.00 21.52 H new ATOM 0 HA ILE A 85 18.360 13.915 9.691 1.00 71.22 H new ATOM 0 HB ILE A 85 20.132 14.173 12.141 1.00 12.03 H new ATOM 0 HG12 ILE A 85 18.528 12.482 12.740 1.00 43.31 H new ATOM 0 HG13 ILE A 85 18.057 13.987 13.504 1.00 43.31 H new ATOM 0 HG21 ILE A 85 18.715 16.144 12.565 1.00 70.21 H new ATOM 0 HG22 ILE A 85 19.516 16.239 10.979 1.00 70.21 H new ATOM 0 HG23 ILE A 85 17.795 15.798 11.082 1.00 70.21 H new ATOM 0 HD11 ILE A 85 16.111 12.821 12.591 1.00 72.13 H new ATOM 0 HD12 ILE A 85 16.366 14.366 11.746 1.00 72.13 H new ATOM 0 HD13 ILE A 85 16.845 12.838 10.970 1.00 72.13 H new ATOM 1325 N GLY A 86 20.467 15.325 9.091 1.00 72.23 N ATOM 1326 CA GLY A 86 21.621 15.886 8.413 1.00 42.11 C ATOM 1327 C GLY A 86 21.958 15.147 7.133 1.00 20.23 C ATOM 1328 O GLY A 86 23.072 15.256 6.620 1.00 35.23 O ATOM 0 H GLY A 86 19.662 15.948 9.154 1.00 72.23 H new ATOM 0 HA2 GLY A 86 21.430 16.934 8.184 1.00 42.11 H new ATOM 0 HA3 GLY A 86 22.481 15.858 9.082 1.00 42.11 H new ATOM 1332 N ASP A 87 20.994 14.393 6.617 1.00 70.21 N ATOM 1333 CA ASP A 87 21.193 13.633 5.388 1.00 41.14 C ATOM 1334 C ASP A 87 20.631 14.384 4.186 1.00 15.24 C ATOM 1335 O ASP A 87 19.432 14.658 4.118 1.00 34.12 O ATOM 1336 CB ASP A 87 20.532 12.259 5.501 1.00 33.42 C ATOM 1337 CG ASP A 87 21.543 11.129 5.520 1.00 73.14 C ATOM 1338 OD1 ASP A 87 22.542 11.240 6.260 1.00 33.45 O ATOM 1339 OD2 ASP A 87 21.336 10.135 4.794 1.00 61.15 O ATOM 0 H ASP A 87 20.067 14.291 7.030 1.00 70.21 H new ATOM 0 HA ASP A 87 22.265 13.502 5.241 1.00 41.14 H new ATOM 0 HB2 ASP A 87 19.932 12.221 6.411 1.00 33.42 H new ATOM 0 HB3 ASP A 87 19.849 12.118 4.663 1.00 33.42 H new ATOM 1344 N TYR A 88 21.503 14.717 3.242 1.00 14.12 N ATOM 1345 CA TYR A 88 21.094 15.441 2.044 1.00 13.33 C ATOM 1346 C TYR A 88 20.256 14.553 1.129 1.00 22.22 C ATOM 1347 O TYR A 88 20.777 13.650 0.474 1.00 72.02 O ATOM 1348 CB TYR A 88 22.321 15.956 1.289 1.00 72.41 C ATOM 1349 CG TYR A 88 21.999 16.517 -0.077 1.00 42.54 C ATOM 1350 CD1 TYR A 88 21.493 17.803 -0.220 1.00 43.33 C ATOM 1351 CD2 TYR A 88 22.201 15.762 -1.226 1.00 61.35 C ATOM 1352 CE1 TYR A 88 21.198 18.320 -1.467 1.00 51.22 C ATOM 1353 CE2 TYR A 88 21.910 16.270 -2.477 1.00 21.13 C ATOM 1354 CZ TYR A 88 21.408 17.550 -2.592 1.00 43.43 C ATOM 1355 OH TYR A 88 21.116 18.061 -3.836 1.00 74.41 O ATOM 0 H TYR A 88 22.498 14.497 3.283 1.00 14.12 H new ATOM 0 HA TYR A 88 20.484 16.289 2.355 1.00 13.33 H new ATOM 0 HB2 TYR A 88 22.806 16.729 1.885 1.00 72.41 H new ATOM 0 HB3 TYR A 88 23.038 15.142 1.179 1.00 72.41 H new ATOM 0 HD1 TYR A 88 21.327 18.409 0.659 1.00 43.33 H new ATOM 0 HD2 TYR A 88 22.593 14.759 -1.139 1.00 61.35 H new ATOM 0 HE1 TYR A 88 20.805 19.322 -1.560 1.00 51.22 H new ATOM 0 HE2 TYR A 88 22.074 15.669 -3.359 1.00 21.13 H new ATOM 0 HH TYR A 88 21.322 17.392 -4.521 1.00 74.41 H new ATOM 1365 N VAL A 89 18.953 14.815 1.091 1.00 1.44 N ATOM 1366 CA VAL A 89 18.042 14.042 0.256 1.00 23.12 C ATOM 1367 C VAL A 89 17.841 14.707 -1.101 1.00 31.55 C ATOM 1368 O VAL A 89 17.929 15.928 -1.224 1.00 12.50 O ATOM 1369 CB VAL A 89 16.671 13.865 0.937 1.00 43.20 C ATOM 1370 CG1 VAL A 89 16.766 12.862 2.077 1.00 24.10 C ATOM 1371 CG2 VAL A 89 16.148 15.204 1.435 1.00 23.40 C ATOM 0 H VAL A 89 18.505 15.557 1.629 1.00 1.44 H new ATOM 0 HA VAL A 89 18.498 13.062 0.113 1.00 23.12 H new ATOM 0 HB VAL A 89 15.966 13.476 0.202 1.00 43.20 H new ATOM 0 HG11 VAL A 89 15.788 12.750 2.546 1.00 24.10 H new ATOM 0 HG12 VAL A 89 17.094 11.898 1.687 1.00 24.10 H new ATOM 0 HG13 VAL A 89 17.484 13.218 2.816 1.00 24.10 H new ATOM 0 HG21 VAL A 89 15.179 15.061 1.913 1.00 23.40 H new ATOM 0 HG22 VAL A 89 16.850 15.624 2.156 1.00 23.40 H new ATOM 0 HG23 VAL A 89 16.040 15.888 0.593 1.00 23.40 H new ATOM 1381 N SER A 90 17.570 13.895 -2.117 1.00 60.42 N ATOM 1382 CA SER A 90 17.359 14.403 -3.467 1.00 43.25 C ATOM 1383 C SER A 90 15.941 14.106 -3.945 1.00 42.23 C ATOM 1384 O SER A 90 15.710 13.144 -4.676 1.00 25.44 O ATOM 1385 CB SER A 90 18.375 13.786 -4.432 1.00 34.21 C ATOM 1386 OG SER A 90 19.315 14.752 -4.869 1.00 62.40 O ATOM 0 H SER A 90 17.491 12.882 -2.031 1.00 60.42 H new ATOM 0 HA SER A 90 17.497 15.484 -3.447 1.00 43.25 H new ATOM 0 HB2 SER A 90 18.895 12.964 -3.940 1.00 34.21 H new ATOM 0 HB3 SER A 90 17.855 13.365 -5.292 1.00 34.21 H new ATOM 0 HG SER A 90 19.954 14.333 -5.483 1.00 62.40 H new ATOM 1392 N ALA A 91 14.995 14.941 -3.526 1.00 41.34 N ATOM 1393 CA ALA A 91 13.601 14.770 -3.912 1.00 22.52 C ATOM 1394 C ALA A 91 13.156 13.321 -3.737 1.00 53.52 C ATOM 1395 O ALA A 91 13.723 12.581 -2.936 1.00 64.11 O ATOM 1396 CB ALA A 91 13.392 15.218 -5.350 1.00 53.45 C ATOM 0 H ALA A 91 15.170 15.742 -2.919 1.00 41.34 H new ATOM 0 HA ALA A 91 12.990 15.392 -3.257 1.00 22.52 H new ATOM 0 HB1 ALA A 91 12.346 15.084 -5.624 1.00 53.45 H new ATOM 0 HB2 ALA A 91 13.661 16.270 -5.446 1.00 53.45 H new ATOM 0 HB3 ALA A 91 14.020 14.621 -6.012 1.00 53.45 H new ATOM 1402 N SER A 92 12.137 12.925 -4.493 1.00 54.12 N ATOM 1403 CA SER A 92 11.614 11.566 -4.419 1.00 33.41 C ATOM 1404 C SER A 92 12.715 10.544 -4.689 1.00 32.03 C ATOM 1405 O SER A 92 12.598 9.375 -4.319 1.00 73.20 O ATOM 1406 CB SER A 92 10.473 11.381 -5.422 1.00 21.32 C ATOM 1407 OG SER A 92 10.356 10.025 -5.817 1.00 61.32 O ATOM 0 H SER A 92 11.657 13.526 -5.163 1.00 54.12 H new ATOM 0 HA SER A 92 11.232 11.404 -3.411 1.00 33.41 H new ATOM 0 HB2 SER A 92 9.536 11.716 -4.977 1.00 21.32 H new ATOM 0 HB3 SER A 92 10.650 12.004 -6.298 1.00 21.32 H new ATOM 0 HG SER A 92 9.619 9.933 -6.457 1.00 61.32 H new ATOM 1413 N THR A 93 13.784 10.994 -5.337 1.00 62.24 N ATOM 1414 CA THR A 93 14.906 10.121 -5.658 1.00 62.13 C ATOM 1415 C THR A 93 15.490 9.490 -4.399 1.00 42.21 C ATOM 1416 O THR A 93 16.009 8.373 -4.434 1.00 14.22 O ATOM 1417 CB THR A 93 16.020 10.885 -6.399 1.00 14.02 C ATOM 1418 OG1 THR A 93 15.448 11.914 -7.215 1.00 54.11 O ATOM 1419 CG2 THR A 93 16.841 9.941 -7.264 1.00 14.21 C ATOM 0 H THR A 93 13.897 11.958 -5.650 1.00 62.24 H new ATOM 0 HA THR A 93 14.519 9.337 -6.309 1.00 62.13 H new ATOM 0 HB THR A 93 16.678 11.335 -5.656 1.00 14.02 H new ATOM 0 HG1 THR A 93 15.359 12.736 -6.690 1.00 54.11 H new ATOM 0 HG21 THR A 93 17.621 10.503 -7.777 1.00 14.21 H new ATOM 0 HG22 THR A 93 17.298 9.177 -6.636 1.00 14.21 H new ATOM 0 HG23 THR A 93 16.193 9.465 -8.000 1.00 14.21 H new ATOM 1427 N THR A 94 15.403 10.211 -3.286 1.00 15.12 N ATOM 1428 CA THR A 94 15.922 9.722 -2.016 1.00 45.40 C ATOM 1429 C THR A 94 14.800 9.199 -1.127 1.00 33.33 C ATOM 1430 O THR A 94 14.018 9.975 -0.578 1.00 62.44 O ATOM 1431 CB THR A 94 16.688 10.824 -1.260 1.00 4.24 C ATOM 1432 OG1 THR A 94 17.908 11.130 -1.944 1.00 31.10 O ATOM 1433 CG2 THR A 94 16.996 10.390 0.165 1.00 1.44 C ATOM 0 H THR A 94 14.977 11.137 -3.239 1.00 15.12 H new ATOM 0 HA THR A 94 16.607 8.907 -2.249 1.00 45.40 H new ATOM 0 HB THR A 94 16.058 11.713 -1.224 1.00 4.24 H new ATOM 0 HG1 THR A 94 17.725 11.255 -2.899 1.00 31.10 H new ATOM 0 HG21 THR A 94 17.537 11.185 0.678 1.00 1.44 H new ATOM 0 HG22 THR A 94 16.064 10.186 0.693 1.00 1.44 H new ATOM 0 HG23 THR A 94 17.608 9.488 0.146 1.00 1.44 H new ATOM 1441 N GLU A 95 14.728 7.878 -0.988 1.00 15.20 N ATOM 1442 CA GLU A 95 13.700 7.252 -0.166 1.00 34.13 C ATOM 1443 C GLU A 95 14.123 7.215 1.300 1.00 60.14 C ATOM 1444 O GLU A 95 15.223 6.767 1.629 1.00 35.11 O ATOM 1445 CB GLU A 95 13.411 5.834 -0.661 1.00 22.02 C ATOM 1446 CG GLU A 95 13.558 5.672 -2.165 1.00 32.05 C ATOM 1447 CD GLU A 95 12.665 4.582 -2.724 1.00 72.23 C ATOM 1448 OE1 GLU A 95 12.758 3.434 -2.242 1.00 2.01 O ATOM 1449 OE2 GLU A 95 11.874 4.876 -3.645 1.00 4.12 O ATOM 0 H GLU A 95 15.369 7.222 -1.434 1.00 15.20 H new ATOM 0 HA GLU A 95 12.792 7.849 -0.249 1.00 34.13 H new ATOM 0 HB2 GLU A 95 14.086 5.139 -0.162 1.00 22.02 H new ATOM 0 HB3 GLU A 95 12.397 5.557 -0.372 1.00 22.02 H new ATOM 0 HG2 GLU A 95 13.321 6.617 -2.653 1.00 32.05 H new ATOM 0 HG3 GLU A 95 14.597 5.443 -2.402 1.00 32.05 H new ATOM 1456 N LEU A 96 13.244 7.689 2.176 1.00 2.01 N ATOM 1457 CA LEU A 96 13.527 7.711 3.607 1.00 33.42 C ATOM 1458 C LEU A 96 12.818 6.564 4.319 1.00 63.44 C ATOM 1459 O LEU A 96 13.450 5.761 5.008 1.00 1.20 O ATOM 1460 CB LEU A 96 13.091 9.047 4.212 1.00 64.13 C ATOM 1461 CG LEU A 96 11.893 9.726 3.549 1.00 32.41 C ATOM 1462 CD1 LEU A 96 11.034 10.427 4.589 1.00 33.14 C ATOM 1463 CD2 LEU A 96 12.358 10.711 2.486 1.00 0.55 C ATOM 0 H LEU A 96 12.330 8.063 1.921 1.00 2.01 H new ATOM 0 HA LEU A 96 14.602 7.590 3.742 1.00 33.42 H new ATOM 0 HB2 LEU A 96 12.856 8.887 5.264 1.00 64.13 H new ATOM 0 HB3 LEU A 96 13.938 9.733 4.176 1.00 64.13 H new ATOM 0 HG LEU A 96 11.288 8.960 3.065 1.00 32.41 H new ATOM 0 HD11 LEU A 96 10.186 10.905 4.098 1.00 33.14 H new ATOM 0 HD12 LEU A 96 10.671 9.697 5.313 1.00 33.14 H new ATOM 0 HD13 LEU A 96 11.629 11.182 5.103 1.00 33.14 H new ATOM 0 HD21 LEU A 96 11.491 11.185 2.025 1.00 0.55 H new ATOM 0 HD22 LEU A 96 12.986 11.474 2.946 1.00 0.55 H new ATOM 0 HD23 LEU A 96 12.930 10.181 1.724 1.00 0.55 H new ATOM 1475 N VAL A 97 11.502 6.488 4.147 1.00 1.33 N ATOM 1476 CA VAL A 97 10.708 5.436 4.771 1.00 41.13 C ATOM 1477 C VAL A 97 9.421 5.185 3.992 1.00 65.25 C ATOM 1478 O VAL A 97 8.802 6.116 3.479 1.00 2.23 O ATOM 1479 CB VAL A 97 10.352 5.789 6.227 1.00 50.43 C ATOM 1480 CG1 VAL A 97 9.201 4.927 6.720 1.00 62.13 C ATOM 1481 CG2 VAL A 97 11.570 5.633 7.125 1.00 3.30 C ATOM 0 H VAL A 97 10.963 7.143 3.580 1.00 1.33 H new ATOM 0 HA VAL A 97 11.318 4.533 4.763 1.00 41.13 H new ATOM 0 HB VAL A 97 10.034 6.831 6.263 1.00 50.43 H new ATOM 0 HG11 VAL A 97 8.964 5.191 7.751 1.00 62.13 H new ATOM 0 HG12 VAL A 97 8.326 5.095 6.092 1.00 62.13 H new ATOM 0 HG13 VAL A 97 9.487 3.876 6.671 1.00 62.13 H new ATOM 0 HG21 VAL A 97 11.301 5.886 8.150 1.00 3.30 H new ATOM 0 HG22 VAL A 97 11.921 4.602 7.086 1.00 3.30 H new ATOM 0 HG23 VAL A 97 12.362 6.299 6.783 1.00 3.30 H new ATOM 1491 N ARG A 98 9.026 3.919 3.909 1.00 54.03 N ATOM 1492 CA ARG A 98 7.813 3.544 3.191 1.00 23.34 C ATOM 1493 C ARG A 98 6.666 3.283 4.163 1.00 21.52 C ATOM 1494 O ARG A 98 6.888 2.958 5.330 1.00 73.12 O ATOM 1495 CB ARG A 98 8.064 2.299 2.337 1.00 10.50 C ATOM 1496 CG ARG A 98 8.252 1.029 3.150 1.00 14.31 C ATOM 1497 CD ARG A 98 9.708 0.828 3.540 1.00 15.00 C ATOM 1498 NE ARG A 98 10.074 -0.585 3.573 1.00 65.12 N ATOM 1499 CZ ARG A 98 10.346 -1.299 2.486 1.00 22.21 C ATOM 1500 NH1 ARG A 98 10.292 -0.736 1.288 1.00 13.31 N ATOM 1501 NH2 ARG A 98 10.672 -2.581 2.598 1.00 71.53 N ATOM 0 H ARG A 98 9.527 3.136 4.329 1.00 54.03 H new ATOM 0 HA ARG A 98 7.535 4.373 2.540 1.00 23.34 H new ATOM 0 HB2 ARG A 98 7.225 2.162 1.654 1.00 10.50 H new ATOM 0 HB3 ARG A 98 8.950 2.462 1.724 1.00 10.50 H new ATOM 0 HG2 ARG A 98 7.637 1.076 4.048 1.00 14.31 H new ATOM 0 HG3 ARG A 98 7.907 0.171 2.572 1.00 14.31 H new ATOM 0 HD2 ARG A 98 10.349 1.352 2.831 1.00 15.00 H new ATOM 0 HD3 ARG A 98 9.886 1.272 4.520 1.00 15.00 H new ATOM 0 HE ARG A 98 10.124 -1.049 4.480 1.00 65.12 H new ATOM 0 HH11 ARG A 98 10.041 0.249 1.198 1.00 13.31 H new ATOM 0 HH12 ARG A 98 10.501 -1.287 0.456 1.00 13.31 H new ATOM 0 HH21 ARG A 98 10.714 -3.018 3.519 1.00 71.53 H new ATOM 0 HH22 ARG A 98 10.881 -3.129 1.763 1.00 71.53 H new ATOM 1515 N VAL A 99 5.438 3.427 3.674 1.00 33.21 N ATOM 1516 CA VAL A 99 4.256 3.207 4.499 1.00 71.31 C ATOM 1517 C VAL A 99 3.394 2.083 3.935 1.00 4.11 C ATOM 1518 O VAL A 99 3.108 2.044 2.738 1.00 0.34 O ATOM 1519 CB VAL A 99 3.403 4.485 4.610 1.00 53.42 C ATOM 1520 CG1 VAL A 99 2.071 4.182 5.280 1.00 41.21 C ATOM 1521 CG2 VAL A 99 4.158 5.564 5.371 1.00 3.11 C ATOM 0 H VAL A 99 5.236 3.695 2.711 1.00 33.21 H new ATOM 0 HA VAL A 99 4.610 2.928 5.491 1.00 71.31 H new ATOM 0 HB VAL A 99 3.201 4.855 3.605 1.00 53.42 H new ATOM 0 HG11 VAL A 99 1.482 5.097 5.350 1.00 41.21 H new ATOM 0 HG12 VAL A 99 1.527 3.444 4.691 1.00 41.21 H new ATOM 0 HG13 VAL A 99 2.248 3.788 6.281 1.00 41.21 H new ATOM 0 HG21 VAL A 99 3.541 6.460 5.440 1.00 3.11 H new ATOM 0 HG22 VAL A 99 4.392 5.206 6.374 1.00 3.11 H new ATOM 0 HG23 VAL A 99 5.083 5.800 4.845 1.00 3.11 H new ATOM 1531 N THR A 100 2.983 1.166 4.805 1.00 25.22 N ATOM 1532 CA THR A 100 2.154 0.039 4.396 1.00 1.43 C ATOM 1533 C THR A 100 0.694 0.269 4.764 1.00 21.53 C ATOM 1534 O THR A 100 0.364 1.216 5.476 1.00 62.12 O ATOM 1535 CB THR A 100 2.635 -1.275 5.040 1.00 14.54 C ATOM 1536 OG1 THR A 100 2.377 -1.252 6.448 1.00 45.22 O ATOM 1537 CG2 THR A 100 4.122 -1.486 4.794 1.00 31.34 C ATOM 0 H THR A 100 3.211 1.182 5.799 1.00 25.22 H new ATOM 0 HA THR A 100 2.243 -0.043 3.313 1.00 1.43 H new ATOM 0 HB THR A 100 2.088 -2.100 4.584 1.00 14.54 H new ATOM 0 HG1 THR A 100 2.684 -2.091 6.851 1.00 45.22 H new ATOM 0 HG21 THR A 100 4.439 -2.420 5.258 1.00 31.34 H new ATOM 0 HG22 THR A 100 4.310 -1.532 3.721 1.00 31.34 H new ATOM 0 HG23 THR A 100 4.683 -0.658 5.226 1.00 31.34 H new ATOM 1545 N ASN A 101 -0.180 -0.606 4.275 1.00 22.31 N ATOM 1546 CA ASN A 101 -1.607 -0.500 4.554 1.00 14.43 C ATOM 1547 C ASN A 101 -2.206 0.722 3.862 1.00 4.02 C ATOM 1548 O ASN A 101 -2.279 1.805 4.445 1.00 62.41 O ATOM 1549 CB ASN A 101 -1.848 -0.415 6.063 1.00 55.45 C ATOM 1550 CG ASN A 101 -3.228 -0.908 6.456 1.00 42.53 C ATOM 1551 OD1 ASN A 101 -3.578 -2.064 6.216 1.00 42.25 O ATOM 1552 ND2 ASN A 101 -4.018 -0.032 7.065 1.00 44.03 N ATOM 0 H ASN A 101 0.076 -1.396 3.683 1.00 22.31 H new ATOM 0 HA ASN A 101 -2.096 -1.393 4.165 1.00 14.43 H new ATOM 0 HB2 ASN A 101 -1.093 -1.004 6.583 1.00 55.45 H new ATOM 0 HB3 ASN A 101 -1.727 0.618 6.390 1.00 55.45 H new ATOM 0 HD21 ASN A 101 -4.957 -0.307 7.354 1.00 44.03 H new ATOM 0 HD22 ASN A 101 -3.686 0.916 7.244 1.00 44.03 H new