USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 871 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 19 GLN : amide:sc= -0.552 K(o=-2.1,f=-3.3) USER MOD Set 1.2: A 70 GLN : amide:sc= -1.52 X(o=-2.1,f=-2.2!) USER MOD Set 2.1: A 18 SER OG : rot -11:sc= 0.556 USER MOD Set 2.2: A 40 TYR OH : rot 169:sc= 0.368 USER MOD Set 2.3: A 71 THR OG1 : rot 57:sc= -1.74! USER MOD Set 2.4: A 74 ASN : amide:sc= -0.66 X(o=-1.5,f=-1.9) USER MOD Single : A 2 THR OG1 : rot 26:sc= 0.125 USER MOD Single : A 3 SER OG : rot -31:sc= 0.133 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.0084) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 20 SER OG : rot 79:sc= 1.1 USER MOD Single : A 26 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.24) USER MOD Single : A 35 GLN : amide:sc= 0.269 X(o=0.27,f=0) USER MOD Single : A 36 GLN : amide:sc= -2.11 K(o=-2.1,f=-0.021) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.31) USER MOD Single : A 43 SER OG : rot 77:sc= 0.651 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -168:sc= -0.377 (180deg=-0.857) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 MET CE :methyl -176:sc= -1.16 (180deg=-1.33) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -172:sc=-0.00409 (180deg=-0.0743) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 147:sc= 0.145 (180deg=-0.051) USER MOD Single : A 83 GLN : amide:sc= -1.1 K(o=-1.1,f=-0.19) USER MOD Single : A 84 GLN : amide:sc= -0.933 K(o=-0.93,f=0) USER MOD Single : A 90 SER OG : rot -22:sc= 0.844 USER MOD Single : A1001 MET CE :methyl 165:sc=-0.00732 (180deg=-0.22) USER MOD Single : A1002 THR OG1 : rot 180:sc= 0 USER MOD Single : A1003 THR OG1 : rot 180:sc= 0 USER MOD Single : A1006 THR OG1 : rot -10:sc= 0.382 USER MOD Single : A1010 THR OG1 : rot 74:sc= 0.731 USER MOD Single : A1014 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A1018 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A1019 MET CE :methyl -167:sc= -3.4! (180deg=-3.88!) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 2.926 -4.624 23.371 1.00 41.13 N ATOM 21 CA THR A 2 1.967 -3.672 22.764 1.00 13.54 C ATOM 22 C THR A 2 2.368 -3.241 21.326 1.00 1.43 C ATOM 23 O THR A 2 1.716 -3.645 20.354 1.00 35.01 O ATOM 24 CB THR A 2 1.792 -2.409 23.675 1.00 74.51 C ATOM 25 OG1 THR A 2 1.446 -2.823 25.007 1.00 4.11 O ATOM 26 CG2 THR A 2 0.707 -1.446 23.152 1.00 41.10 C ATOM 0 HA THR A 2 1.016 -4.200 22.685 1.00 13.54 H new ATOM 0 HB THR A 2 2.741 -1.874 23.668 1.00 74.51 H new ATOM 0 HG1 THR A 2 1.791 -3.726 25.169 1.00 4.11 H new ATOM 0 HG21 THR A 2 0.628 -0.589 23.821 1.00 41.10 H new ATOM 0 HG22 THR A 2 0.976 -1.103 22.153 1.00 41.10 H new ATOM 0 HG23 THR A 2 -0.251 -1.964 23.112 1.00 41.10 H new ATOM 34 N SER A 3 3.464 -2.463 21.190 1.00 44.14 N ATOM 35 CA SER A 3 3.894 -1.910 19.885 1.00 33.35 C ATOM 36 C SER A 3 4.509 -2.985 18.971 1.00 2.40 C ATOM 37 O SER A 3 4.696 -2.745 17.780 1.00 22.41 O ATOM 38 CB SER A 3 4.853 -0.726 20.104 1.00 23.54 C ATOM 39 OG SER A 3 4.229 0.274 20.902 1.00 32.13 O ATOM 0 H SER A 3 4.069 -2.203 21.969 1.00 44.14 H new ATOM 0 HA SER A 3 3.008 -1.544 19.365 1.00 33.35 H new ATOM 0 HB2 SER A 3 5.765 -1.073 20.591 1.00 23.54 H new ATOM 0 HB3 SER A 3 5.146 -0.304 19.143 1.00 23.54 H new ATOM 0 HG SER A 3 3.263 0.266 20.740 1.00 32.13 H new ATOM 45 N THR A 4 4.793 -4.167 19.541 1.00 25.41 N ATOM 46 CA THR A 4 5.264 -5.335 18.793 1.00 42.51 C ATOM 47 C THR A 4 4.114 -5.919 17.953 1.00 64.44 C ATOM 48 O THR A 4 4.221 -5.995 16.726 1.00 61.22 O ATOM 49 CB THR A 4 5.850 -6.400 19.779 1.00 23.21 C ATOM 50 OG1 THR A 4 7.030 -5.860 20.389 1.00 33.41 O ATOM 51 CG2 THR A 4 6.176 -7.749 19.107 1.00 4.11 C ATOM 0 H THR A 4 4.700 -4.336 20.543 1.00 25.41 H new ATOM 0 HA THR A 4 6.060 -5.034 18.111 1.00 42.51 H new ATOM 0 HB THR A 4 5.083 -6.612 20.524 1.00 23.21 H new ATOM 0 HG1 THR A 4 7.407 -6.517 21.011 1.00 33.41 H new ATOM 0 HG21 THR A 4 6.578 -8.438 19.850 1.00 4.11 H new ATOM 0 HG22 THR A 4 5.268 -8.170 18.676 1.00 4.11 H new ATOM 0 HG23 THR A 4 6.913 -7.594 18.319 1.00 4.11 H new ATOM 59 N VAL A 5 2.996 -6.282 18.627 1.00 53.41 N ATOM 60 CA VAL A 5 1.801 -6.824 17.959 1.00 22.05 C ATOM 61 C VAL A 5 1.175 -5.744 17.039 1.00 30.43 C ATOM 62 O VAL A 5 0.663 -6.077 15.968 1.00 43.12 O ATOM 63 CB VAL A 5 0.750 -7.411 18.991 1.00 61.13 C ATOM 64 CG1 VAL A 5 0.198 -6.334 19.944 1.00 15.42 C ATOM 65 CG2 VAL A 5 -0.400 -8.153 18.276 1.00 73.00 C ATOM 0 H VAL A 5 2.903 -6.206 19.640 1.00 53.41 H new ATOM 0 HA VAL A 5 2.110 -7.666 17.339 1.00 22.05 H new ATOM 0 HB VAL A 5 1.291 -8.135 19.600 1.00 61.13 H new ATOM 0 HG11 VAL A 5 -0.517 -6.787 20.630 1.00 15.42 H new ATOM 0 HG12 VAL A 5 1.019 -5.896 20.512 1.00 15.42 H new ATOM 0 HG13 VAL A 5 -0.298 -5.555 19.365 1.00 15.42 H new ATOM 0 HG21 VAL A 5 -1.099 -8.541 19.017 1.00 73.00 H new ATOM 0 HG22 VAL A 5 -0.921 -7.463 17.612 1.00 73.00 H new ATOM 0 HG23 VAL A 5 0.007 -8.980 17.694 1.00 73.00 H new ATOM 75 N GLU A 6 1.289 -4.443 17.436 1.00 23.42 N ATOM 76 CA GLU A 6 0.892 -3.305 16.570 1.00 12.31 C ATOM 77 C GLU A 6 1.662 -3.371 15.236 1.00 3.35 C ATOM 78 O GLU A 6 1.064 -3.575 14.184 1.00 54.54 O ATOM 79 CB GLU A 6 1.166 -1.929 17.254 1.00 24.30 C ATOM 80 CG GLU A 6 0.241 -1.588 18.435 1.00 34.23 C ATOM 81 CD GLU A 6 0.505 -0.183 19.018 1.00 43.55 C ATOM 82 OE1 GLU A 6 0.032 0.807 18.428 1.00 72.02 O ATOM 83 OE2 GLU A 6 1.193 -0.059 20.051 1.00 11.34 O ATOM 0 H GLU A 6 1.652 -4.163 18.347 1.00 23.42 H new ATOM 0 HA GLU A 6 -0.180 -3.387 16.392 1.00 12.31 H new ATOM 0 HB2 GLU A 6 2.198 -1.915 17.606 1.00 24.30 H new ATOM 0 HB3 GLU A 6 1.075 -1.144 16.503 1.00 24.30 H new ATOM 0 HG2 GLU A 6 -0.797 -1.651 18.107 1.00 34.23 H new ATOM 0 HG3 GLU A 6 0.373 -2.332 19.220 1.00 34.23 H new ATOM 90 N PHE A 7 3.002 -3.304 15.341 1.00 11.11 N ATOM 91 CA PHE A 7 3.922 -3.177 14.191 1.00 13.41 C ATOM 92 C PHE A 7 3.736 -4.356 13.207 1.00 40.43 C ATOM 93 O PHE A 7 3.448 -4.149 12.025 1.00 24.22 O ATOM 94 CB PHE A 7 5.385 -3.116 14.733 1.00 62.20 C ATOM 95 CG PHE A 7 6.416 -2.483 13.802 1.00 51.12 C ATOM 96 CD1 PHE A 7 7.505 -3.206 13.307 1.00 61.13 C ATOM 97 CD2 PHE A 7 6.306 -1.137 13.446 1.00 71.13 C ATOM 98 CE1 PHE A 7 8.436 -2.604 12.480 1.00 35.35 C ATOM 99 CE2 PHE A 7 7.238 -0.542 12.620 1.00 43.20 C ATOM 100 CZ PHE A 7 8.304 -1.273 12.142 1.00 60.44 C ATOM 0 H PHE A 7 3.485 -3.337 16.239 1.00 11.11 H new ATOM 0 HA PHE A 7 3.702 -2.263 13.639 1.00 13.41 H new ATOM 0 HB2 PHE A 7 5.381 -2.560 15.671 1.00 62.20 H new ATOM 0 HB3 PHE A 7 5.708 -4.131 14.965 1.00 62.20 H new ATOM 0 HD1 PHE A 7 7.621 -4.246 13.573 1.00 61.13 H new ATOM 0 HD2 PHE A 7 5.479 -0.553 13.823 1.00 71.13 H new ATOM 0 HE1 PHE A 7 9.268 -3.177 12.098 1.00 35.35 H new ATOM 0 HE2 PHE A 7 7.132 0.498 12.348 1.00 43.20 H new ATOM 0 HZ PHE A 7 9.037 -0.804 11.502 1.00 60.44 H new ATOM 110 N ILE A 8 3.810 -5.582 13.756 1.00 32.23 N ATOM 111 CA ILE A 8 3.766 -6.836 12.979 1.00 41.24 C ATOM 112 C ILE A 8 2.385 -7.049 12.318 1.00 20.15 C ATOM 113 O ILE A 8 2.326 -7.368 11.130 1.00 44.04 O ATOM 114 CB ILE A 8 4.124 -8.074 13.891 1.00 62.30 C ATOM 115 CG1 ILE A 8 5.526 -7.881 14.555 1.00 14.45 C ATOM 116 CG2 ILE A 8 4.074 -9.406 13.097 1.00 13.23 C ATOM 117 CD1 ILE A 8 5.858 -8.887 15.643 1.00 43.31 C ATOM 0 H ILE A 8 3.903 -5.732 14.761 1.00 32.23 H new ATOM 0 HA ILE A 8 4.511 -6.751 12.188 1.00 41.24 H new ATOM 0 HB ILE A 8 3.370 -8.132 14.676 1.00 62.30 H new ATOM 0 HG12 ILE A 8 6.291 -7.939 13.780 1.00 14.45 H new ATOM 0 HG13 ILE A 8 5.577 -6.878 14.979 1.00 14.45 H new ATOM 0 HG21 ILE A 8 4.326 -10.234 13.759 1.00 13.23 H new ATOM 0 HG22 ILE A 8 3.071 -9.554 12.697 1.00 13.23 H new ATOM 0 HG23 ILE A 8 4.790 -9.367 12.276 1.00 13.23 H new ATOM 0 HD11 ILE A 8 6.849 -8.675 16.045 1.00 43.31 H new ATOM 0 HD12 ILE A 8 5.120 -8.816 16.442 1.00 43.31 H new ATOM 0 HD13 ILE A 8 5.844 -9.893 15.224 1.00 43.31 H new ATOM 129 N ASN A 9 1.278 -6.849 13.086 1.00 33.41 N ATOM 130 CA ASN A 9 -0.097 -7.123 12.578 1.00 52.54 C ATOM 131 C ASN A 9 -0.530 -6.082 11.541 1.00 54.10 C ATOM 132 O ASN A 9 -1.319 -6.398 10.644 1.00 11.32 O ATOM 133 CB ASN A 9 -1.155 -7.200 13.718 1.00 33.20 C ATOM 134 CG ASN A 9 -1.009 -8.417 14.642 1.00 75.50 C ATOM 135 OD1 ASN A 9 -2.009 -8.999 15.077 1.00 73.34 O ATOM 136 ND2 ASN A 9 0.219 -8.789 14.996 1.00 0.13 N ATOM 0 H ASN A 9 1.309 -6.504 14.045 1.00 33.41 H new ATOM 0 HA ASN A 9 -0.049 -8.102 12.102 1.00 52.54 H new ATOM 0 HB2 ASN A 9 -1.089 -6.293 14.319 1.00 33.20 H new ATOM 0 HB3 ASN A 9 -2.150 -7.215 13.273 1.00 33.20 H new ATOM 0 HD21 ASN A 9 0.350 -9.570 15.639 1.00 0.13 H new ATOM 0 HD22 ASN A 9 1.029 -8.293 14.624 1.00 0.13 H new ATOM 143 N ARG A 10 -0.019 -4.846 11.678 1.00 52.12 N ATOM 144 CA ARG A 10 -0.296 -3.764 10.720 1.00 3.15 C ATOM 145 C ARG A 10 0.446 -4.021 9.412 1.00 73.25 C ATOM 146 O ARG A 10 -0.184 -4.013 8.366 1.00 52.21 O ATOM 147 CB ARG A 10 0.069 -2.380 11.296 1.00 10.21 C ATOM 148 CG ARG A 10 -0.855 -1.924 12.435 1.00 63.20 C ATOM 149 CD ARG A 10 -0.362 -0.654 13.129 1.00 14.13 C ATOM 150 NE ARG A 10 -1.245 -0.275 14.239 1.00 41.35 N ATOM 151 CZ ARG A 10 -0.883 0.447 15.298 1.00 34.32 C ATOM 152 NH1 ARG A 10 0.364 0.912 15.426 1.00 72.33 N ATOM 153 NH2 ARG A 10 -1.771 0.700 16.239 1.00 31.53 N ATOM 0 H ARG A 10 0.591 -4.572 12.448 1.00 52.12 H new ATOM 0 HA ARG A 10 -1.368 -3.756 10.523 1.00 3.15 H new ATOM 0 HB2 ARG A 10 1.096 -2.407 11.661 1.00 10.21 H new ATOM 0 HB3 ARG A 10 0.035 -1.642 10.495 1.00 10.21 H new ATOM 0 HG2 ARG A 10 -1.855 -1.750 12.037 1.00 63.20 H new ATOM 0 HG3 ARG A 10 -0.939 -2.724 13.170 1.00 63.20 H new ATOM 0 HD2 ARG A 10 0.649 -0.811 13.504 1.00 14.13 H new ATOM 0 HD3 ARG A 10 -0.312 0.161 12.407 1.00 14.13 H new ATOM 0 HE ARG A 10 -2.214 -0.590 14.196 1.00 41.35 H new ATOM 0 HH11 ARG A 10 1.058 0.716 14.705 1.00 72.33 H new ATOM 0 HH12 ARG A 10 0.621 1.463 16.245 1.00 72.33 H new ATOM 0 HH21 ARG A 10 -2.723 0.344 16.151 1.00 31.53 H new ATOM 0 HH22 ARG A 10 -1.506 1.252 17.055 1.00 31.53 H new ATOM 167 N TRP A 11 1.777 -4.282 9.486 1.00 70.24 N ATOM 168 CA TRP A 11 2.587 -4.637 8.295 1.00 22.23 C ATOM 169 C TRP A 11 2.010 -5.874 7.585 1.00 2.55 C ATOM 170 O TRP A 11 2.014 -5.939 6.350 1.00 1.42 O ATOM 171 CB TRP A 11 4.086 -4.878 8.654 1.00 51.45 C ATOM 172 CG TRP A 11 4.885 -3.613 8.859 1.00 73.35 C ATOM 173 CD1 TRP A 11 5.497 -3.198 10.000 1.00 70.52 C ATOM 174 CD2 TRP A 11 5.147 -2.593 7.878 1.00 53.33 C ATOM 175 NE1 TRP A 11 6.121 -1.999 9.792 1.00 33.34 N ATOM 176 CE2 TRP A 11 5.924 -1.603 8.505 1.00 51.12 C ATOM 177 CE3 TRP A 11 4.802 -2.426 6.535 1.00 23.43 C ATOM 178 CZ2 TRP A 11 6.356 -0.458 7.846 1.00 0.44 C ATOM 179 CZ3 TRP A 11 5.228 -1.291 5.881 1.00 52.42 C ATOM 180 CH2 TRP A 11 6.004 -0.322 6.536 1.00 41.45 C ATOM 0 H TRP A 11 2.309 -4.253 10.356 1.00 70.24 H new ATOM 0 HA TRP A 11 2.540 -3.784 7.617 1.00 22.23 H new ATOM 0 HB2 TRP A 11 4.138 -5.479 9.562 1.00 51.45 H new ATOM 0 HB3 TRP A 11 4.549 -5.462 7.859 1.00 51.45 H new ATOM 0 HD1 TRP A 11 5.491 -3.737 10.936 1.00 70.52 H new ATOM 0 HE1 TRP A 11 6.652 -1.482 10.493 1.00 33.34 H new ATOM 0 HE3 TRP A 11 4.214 -3.171 6.020 1.00 23.43 H new ATOM 0 HZ2 TRP A 11 6.946 0.293 8.351 1.00 0.44 H new ATOM 0 HZ3 TRP A 11 4.960 -1.144 4.845 1.00 52.42 H new ATOM 0 HH2 TRP A 11 6.330 0.551 5.990 1.00 41.45 H new ATOM 191 N GLN A 12 1.511 -6.840 8.391 1.00 32.53 N ATOM 192 CA GLN A 12 0.858 -8.055 7.883 1.00 35.14 C ATOM 193 C GLN A 12 -0.376 -7.677 7.064 1.00 30.41 C ATOM 194 O GLN A 12 -0.510 -8.093 5.915 1.00 23.53 O ATOM 195 CB GLN A 12 0.441 -9.001 9.042 1.00 35.22 C ATOM 196 CG GLN A 12 -0.119 -10.362 8.566 1.00 5.33 C ATOM 197 CD GLN A 12 -0.628 -11.259 9.692 1.00 24.23 C ATOM 198 OE1 GLN A 12 -1.118 -10.785 10.720 1.00 55.51 O ATOM 199 NE2 GLN A 12 -0.515 -12.570 9.508 1.00 44.32 N ATOM 0 H GLN A 12 1.553 -6.793 9.409 1.00 32.53 H new ATOM 0 HA GLN A 12 1.574 -8.582 7.253 1.00 35.14 H new ATOM 0 HB2 GLN A 12 1.305 -9.178 9.683 1.00 35.22 H new ATOM 0 HB3 GLN A 12 -0.312 -8.502 9.653 1.00 35.22 H new ATOM 0 HG2 GLN A 12 -0.933 -10.181 7.864 1.00 5.33 H new ATOM 0 HG3 GLN A 12 0.661 -10.892 8.019 1.00 5.33 H new ATOM 0 HE21 GLN A 12 -0.105 -12.931 8.646 1.00 44.32 H new ATOM 0 HE22 GLN A 12 -0.838 -13.216 10.228 1.00 44.32 H new ATOM 208 N ARG A 13 -1.241 -6.846 7.676 1.00 1.44 N ATOM 209 CA ARG A 13 -2.496 -6.392 7.072 1.00 75.12 C ATOM 210 C ARG A 13 -2.235 -5.569 5.799 1.00 71.23 C ATOM 211 O ARG A 13 -2.975 -5.695 4.847 1.00 44.40 O ATOM 212 CB ARG A 13 -3.331 -5.580 8.103 1.00 64.55 C ATOM 213 CG ARG A 13 -4.619 -4.937 7.527 1.00 1.33 C ATOM 214 CD ARG A 13 -5.544 -4.342 8.593 1.00 32.14 C ATOM 215 NE ARG A 13 -6.144 -5.388 9.437 1.00 73.03 N ATOM 216 CZ ARG A 13 -7.371 -5.346 9.980 1.00 45.52 C ATOM 217 NH1 ARG A 13 -8.180 -4.299 9.787 1.00 73.30 N ATOM 218 NH2 ARG A 13 -7.790 -6.374 10.699 1.00 41.03 N ATOM 0 H ARG A 13 -1.082 -6.471 8.611 1.00 1.44 H new ATOM 0 HA ARG A 13 -3.072 -7.271 6.781 1.00 75.12 H new ATOM 0 HB2 ARG A 13 -3.606 -6.238 8.927 1.00 64.55 H new ATOM 0 HB3 ARG A 13 -2.703 -4.793 8.520 1.00 64.55 H new ATOM 0 HG2 ARG A 13 -4.339 -4.153 6.824 1.00 1.33 H new ATOM 0 HG3 ARG A 13 -5.168 -5.690 6.962 1.00 1.33 H new ATOM 0 HD2 ARG A 13 -4.981 -3.649 9.218 1.00 32.14 H new ATOM 0 HD3 ARG A 13 -6.334 -3.767 8.110 1.00 32.14 H new ATOM 0 HE ARG A 13 -5.579 -6.216 9.626 1.00 73.03 H new ATOM 0 HH11 ARG A 13 -7.869 -3.512 9.218 1.00 73.30 H new ATOM 0 HH12 ARG A 13 -9.109 -4.287 10.209 1.00 73.30 H new ATOM 0 HH21 ARG A 13 -7.183 -7.183 10.834 1.00 41.03 H new ATOM 0 HH22 ARG A 13 -8.720 -6.358 11.118 1.00 41.03 H new ATOM 232 N ILE A 14 -1.157 -4.766 5.795 1.00 23.44 N ATOM 233 CA ILE A 14 -0.772 -3.916 4.647 1.00 64.01 C ATOM 234 C ILE A 14 -0.300 -4.792 3.473 1.00 11.25 C ATOM 235 O ILE A 14 -0.635 -4.522 2.324 1.00 25.13 O ATOM 236 CB ILE A 14 0.344 -2.879 5.071 1.00 62.52 C ATOM 237 CG1 ILE A 14 -0.213 -1.902 6.138 1.00 63.13 C ATOM 238 CG2 ILE A 14 0.922 -2.085 3.875 1.00 74.32 C ATOM 239 CD1 ILE A 14 0.810 -0.953 6.709 1.00 20.32 C ATOM 0 H ILE A 14 -0.523 -4.686 6.590 1.00 23.44 H new ATOM 0 HA ILE A 14 -1.644 -3.350 4.321 1.00 64.01 H new ATOM 0 HB ILE A 14 1.166 -3.459 5.490 1.00 62.52 H new ATOM 0 HG12 ILE A 14 -1.021 -1.321 5.694 1.00 63.13 H new ATOM 0 HG13 ILE A 14 -0.647 -2.482 6.952 1.00 63.13 H new ATOM 0 HG21 ILE A 14 1.682 -1.391 4.233 1.00 74.32 H new ATOM 0 HG22 ILE A 14 1.369 -2.777 3.161 1.00 74.32 H new ATOM 0 HG23 ILE A 14 0.122 -1.527 3.388 1.00 74.32 H new ATOM 0 HD11 ILE A 14 0.335 -0.307 7.447 1.00 20.32 H new ATOM 0 HD12 ILE A 14 1.608 -1.522 7.186 1.00 20.32 H new ATOM 0 HD13 ILE A 14 1.228 -0.343 5.908 1.00 20.32 H new ATOM 251 N ALA A 15 0.442 -5.863 3.796 1.00 63.50 N ATOM 252 CA ALA A 15 0.932 -6.841 2.810 1.00 23.50 C ATOM 253 C ALA A 15 -0.238 -7.627 2.178 1.00 71.53 C ATOM 254 O ALA A 15 -0.276 -7.840 0.957 1.00 60.20 O ATOM 255 CB ALA A 15 1.937 -7.785 3.482 1.00 72.42 C ATOM 0 H ALA A 15 0.721 -6.077 4.754 1.00 63.50 H new ATOM 0 HA ALA A 15 1.435 -6.309 2.002 1.00 23.50 H new ATOM 0 HB1 ALA A 15 2.300 -8.509 2.753 1.00 72.42 H new ATOM 0 HB2 ALA A 15 2.777 -7.207 3.868 1.00 72.42 H new ATOM 0 HB3 ALA A 15 1.450 -8.310 4.303 1.00 72.42 H new ATOM 261 N LEU A 16 -1.199 -8.022 3.038 1.00 50.31 N ATOM 262 CA LEU A 16 -2.399 -8.780 2.639 1.00 13.33 C ATOM 263 C LEU A 16 -3.370 -7.890 1.835 1.00 14.30 C ATOM 264 O LEU A 16 -3.957 -8.339 0.844 1.00 23.44 O ATOM 265 CB LEU A 16 -3.089 -9.376 3.896 1.00 55.54 C ATOM 266 CG LEU A 16 -2.252 -10.435 4.688 1.00 52.22 C ATOM 267 CD1 LEU A 16 -2.969 -10.872 5.980 1.00 14.50 C ATOM 268 CD2 LEU A 16 -1.887 -11.652 3.803 1.00 74.55 C ATOM 0 H LEU A 16 -1.162 -7.821 4.037 1.00 50.31 H new ATOM 0 HA LEU A 16 -2.097 -9.602 1.989 1.00 13.33 H new ATOM 0 HB2 LEU A 16 -3.341 -8.559 4.572 1.00 55.54 H new ATOM 0 HB3 LEU A 16 -4.028 -9.837 3.589 1.00 55.54 H new ATOM 0 HG LEU A 16 -1.318 -9.955 4.980 1.00 52.22 H new ATOM 0 HD11 LEU A 16 -2.359 -11.608 6.504 1.00 14.50 H new ATOM 0 HD12 LEU A 16 -3.123 -10.005 6.622 1.00 14.50 H new ATOM 0 HD13 LEU A 16 -3.934 -11.313 5.729 1.00 14.50 H new ATOM 0 HD21 LEU A 16 -1.306 -12.366 4.387 1.00 74.55 H new ATOM 0 HD22 LEU A 16 -2.800 -12.131 3.449 1.00 74.55 H new ATOM 0 HD23 LEU A 16 -1.298 -11.317 2.949 1.00 74.55 H new ATOM 280 N LEU A 17 -3.502 -6.619 2.263 1.00 43.34 N ATOM 281 CA LEU A 17 -4.323 -5.615 1.567 1.00 40.33 C ATOM 282 C LEU A 17 -3.739 -5.352 0.182 1.00 33.53 C ATOM 283 O LEU A 17 -4.460 -5.406 -0.789 1.00 11.31 O ATOM 284 CB LEU A 17 -4.424 -4.279 2.366 1.00 10.42 C ATOM 285 CG LEU A 17 -5.417 -4.244 3.572 1.00 1.12 C ATOM 286 CD1 LEU A 17 -5.200 -2.979 4.432 1.00 1.24 C ATOM 287 CD2 LEU A 17 -6.883 -4.343 3.089 1.00 21.21 C ATOM 0 H LEU A 17 -3.042 -6.262 3.100 1.00 43.34 H new ATOM 0 HA LEU A 17 -5.333 -6.015 1.478 1.00 40.33 H new ATOM 0 HB2 LEU A 17 -3.430 -4.032 2.739 1.00 10.42 H new ATOM 0 HB3 LEU A 17 -4.709 -3.490 1.670 1.00 10.42 H new ATOM 0 HG LEU A 17 -5.213 -5.113 4.198 1.00 1.12 H new ATOM 0 HD11 LEU A 17 -5.904 -2.980 5.264 1.00 1.24 H new ATOM 0 HD12 LEU A 17 -4.181 -2.972 4.819 1.00 1.24 H new ATOM 0 HD13 LEU A 17 -5.362 -2.091 3.821 1.00 1.24 H new ATOM 0 HD21 LEU A 17 -7.552 -4.316 3.949 1.00 21.21 H new ATOM 0 HD22 LEU A 17 -7.106 -3.504 2.429 1.00 21.21 H new ATOM 0 HD23 LEU A 17 -7.025 -5.278 2.548 1.00 21.21 H new ATOM 299 N SER A 18 -2.415 -5.119 0.114 1.00 62.41 N ATOM 300 CA SER A 18 -1.732 -4.740 -1.130 1.00 3.53 C ATOM 301 C SER A 18 -1.768 -5.877 -2.157 1.00 63.05 C ATOM 302 O SER A 18 -1.902 -5.601 -3.345 1.00 70.21 O ATOM 303 CB SER A 18 -0.279 -4.315 -0.857 1.00 3.45 C ATOM 304 OG SER A 18 0.455 -5.351 -0.233 1.00 12.53 O ATOM 0 H SER A 18 -1.793 -5.189 0.919 1.00 62.41 H new ATOM 0 HA SER A 18 -2.269 -3.888 -1.547 1.00 3.53 H new ATOM 0 HB2 SER A 18 0.203 -4.040 -1.795 1.00 3.45 H new ATOM 0 HB3 SER A 18 -0.271 -3.429 -0.223 1.00 3.45 H new ATOM 0 HG SER A 18 -0.159 -6.058 0.056 1.00 12.53 H new ATOM 310 N GLN A 19 -1.629 -7.153 -1.699 1.00 15.25 N ATOM 311 CA GLN A 19 -1.712 -8.320 -2.612 1.00 1.10 C ATOM 312 C GLN A 19 -3.156 -8.537 -3.092 1.00 24.22 C ATOM 313 O GLN A 19 -3.365 -8.961 -4.240 1.00 20.34 O ATOM 314 CB GLN A 19 -1.142 -9.625 -1.985 1.00 72.33 C ATOM 315 CG GLN A 19 -1.934 -10.195 -0.795 1.00 72.01 C ATOM 316 CD GLN A 19 -1.424 -11.551 -0.299 1.00 33.24 C ATOM 317 OE1 GLN A 19 -0.243 -11.873 -0.413 1.00 10.24 O ATOM 318 NE2 GLN A 19 -2.314 -12.356 0.268 1.00 43.31 N ATOM 0 H GLN A 19 -1.462 -7.393 -0.722 1.00 15.25 H new ATOM 0 HA GLN A 19 -1.083 -8.085 -3.471 1.00 1.10 H new ATOM 0 HB2 GLN A 19 -1.091 -10.387 -2.762 1.00 72.33 H new ATOM 0 HB3 GLN A 19 -0.120 -9.433 -1.659 1.00 72.33 H new ATOM 0 HG2 GLN A 19 -1.897 -9.481 0.028 1.00 72.01 H new ATOM 0 HG3 GLN A 19 -2.980 -10.295 -1.083 1.00 72.01 H new ATOM 0 HE21 GLN A 19 -3.288 -12.063 0.349 1.00 43.31 H new ATOM 0 HE22 GLN A 19 -2.024 -13.268 0.622 1.00 43.31 H new ATOM 327 N SER A 20 -4.146 -8.264 -2.206 1.00 72.02 N ATOM 328 CA SER A 20 -5.565 -8.300 -2.586 1.00 0.32 C ATOM 329 C SER A 20 -5.815 -7.251 -3.681 1.00 53.13 C ATOM 330 O SER A 20 -6.142 -7.610 -4.798 1.00 25.23 O ATOM 331 CB SER A 20 -6.481 -8.068 -1.359 1.00 21.23 C ATOM 332 OG SER A 20 -6.326 -9.108 -0.401 1.00 45.52 O ATOM 0 H SER A 20 -3.981 -8.018 -1.230 1.00 72.02 H new ATOM 0 HA SER A 20 -5.809 -9.288 -2.976 1.00 0.32 H new ATOM 0 HB2 SER A 20 -6.244 -7.108 -0.900 1.00 21.23 H new ATOM 0 HB3 SER A 20 -7.521 -8.018 -1.682 1.00 21.23 H new ATOM 0 HG SER A 20 -5.508 -8.956 0.117 1.00 45.52 H new ATOM 338 N LEU A 21 -5.541 -5.977 -3.345 1.00 62.35 N ATOM 339 CA LEU A 21 -5.664 -4.806 -4.235 1.00 64.03 C ATOM 340 C LEU A 21 -4.917 -5.010 -5.563 1.00 1.42 C ATOM 341 O LEU A 21 -5.378 -4.548 -6.602 1.00 12.22 O ATOM 342 CB LEU A 21 -5.098 -3.547 -3.513 1.00 32.33 C ATOM 343 CG LEU A 21 -5.902 -3.053 -2.265 1.00 15.31 C ATOM 344 CD1 LEU A 21 -5.050 -2.153 -1.348 1.00 1.52 C ATOM 345 CD2 LEU A 21 -7.190 -2.338 -2.699 1.00 72.24 C ATOM 0 H LEU A 21 -5.216 -5.725 -2.412 1.00 62.35 H new ATOM 0 HA LEU A 21 -6.721 -4.672 -4.465 1.00 64.03 H new ATOM 0 HB2 LEU A 21 -4.076 -3.760 -3.201 1.00 32.33 H new ATOM 0 HB3 LEU A 21 -5.047 -2.731 -4.234 1.00 32.33 H new ATOM 0 HG LEU A 21 -6.175 -3.933 -1.683 1.00 15.31 H new ATOM 0 HD11 LEU A 21 -5.648 -1.833 -0.495 1.00 1.52 H new ATOM 0 HD12 LEU A 21 -4.183 -2.711 -0.995 1.00 1.52 H new ATOM 0 HD13 LEU A 21 -4.716 -1.278 -1.905 1.00 1.52 H new ATOM 0 HD21 LEU A 21 -7.735 -2.002 -1.817 1.00 72.24 H new ATOM 0 HD22 LEU A 21 -6.937 -1.478 -3.319 1.00 72.24 H new ATOM 0 HD23 LEU A 21 -7.813 -3.026 -3.270 1.00 72.24 H new ATOM 357 N LEU A 22 -3.753 -5.685 -5.493 1.00 71.35 N ATOM 358 CA LEU A 22 -2.916 -5.989 -6.663 1.00 24.21 C ATOM 359 C LEU A 22 -3.650 -6.919 -7.625 1.00 60.12 C ATOM 360 O LEU A 22 -3.816 -6.598 -8.817 1.00 14.21 O ATOM 361 CB LEU A 22 -1.576 -6.638 -6.223 1.00 44.34 C ATOM 362 CG LEU A 22 -0.667 -7.158 -7.378 1.00 53.14 C ATOM 363 CD1 LEU A 22 -0.369 -6.033 -8.375 1.00 61.43 C ATOM 364 CD2 LEU A 22 0.624 -7.803 -6.844 1.00 12.13 C ATOM 0 H LEU A 22 -3.368 -6.035 -4.616 1.00 71.35 H new ATOM 0 HA LEU A 22 -2.702 -5.051 -7.176 1.00 24.21 H new ATOM 0 HB2 LEU A 22 -1.013 -5.907 -5.643 1.00 44.34 H new ATOM 0 HB3 LEU A 22 -1.798 -7.471 -5.557 1.00 44.34 H new ATOM 0 HG LEU A 22 -1.211 -7.941 -7.906 1.00 53.14 H new ATOM 0 HD11 LEU A 22 0.267 -6.414 -9.174 1.00 61.43 H new ATOM 0 HD12 LEU A 22 -1.304 -5.665 -8.799 1.00 61.43 H new ATOM 0 HD13 LEU A 22 0.142 -5.218 -7.862 1.00 61.43 H new ATOM 0 HD21 LEU A 22 1.229 -8.152 -7.681 1.00 12.13 H new ATOM 0 HD22 LEU A 22 1.188 -7.067 -6.270 1.00 12.13 H new ATOM 0 HD23 LEU A 22 0.371 -8.647 -6.202 1.00 12.13 H new ATOM 376 N GLU A 23 -4.076 -8.072 -7.085 1.00 2.10 N ATOM 377 CA GLU A 23 -4.782 -9.097 -7.857 1.00 40.11 C ATOM 378 C GLU A 23 -6.078 -8.506 -8.440 1.00 61.22 C ATOM 379 O GLU A 23 -6.392 -8.724 -9.604 1.00 23.54 O ATOM 380 CB GLU A 23 -5.084 -10.323 -6.963 1.00 50.51 C ATOM 381 CG GLU A 23 -5.737 -11.493 -7.719 1.00 52.32 C ATOM 382 CD GLU A 23 -6.086 -12.679 -6.814 1.00 52.21 C ATOM 383 OE1 GLU A 23 -5.245 -13.584 -6.649 1.00 34.23 O ATOM 384 OE2 GLU A 23 -7.209 -12.710 -6.265 1.00 33.54 O ATOM 0 H GLU A 23 -3.939 -8.316 -6.104 1.00 2.10 H new ATOM 0 HA GLU A 23 -4.151 -9.428 -8.682 1.00 40.11 H new ATOM 0 HB2 GLU A 23 -4.155 -10.668 -6.509 1.00 50.51 H new ATOM 0 HB3 GLU A 23 -5.741 -10.015 -6.150 1.00 50.51 H new ATOM 0 HG2 GLU A 23 -6.644 -11.139 -8.209 1.00 52.32 H new ATOM 0 HG3 GLU A 23 -5.062 -11.831 -8.505 1.00 52.32 H new ATOM 391 N LEU A 24 -6.765 -7.696 -7.612 1.00 42.10 N ATOM 392 CA LEU A 24 -8.022 -7.020 -7.965 1.00 74.04 C ATOM 393 C LEU A 24 -7.800 -5.960 -9.057 1.00 74.33 C ATOM 394 O LEU A 24 -8.661 -5.772 -9.907 1.00 2.15 O ATOM 395 CB LEU A 24 -8.647 -6.359 -6.712 1.00 73.13 C ATOM 396 CG LEU A 24 -9.086 -7.318 -5.567 1.00 42.30 C ATOM 397 CD1 LEU A 24 -9.569 -6.526 -4.342 1.00 52.42 C ATOM 398 CD2 LEU A 24 -10.143 -8.332 -6.045 1.00 23.14 C ATOM 0 H LEU A 24 -6.454 -7.491 -6.662 1.00 42.10 H new ATOM 0 HA LEU A 24 -8.706 -7.774 -8.355 1.00 74.04 H new ATOM 0 HB2 LEU A 24 -7.926 -5.649 -6.305 1.00 73.13 H new ATOM 0 HB3 LEU A 24 -9.517 -5.784 -7.028 1.00 73.13 H new ATOM 0 HG LEU A 24 -8.212 -7.894 -5.264 1.00 42.30 H new ATOM 0 HD11 LEU A 24 -9.870 -7.219 -3.556 1.00 52.42 H new ATOM 0 HD12 LEU A 24 -8.761 -5.892 -3.977 1.00 52.42 H new ATOM 0 HD13 LEU A 24 -10.419 -5.904 -4.623 1.00 52.42 H new ATOM 0 HD21 LEU A 24 -10.423 -8.983 -5.217 1.00 23.14 H new ATOM 0 HD22 LEU A 24 -11.024 -7.798 -6.401 1.00 23.14 H new ATOM 0 HD23 LEU A 24 -9.730 -8.933 -6.855 1.00 23.14 H new ATOM 410 N ALA A 25 -6.639 -5.279 -9.022 1.00 42.11 N ATOM 411 CA ALA A 25 -6.272 -4.265 -10.029 1.00 63.24 C ATOM 412 C ALA A 25 -6.096 -4.935 -11.396 1.00 1.44 C ATOM 413 O ALA A 25 -6.563 -4.422 -12.419 1.00 4.41 O ATOM 414 CB ALA A 25 -4.988 -3.528 -9.615 1.00 21.32 C ATOM 0 H ALA A 25 -5.932 -5.415 -8.299 1.00 42.11 H new ATOM 0 HA ALA A 25 -7.073 -3.529 -10.097 1.00 63.24 H new ATOM 0 HB1 ALA A 25 -4.735 -2.785 -10.371 1.00 21.32 H new ATOM 0 HB2 ALA A 25 -5.146 -3.032 -8.657 1.00 21.32 H new ATOM 0 HB3 ALA A 25 -4.171 -4.244 -9.523 1.00 21.32 H new ATOM 420 N GLN A 26 -5.426 -6.104 -11.377 1.00 13.41 N ATOM 421 CA GLN A 26 -5.248 -6.969 -12.562 1.00 2.54 C ATOM 422 C GLN A 26 -6.600 -7.542 -13.053 1.00 74.31 C ATOM 423 O GLN A 26 -6.800 -7.723 -14.262 1.00 2.14 O ATOM 424 CB GLN A 26 -4.238 -8.104 -12.226 1.00 72.44 C ATOM 425 CG GLN A 26 -2.793 -7.601 -12.008 1.00 65.12 C ATOM 426 CD GLN A 26 -1.812 -8.673 -11.535 1.00 42.35 C ATOM 427 OE1 GLN A 26 -1.984 -9.866 -11.794 1.00 75.34 O ATOM 428 NE2 GLN A 26 -0.743 -8.243 -10.878 1.00 45.25 N ATOM 0 H GLN A 26 -4.990 -6.478 -10.534 1.00 13.41 H new ATOM 0 HA GLN A 26 -4.846 -6.369 -13.379 1.00 2.54 H new ATOM 0 HB2 GLN A 26 -4.573 -8.623 -11.328 1.00 72.44 H new ATOM 0 HB3 GLN A 26 -4.242 -8.834 -13.036 1.00 72.44 H new ATOM 0 HG2 GLN A 26 -2.425 -7.177 -12.942 1.00 65.12 H new ATOM 0 HG3 GLN A 26 -2.810 -6.794 -11.276 1.00 65.12 H new ATOM 0 HE21 GLN A 26 -0.632 -7.249 -10.680 1.00 45.25 H new ATOM 0 HE22 GLN A 26 -0.032 -8.907 -10.571 1.00 45.25 H new ATOM 437 N ARG A 27 -7.522 -7.810 -12.102 1.00 40.54 N ATOM 438 CA ARG A 27 -8.892 -8.291 -12.409 1.00 52.43 C ATOM 439 C ARG A 27 -9.768 -7.154 -12.992 1.00 32.13 C ATOM 440 O ARG A 27 -10.716 -7.417 -13.737 1.00 11.33 O ATOM 441 CB ARG A 27 -9.568 -8.859 -11.126 1.00 44.33 C ATOM 442 CG ARG A 27 -8.952 -10.166 -10.571 1.00 34.23 C ATOM 443 CD ARG A 27 -9.579 -10.582 -9.219 1.00 35.34 C ATOM 444 NE ARG A 27 -8.999 -11.821 -8.669 1.00 23.23 N ATOM 445 CZ ARG A 27 -9.300 -13.072 -9.064 1.00 53.34 C ATOM 446 NH1 ARG A 27 -10.189 -13.295 -10.028 1.00 22.35 N ATOM 447 NH2 ARG A 27 -8.712 -14.098 -8.471 1.00 41.20 N ATOM 0 H ARG A 27 -7.341 -7.700 -11.104 1.00 40.54 H new ATOM 0 HA ARG A 27 -8.805 -9.081 -13.155 1.00 52.43 H new ATOM 0 HB2 ARG A 27 -9.525 -8.098 -10.347 1.00 44.33 H new ATOM 0 HB3 ARG A 27 -10.622 -9.037 -11.340 1.00 44.33 H new ATOM 0 HG2 ARG A 27 -9.092 -10.968 -11.296 1.00 34.23 H new ATOM 0 HG3 ARG A 27 -7.877 -10.034 -10.445 1.00 34.23 H new ATOM 0 HD2 ARG A 27 -9.445 -9.774 -8.499 1.00 35.34 H new ATOM 0 HD3 ARG A 27 -10.653 -10.717 -9.350 1.00 35.34 H new ATOM 0 HE ARG A 27 -8.309 -11.721 -7.924 1.00 23.23 H new ATOM 0 HH11 ARG A 27 -10.656 -12.510 -10.482 1.00 22.35 H new ATOM 0 HH12 ARG A 27 -10.403 -14.251 -10.313 1.00 22.35 H new ATOM 0 HH21 ARG A 27 -8.038 -13.937 -7.722 1.00 41.20 H new ATOM 0 HH22 ARG A 27 -8.933 -15.050 -8.762 1.00 41.20 H new ATOM 461 N GLY A 28 -9.423 -5.898 -12.645 1.00 25.23 N ATOM 462 CA GLY A 28 -10.192 -4.713 -13.057 1.00 11.10 C ATOM 463 C GLY A 28 -11.242 -4.281 -12.032 1.00 61.24 C ATOM 464 O GLY A 28 -12.118 -3.469 -12.343 1.00 4.22 O ATOM 0 H GLY A 28 -8.607 -5.680 -12.074 1.00 25.23 H new ATOM 0 HA2 GLY A 28 -9.504 -3.886 -13.231 1.00 11.10 H new ATOM 0 HA3 GLY A 28 -10.686 -4.922 -14.006 1.00 11.10 H new ATOM 468 N GLU A 29 -11.137 -4.826 -10.811 1.00 60.10 N ATOM 469 CA GLU A 29 -12.030 -4.519 -9.680 1.00 64.20 C ATOM 470 C GLU A 29 -11.672 -3.153 -9.052 1.00 54.22 C ATOM 471 O GLU A 29 -11.050 -3.094 -7.985 1.00 23.35 O ATOM 472 CB GLU A 29 -11.923 -5.645 -8.603 1.00 21.31 C ATOM 473 CG GLU A 29 -12.181 -7.077 -9.110 1.00 73.01 C ATOM 474 CD GLU A 29 -13.601 -7.284 -9.656 1.00 31.53 C ATOM 475 OE1 GLU A 29 -13.766 -7.526 -10.869 1.00 51.22 O ATOM 476 OE2 GLU A 29 -14.566 -7.192 -8.871 1.00 43.21 O ATOM 0 H GLU A 29 -10.415 -5.507 -10.576 1.00 60.10 H new ATOM 0 HA GLU A 29 -13.054 -4.468 -10.051 1.00 64.20 H new ATOM 0 HB2 GLU A 29 -10.927 -5.609 -8.163 1.00 21.31 H new ATOM 0 HB3 GLU A 29 -12.632 -5.428 -7.804 1.00 21.31 H new ATOM 0 HG2 GLU A 29 -11.461 -7.312 -9.893 1.00 73.01 H new ATOM 0 HG3 GLU A 29 -12.007 -7.780 -8.295 1.00 73.01 H new ATOM 483 N TRP A 30 -12.048 -2.057 -9.731 1.00 63.00 N ATOM 484 CA TRP A 30 -11.720 -0.689 -9.279 1.00 1.30 C ATOM 485 C TRP A 30 -12.572 -0.294 -8.054 1.00 41.24 C ATOM 486 O TRP A 30 -12.127 0.507 -7.235 1.00 25.40 O ATOM 487 CB TRP A 30 -11.913 0.349 -10.421 1.00 54.41 C ATOM 488 CG TRP A 30 -11.289 -0.036 -11.759 1.00 64.30 C ATOM 489 CD1 TRP A 30 -11.917 -0.043 -12.979 1.00 62.42 C ATOM 490 CD2 TRP A 30 -9.934 -0.482 -12.017 1.00 40.23 C ATOM 491 NE1 TRP A 30 -11.052 -0.442 -13.960 1.00 64.35 N ATOM 492 CE2 TRP A 30 -9.839 -0.725 -13.404 1.00 24.02 C ATOM 493 CE3 TRP A 30 -8.799 -0.707 -11.222 1.00 1.54 C ATOM 494 CZ2 TRP A 30 -8.668 -1.161 -14.008 1.00 33.10 C ATOM 495 CZ3 TRP A 30 -7.636 -1.144 -11.828 1.00 75.30 C ATOM 496 CH2 TRP A 30 -7.581 -1.373 -13.210 1.00 51.42 C ATOM 0 H TRP A 30 -12.582 -2.089 -10.599 1.00 63.00 H new ATOM 0 HA TRP A 30 -10.669 -0.686 -8.990 1.00 1.30 H new ATOM 0 HB2 TRP A 30 -12.981 0.509 -10.569 1.00 54.41 H new ATOM 0 HB3 TRP A 30 -11.489 1.301 -10.101 1.00 54.41 H new ATOM 0 HD1 TRP A 30 -12.950 0.229 -13.142 1.00 62.42 H new ATOM 0 HE1 TRP A 30 -11.278 -0.516 -14.952 1.00 64.35 H new ATOM 0 HE3 TRP A 30 -8.834 -0.542 -10.155 1.00 1.54 H new ATOM 0 HZ2 TRP A 30 -8.618 -1.327 -15.074 1.00 33.10 H new ATOM 0 HZ3 TRP A 30 -6.755 -1.312 -11.227 1.00 75.30 H new ATOM 0 HH2 TRP A 30 -6.660 -1.724 -13.652 1.00 51.42 H new ATOM 507 N ASP A 31 -13.798 -0.872 -7.952 1.00 44.34 N ATOM 508 CA ASP A 31 -14.727 -0.621 -6.822 1.00 63.32 C ATOM 509 C ASP A 31 -14.083 -1.029 -5.488 1.00 41.35 C ATOM 510 O ASP A 31 -14.096 -0.259 -4.521 1.00 30.30 O ATOM 511 CB ASP A 31 -16.069 -1.396 -6.989 1.00 51.00 C ATOM 512 CG ASP A 31 -16.873 -0.996 -8.234 1.00 45.24 C ATOM 513 OD1 ASP A 31 -16.905 -1.768 -9.220 1.00 34.34 O ATOM 514 OD2 ASP A 31 -17.495 0.088 -8.222 1.00 11.40 O ATOM 0 H ASP A 31 -14.167 -1.521 -8.647 1.00 44.34 H new ATOM 0 HA ASP A 31 -14.938 0.448 -6.822 1.00 63.32 H new ATOM 0 HB2 ASP A 31 -15.856 -2.464 -7.035 1.00 51.00 H new ATOM 0 HB3 ASP A 31 -16.684 -1.231 -6.104 1.00 51.00 H new ATOM 519 N LEU A 32 -13.530 -2.255 -5.461 1.00 51.13 N ATOM 520 CA LEU A 32 -12.830 -2.807 -4.291 1.00 21.31 C ATOM 521 C LEU A 32 -11.570 -2.001 -3.945 1.00 72.41 C ATOM 522 O LEU A 32 -11.218 -1.890 -2.776 1.00 63.13 O ATOM 523 CB LEU A 32 -12.481 -4.297 -4.538 1.00 22.12 C ATOM 524 CG LEU A 32 -13.688 -5.279 -4.497 1.00 64.41 C ATOM 525 CD1 LEU A 32 -13.274 -6.696 -4.917 1.00 51.35 C ATOM 526 CD2 LEU A 32 -14.345 -5.277 -3.100 1.00 3.40 C ATOM 0 H LEU A 32 -13.557 -2.893 -6.256 1.00 51.13 H new ATOM 0 HA LEU A 32 -13.500 -2.735 -3.434 1.00 21.31 H new ATOM 0 HB2 LEU A 32 -11.997 -4.383 -5.511 1.00 22.12 H new ATOM 0 HB3 LEU A 32 -11.753 -4.611 -3.790 1.00 22.12 H new ATOM 0 HG LEU A 32 -14.427 -4.932 -5.219 1.00 64.41 H new ATOM 0 HD11 LEU A 32 -14.141 -7.355 -4.877 1.00 51.35 H new ATOM 0 HD12 LEU A 32 -12.882 -6.674 -5.934 1.00 51.35 H new ATOM 0 HD13 LEU A 32 -12.505 -7.066 -4.239 1.00 51.35 H new ATOM 0 HD21 LEU A 32 -15.186 -5.970 -3.093 1.00 3.40 H new ATOM 0 HD22 LEU A 32 -13.614 -5.587 -2.353 1.00 3.40 H new ATOM 0 HD23 LEU A 32 -14.700 -4.273 -2.866 1.00 3.40 H new ATOM 538 N LEU A 33 -10.884 -1.464 -4.966 1.00 23.01 N ATOM 539 CA LEU A 33 -9.736 -0.554 -4.760 1.00 0.51 C ATOM 540 C LEU A 33 -10.170 0.777 -4.113 1.00 71.34 C ATOM 541 O LEU A 33 -9.451 1.298 -3.267 1.00 11.43 O ATOM 542 CB LEU A 33 -8.943 -0.328 -6.086 1.00 14.13 C ATOM 543 CG LEU A 33 -7.801 -1.363 -6.370 1.00 74.31 C ATOM 544 CD1 LEU A 33 -8.315 -2.811 -6.385 1.00 65.40 C ATOM 545 CD2 LEU A 33 -7.054 -1.027 -7.667 1.00 21.13 C ATOM 0 H LEU A 33 -11.102 -1.642 -5.946 1.00 23.01 H new ATOM 0 HA LEU A 33 -9.058 -1.039 -4.058 1.00 0.51 H new ATOM 0 HB2 LEU A 33 -9.646 -0.351 -6.919 1.00 14.13 H new ATOM 0 HB3 LEU A 33 -8.508 0.671 -6.064 1.00 14.13 H new ATOM 0 HG LEU A 33 -7.094 -1.286 -5.544 1.00 74.31 H new ATOM 0 HD11 LEU A 33 -7.486 -3.489 -6.586 1.00 65.40 H new ATOM 0 HD12 LEU A 33 -8.754 -3.051 -5.417 1.00 65.40 H new ATOM 0 HD13 LEU A 33 -9.070 -2.921 -7.163 1.00 65.40 H new ATOM 0 HD21 LEU A 33 -6.268 -1.763 -7.836 1.00 21.13 H new ATOM 0 HD22 LEU A 33 -7.752 -1.043 -8.504 1.00 21.13 H new ATOM 0 HD23 LEU A 33 -6.610 -0.035 -7.585 1.00 21.13 H new ATOM 557 N LEU A 34 -11.353 1.301 -4.498 1.00 4.24 N ATOM 558 CA LEU A 34 -11.923 2.542 -3.911 1.00 10.10 C ATOM 559 C LEU A 34 -12.392 2.304 -2.457 1.00 53.30 C ATOM 560 O LEU A 34 -12.240 3.173 -1.597 1.00 54.30 O ATOM 561 CB LEU A 34 -13.106 3.056 -4.780 1.00 23.32 C ATOM 562 CG LEU A 34 -12.748 3.508 -6.234 1.00 64.03 C ATOM 563 CD1 LEU A 34 -14.017 3.843 -7.051 1.00 23.32 C ATOM 564 CD2 LEU A 34 -11.751 4.692 -6.224 1.00 30.02 C ATOM 0 H LEU A 34 -11.940 0.882 -5.219 1.00 4.24 H new ATOM 0 HA LEU A 34 -11.140 3.300 -3.896 1.00 10.10 H new ATOM 0 HB2 LEU A 34 -13.855 2.266 -4.841 1.00 23.32 H new ATOM 0 HB3 LEU A 34 -13.570 3.897 -4.264 1.00 23.32 H new ATOM 0 HG LEU A 34 -12.257 2.669 -6.728 1.00 64.03 H new ATOM 0 HD11 LEU A 34 -13.731 4.153 -8.056 1.00 23.32 H new ATOM 0 HD12 LEU A 34 -14.654 2.961 -7.111 1.00 23.32 H new ATOM 0 HD13 LEU A 34 -14.561 4.651 -6.563 1.00 23.32 H new ATOM 0 HD21 LEU A 34 -11.522 4.983 -7.249 1.00 30.02 H new ATOM 0 HD22 LEU A 34 -12.195 5.537 -5.697 1.00 30.02 H new ATOM 0 HD23 LEU A 34 -10.833 4.391 -5.719 1.00 30.02 H new ATOM 576 N GLN A 35 -12.944 1.107 -2.199 1.00 21.14 N ATOM 577 CA GLN A 35 -13.461 0.722 -0.873 1.00 55.45 C ATOM 578 C GLN A 35 -12.293 0.506 0.113 1.00 3.31 C ATOM 579 O GLN A 35 -12.254 1.091 1.201 1.00 5.42 O ATOM 580 CB GLN A 35 -14.335 -0.564 -1.000 1.00 22.43 C ATOM 581 CG GLN A 35 -14.849 -1.152 0.340 1.00 22.25 C ATOM 582 CD GLN A 35 -15.696 -0.167 1.157 1.00 75.52 C ATOM 583 OE1 GLN A 35 -16.915 -0.095 1.003 1.00 14.33 O ATOM 584 NE2 GLN A 35 -15.062 0.584 2.045 1.00 53.42 N ATOM 0 H GLN A 35 -13.045 0.377 -2.904 1.00 21.14 H new ATOM 0 HA GLN A 35 -14.086 1.525 -0.482 1.00 55.45 H new ATOM 0 HB2 GLN A 35 -15.194 -0.338 -1.632 1.00 22.43 H new ATOM 0 HB3 GLN A 35 -13.753 -1.329 -1.514 1.00 22.43 H new ATOM 0 HG2 GLN A 35 -15.442 -2.043 0.133 1.00 22.25 H new ATOM 0 HG3 GLN A 35 -13.996 -1.469 0.939 1.00 22.25 H new ATOM 0 HE21 GLN A 35 -14.051 0.504 2.152 1.00 53.42 H new ATOM 0 HE22 GLN A 35 -15.585 1.243 2.622 1.00 53.42 H new ATOM 593 N GLN A 36 -11.344 -0.333 -0.307 1.00 34.41 N ATOM 594 CA GLN A 36 -10.165 -0.713 0.485 1.00 21.10 C ATOM 595 C GLN A 36 -9.073 0.378 0.443 1.00 54.23 C ATOM 596 O GLN A 36 -8.078 0.251 1.160 1.00 15.43 O ATOM 597 CB GLN A 36 -9.623 -2.074 -0.002 1.00 70.45 C ATOM 598 CG GLN A 36 -10.587 -3.264 0.217 1.00 64.20 C ATOM 599 CD GLN A 36 -10.233 -4.509 -0.607 1.00 61.10 C ATOM 600 OE1 GLN A 36 -10.424 -5.640 -0.164 1.00 51.43 O ATOM 601 NE2 GLN A 36 -9.781 -4.315 -1.838 1.00 74.20 N ATOM 0 H GLN A 36 -11.371 -0.778 -1.225 1.00 34.41 H new ATOM 0 HA GLN A 36 -10.468 -0.812 1.527 1.00 21.10 H new ATOM 0 HB2 GLN A 36 -9.393 -2.000 -1.065 1.00 70.45 H new ATOM 0 HB3 GLN A 36 -8.685 -2.283 0.513 1.00 70.45 H new ATOM 0 HG2 GLN A 36 -10.588 -3.528 1.274 1.00 64.20 H new ATOM 0 HG3 GLN A 36 -11.600 -2.950 -0.034 1.00 64.20 H new ATOM 0 HE21 GLN A 36 -9.631 -3.367 -2.183 1.00 74.20 H new ATOM 0 HE22 GLN A 36 -9.584 -5.114 -2.441 1.00 74.20 H new ATOM 610 N GLU A 37 -9.230 1.389 -0.462 1.00 51.43 N ATOM 611 CA GLU A 37 -8.363 2.594 -0.501 1.00 71.02 C ATOM 612 C GLU A 37 -8.125 3.142 0.912 1.00 43.43 C ATOM 613 O GLU A 37 -6.997 3.100 1.411 1.00 63.02 O ATOM 614 CB GLU A 37 -9.013 3.715 -1.363 1.00 60.03 C ATOM 615 CG GLU A 37 -8.233 5.062 -1.381 1.00 33.54 C ATOM 616 CD GLU A 37 -9.123 6.286 -1.627 1.00 22.45 C ATOM 617 OE1 GLU A 37 -10.138 6.439 -0.912 1.00 20.44 O ATOM 618 OE2 GLU A 37 -8.805 7.123 -2.485 1.00 74.43 O ATOM 0 H GLU A 37 -9.957 1.387 -1.177 1.00 51.43 H new ATOM 0 HA GLU A 37 -7.412 2.295 -0.943 1.00 71.02 H new ATOM 0 HB2 GLU A 37 -9.111 3.355 -2.387 1.00 60.03 H new ATOM 0 HB3 GLU A 37 -10.021 3.900 -0.992 1.00 60.03 H new ATOM 0 HG2 GLU A 37 -7.716 5.185 -0.429 1.00 33.54 H new ATOM 0 HG3 GLU A 37 -7.468 5.018 -2.156 1.00 33.54 H new ATOM 625 N VAL A 38 -9.225 3.589 1.554 1.00 2.41 N ATOM 626 CA VAL A 38 -9.188 4.212 2.879 1.00 45.21 C ATOM 627 C VAL A 38 -8.561 3.263 3.922 1.00 21.11 C ATOM 628 O VAL A 38 -7.711 3.688 4.693 1.00 70.24 O ATOM 629 CB VAL A 38 -10.622 4.700 3.336 1.00 5.15 C ATOM 630 CG1 VAL A 38 -11.664 3.558 3.295 1.00 12.42 C ATOM 631 CG2 VAL A 38 -10.581 5.379 4.732 1.00 53.54 C ATOM 0 H VAL A 38 -10.164 3.524 1.160 1.00 2.41 H new ATOM 0 HA VAL A 38 -8.554 5.096 2.807 1.00 45.21 H new ATOM 0 HB VAL A 38 -10.942 5.453 2.615 1.00 5.15 H new ATOM 0 HG11 VAL A 38 -12.634 3.938 3.617 1.00 12.42 H new ATOM 0 HG12 VAL A 38 -11.744 3.175 2.278 1.00 12.42 H new ATOM 0 HG13 VAL A 38 -11.350 2.755 3.962 1.00 12.42 H new ATOM 0 HG21 VAL A 38 -11.585 5.700 5.010 1.00 53.54 H new ATOM 0 HG22 VAL A 38 -10.209 4.669 5.471 1.00 53.54 H new ATOM 0 HG23 VAL A 38 -9.920 6.245 4.696 1.00 53.54 H new ATOM 641 N SER A 39 -8.936 1.969 3.871 1.00 61.11 N ATOM 642 CA SER A 39 -8.456 0.948 4.818 1.00 53.34 C ATOM 643 C SER A 39 -6.920 0.802 4.755 1.00 31.53 C ATOM 644 O SER A 39 -6.239 0.832 5.789 1.00 53.24 O ATOM 645 CB SER A 39 -9.151 -0.398 4.507 1.00 62.13 C ATOM 646 OG SER A 39 -10.562 -0.244 4.533 1.00 61.04 O ATOM 0 H SER A 39 -9.581 1.604 3.170 1.00 61.11 H new ATOM 0 HA SER A 39 -8.707 1.259 5.832 1.00 53.34 H new ATOM 0 HB2 SER A 39 -8.836 -0.759 3.528 1.00 62.13 H new ATOM 0 HB3 SER A 39 -8.847 -1.149 5.237 1.00 62.13 H new ATOM 0 HG SER A 39 -10.989 -1.103 4.333 1.00 61.04 H new ATOM 652 N TYR A 40 -6.399 0.729 3.513 1.00 42.14 N ATOM 653 CA TYR A 40 -4.970 0.520 3.225 1.00 63.11 C ATOM 654 C TYR A 40 -4.149 1.736 3.665 1.00 34.22 C ATOM 655 O TYR A 40 -3.106 1.588 4.312 1.00 4.43 O ATOM 656 CB TYR A 40 -4.781 0.255 1.708 1.00 12.43 C ATOM 657 CG TYR A 40 -3.341 -0.078 1.273 1.00 62.35 C ATOM 658 CD1 TYR A 40 -2.621 0.747 0.404 1.00 53.11 C ATOM 659 CD2 TYR A 40 -2.716 -1.237 1.714 1.00 31.35 C ATOM 660 CE1 TYR A 40 -1.340 0.421 0.001 1.00 22.43 C ATOM 661 CE2 TYR A 40 -1.436 -1.559 1.317 1.00 35.33 C ATOM 662 CZ TYR A 40 -0.753 -0.731 0.457 1.00 13.00 C ATOM 663 OH TYR A 40 0.528 -1.058 0.060 1.00 35.22 O ATOM 0 H TYR A 40 -6.969 0.815 2.672 1.00 42.14 H new ATOM 0 HA TYR A 40 -4.616 -0.346 3.785 1.00 63.11 H new ATOM 0 HB2 TYR A 40 -5.431 -0.570 1.416 1.00 12.43 H new ATOM 0 HB3 TYR A 40 -5.115 1.135 1.158 1.00 12.43 H new ATOM 0 HD1 TYR A 40 -3.075 1.657 0.040 1.00 53.11 H new ATOM 0 HD2 TYR A 40 -3.244 -1.900 2.383 1.00 31.35 H new ATOM 0 HE1 TYR A 40 -0.802 1.072 -0.672 1.00 22.43 H new ATOM 0 HE2 TYR A 40 -0.969 -2.462 1.681 1.00 35.33 H new ATOM 0 HH TYR A 40 0.858 -1.805 0.602 1.00 35.22 H new ATOM 673 N LEU A 41 -4.661 2.936 3.325 1.00 71.34 N ATOM 674 CA LEU A 41 -3.985 4.206 3.618 1.00 10.12 C ATOM 675 C LEU A 41 -3.942 4.465 5.137 1.00 33.31 C ATOM 676 O LEU A 41 -2.918 4.897 5.654 1.00 20.54 O ATOM 677 CB LEU A 41 -4.661 5.384 2.864 1.00 11.02 C ATOM 678 CG LEU A 41 -4.694 5.271 1.303 1.00 72.14 C ATOM 679 CD1 LEU A 41 -5.256 6.554 0.653 1.00 42.21 C ATOM 680 CD2 LEU A 41 -3.311 4.889 0.720 1.00 63.34 C ATOM 0 H LEU A 41 -5.552 3.047 2.841 1.00 71.34 H new ATOM 0 HA LEU A 41 -2.957 4.133 3.262 1.00 10.12 H new ATOM 0 HB2 LEU A 41 -5.686 5.479 3.223 1.00 11.02 H new ATOM 0 HB3 LEU A 41 -4.143 6.305 3.131 1.00 11.02 H new ATOM 0 HG LEU A 41 -5.376 4.457 1.055 1.00 72.14 H new ATOM 0 HD11 LEU A 41 -5.264 6.439 -0.431 1.00 42.21 H new ATOM 0 HD12 LEU A 41 -6.272 6.726 1.007 1.00 42.21 H new ATOM 0 HD13 LEU A 41 -4.629 7.404 0.923 1.00 42.21 H new ATOM 0 HD21 LEU A 41 -3.380 4.822 -0.366 1.00 63.34 H new ATOM 0 HD22 LEU A 41 -2.579 5.650 0.991 1.00 63.34 H new ATOM 0 HD23 LEU A 41 -2.999 3.926 1.124 1.00 63.34 H new ATOM 692 N GLN A 42 -5.048 4.146 5.843 1.00 74.31 N ATOM 693 CA GLN A 42 -5.130 4.313 7.313 1.00 3.41 C ATOM 694 C GLN A 42 -4.177 3.334 8.024 1.00 41.23 C ATOM 695 O GLN A 42 -3.566 3.696 9.033 1.00 40.52 O ATOM 696 CB GLN A 42 -6.590 4.143 7.831 1.00 2.52 C ATOM 697 CG GLN A 42 -7.574 5.228 7.333 1.00 1.44 C ATOM 698 CD GLN A 42 -7.189 6.665 7.714 1.00 12.42 C ATOM 699 OE1 GLN A 42 -6.577 6.911 8.753 1.00 2.32 O ATOM 700 NE2 GLN A 42 -7.558 7.628 6.877 1.00 30.03 N ATOM 0 H GLN A 42 -5.897 3.771 5.420 1.00 74.31 H new ATOM 0 HA GLN A 42 -4.818 5.331 7.548 1.00 3.41 H new ATOM 0 HB2 GLN A 42 -6.960 3.165 7.524 1.00 2.52 H new ATOM 0 HB3 GLN A 42 -6.579 4.152 8.921 1.00 2.52 H new ATOM 0 HG2 GLN A 42 -7.648 5.162 6.248 1.00 1.44 H new ATOM 0 HG3 GLN A 42 -8.564 5.013 7.734 1.00 1.44 H new ATOM 0 HE21 GLN A 42 -8.064 7.395 6.023 1.00 30.03 H new ATOM 0 HE22 GLN A 42 -7.335 8.601 7.088 1.00 30.03 H new ATOM 709 N SER A 43 -4.048 2.106 7.471 1.00 52.44 N ATOM 710 CA SER A 43 -3.073 1.108 7.954 1.00 23.34 C ATOM 711 C SER A 43 -1.622 1.633 7.799 1.00 25.50 C ATOM 712 O SER A 43 -0.783 1.442 8.693 1.00 53.22 O ATOM 713 CB SER A 43 -3.255 -0.236 7.208 1.00 24.35 C ATOM 714 OG SER A 43 -4.520 -0.811 7.479 1.00 44.22 O ATOM 0 H SER A 43 -4.612 1.784 6.685 1.00 52.44 H new ATOM 0 HA SER A 43 -3.257 0.937 9.015 1.00 23.34 H new ATOM 0 HB2 SER A 43 -3.149 -0.075 6.135 1.00 24.35 H new ATOM 0 HB3 SER A 43 -2.468 -0.929 7.506 1.00 24.35 H new ATOM 0 HG SER A 43 -5.210 -0.342 6.965 1.00 44.22 H new ATOM 720 N ILE A 44 -1.362 2.308 6.662 1.00 4.11 N ATOM 721 CA ILE A 44 -0.070 2.962 6.358 1.00 21.14 C ATOM 722 C ILE A 44 0.257 4.062 7.396 1.00 61.25 C ATOM 723 O ILE A 44 1.384 4.121 7.925 1.00 5.03 O ATOM 724 CB ILE A 44 -0.101 3.550 4.885 1.00 70.34 C ATOM 725 CG1 ILE A 44 0.036 2.395 3.834 1.00 61.25 C ATOM 726 CG2 ILE A 44 0.945 4.673 4.657 1.00 61.33 C ATOM 727 CD1 ILE A 44 -0.135 2.811 2.379 1.00 20.12 C ATOM 0 H ILE A 44 -2.051 2.417 5.918 1.00 4.11 H new ATOM 0 HA ILE A 44 0.724 2.217 6.419 1.00 21.14 H new ATOM 0 HB ILE A 44 -1.071 4.027 4.747 1.00 70.34 H new ATOM 0 HG12 ILE A 44 1.018 1.936 3.950 1.00 61.25 H new ATOM 0 HG13 ILE A 44 -0.703 1.628 4.064 1.00 61.25 H new ATOM 0 HG21 ILE A 44 0.874 5.034 3.631 1.00 61.33 H new ATOM 0 HG22 ILE A 44 0.751 5.496 5.345 1.00 61.33 H new ATOM 0 HG23 ILE A 44 1.946 4.279 4.834 1.00 61.33 H new ATOM 0 HD11 ILE A 44 -0.022 1.939 1.735 1.00 20.12 H new ATOM 0 HD12 ILE A 44 -1.127 3.240 2.237 1.00 20.12 H new ATOM 0 HD13 ILE A 44 0.621 3.553 2.121 1.00 20.12 H new ATOM 739 N GLU A 45 -0.746 4.918 7.676 1.00 53.14 N ATOM 740 CA GLU A 45 -0.640 6.003 8.667 1.00 52.04 C ATOM 741 C GLU A 45 -0.271 5.452 10.057 1.00 44.41 C ATOM 742 O GLU A 45 0.752 5.849 10.634 1.00 73.31 O ATOM 743 CB GLU A 45 -1.972 6.837 8.707 1.00 54.12 C ATOM 744 CG GLU A 45 -2.009 8.085 7.785 1.00 12.42 C ATOM 745 CD GLU A 45 -1.838 7.798 6.280 1.00 61.32 C ATOM 746 OE1 GLU A 45 -0.684 7.675 5.804 1.00 4.13 O ATOM 747 OE2 GLU A 45 -2.854 7.720 5.559 1.00 21.25 O ATOM 0 H GLU A 45 -1.656 4.874 7.218 1.00 53.14 H new ATOM 0 HA GLU A 45 0.166 6.671 8.364 1.00 52.04 H new ATOM 0 HB2 GLU A 45 -2.799 6.181 8.434 1.00 54.12 H new ATOM 0 HB3 GLU A 45 -2.147 7.160 9.733 1.00 54.12 H new ATOM 0 HG2 GLU A 45 -2.959 8.599 7.934 1.00 12.42 H new ATOM 0 HG3 GLU A 45 -1.223 8.771 8.099 1.00 12.42 H new ATOM 754 N THR A 46 -1.070 4.489 10.544 1.00 51.53 N ATOM 755 CA THR A 46 -0.945 3.959 11.913 1.00 62.52 C ATOM 756 C THR A 46 0.308 3.068 12.094 1.00 41.42 C ATOM 757 O THR A 46 0.788 2.915 13.230 1.00 42.22 O ATOM 758 CB THR A 46 -2.245 3.188 12.349 1.00 25.54 C ATOM 759 OG1 THR A 46 -2.178 2.822 13.733 1.00 34.15 O ATOM 760 CG2 THR A 46 -2.499 1.926 11.505 1.00 21.50 C ATOM 0 H THR A 46 -1.819 4.057 10.003 1.00 51.53 H new ATOM 0 HA THR A 46 -0.820 4.822 12.567 1.00 62.52 H new ATOM 0 HB THR A 46 -3.076 3.874 12.184 1.00 25.54 H new ATOM 0 HG1 THR A 46 -2.996 2.345 13.985 1.00 34.15 H new ATOM 0 HG21 THR A 46 -3.409 1.434 11.850 1.00 21.50 H new ATOM 0 HG22 THR A 46 -2.613 2.206 10.458 1.00 21.50 H new ATOM 0 HG23 THR A 46 -1.656 1.243 11.609 1.00 21.50 H new ATOM 768 N VAL A 47 0.836 2.471 10.997 1.00 41.14 N ATOM 769 CA VAL A 47 2.071 1.659 11.081 1.00 51.12 C ATOM 770 C VAL A 47 3.311 2.571 11.102 1.00 32.15 C ATOM 771 O VAL A 47 4.248 2.334 11.865 1.00 11.25 O ATOM 772 CB VAL A 47 2.201 0.583 9.931 1.00 25.12 C ATOM 773 CG1 VAL A 47 2.687 1.182 8.585 1.00 43.44 C ATOM 774 CG2 VAL A 47 3.106 -0.584 10.375 1.00 32.43 C ATOM 0 H VAL A 47 0.434 2.535 10.062 1.00 41.14 H new ATOM 0 HA VAL A 47 2.006 1.101 12.015 1.00 51.12 H new ATOM 0 HB VAL A 47 1.196 0.202 9.749 1.00 25.12 H new ATOM 0 HG11 VAL A 47 2.755 0.391 7.838 1.00 43.44 H new ATOM 0 HG12 VAL A 47 1.980 1.940 8.248 1.00 43.44 H new ATOM 0 HG13 VAL A 47 3.668 1.637 8.722 1.00 43.44 H new ATOM 0 HG21 VAL A 47 3.182 -1.313 9.568 1.00 32.43 H new ATOM 0 HG22 VAL A 47 4.099 -0.204 10.615 1.00 32.43 H new ATOM 0 HG23 VAL A 47 2.678 -1.061 11.256 1.00 32.43 H new ATOM 784 N MET A 48 3.295 3.634 10.265 1.00 64.24 N ATOM 785 CA MET A 48 4.422 4.579 10.143 1.00 43.31 C ATOM 786 C MET A 48 4.408 5.567 11.327 1.00 30.33 C ATOM 787 O MET A 48 5.398 6.259 11.587 1.00 70.45 O ATOM 788 CB MET A 48 4.347 5.304 8.773 1.00 24.40 C ATOM 789 CG MET A 48 5.563 6.175 8.427 1.00 73.43 C ATOM 790 SD MET A 48 5.468 6.887 6.768 1.00 72.32 S ATOM 791 CE MET A 48 5.552 5.424 5.729 1.00 10.14 C ATOM 0 H MET A 48 2.505 3.857 9.660 1.00 64.24 H new ATOM 0 HA MET A 48 5.369 4.040 10.180 1.00 43.31 H new ATOM 0 HB2 MET A 48 4.222 4.556 7.990 1.00 24.40 H new ATOM 0 HB3 MET A 48 3.456 5.931 8.760 1.00 24.40 H new ATOM 0 HG2 MET A 48 5.647 6.979 9.158 1.00 73.43 H new ATOM 0 HG3 MET A 48 6.469 5.574 8.508 1.00 73.43 H new ATOM 0 HE1 MET A 48 5.718 5.722 4.694 1.00 10.14 H new ATOM 0 HE2 MET A 48 6.374 4.789 6.060 1.00 10.14 H new ATOM 0 HE3 MET A 48 4.615 4.872 5.802 1.00 10.14 H new ATOM 801 N GLU A 49 3.266 5.600 12.044 1.00 61.21 N ATOM 802 CA GLU A 49 3.099 6.345 13.302 1.00 14.22 C ATOM 803 C GLU A 49 4.050 5.799 14.401 1.00 13.15 C ATOM 804 O GLU A 49 4.507 6.556 15.265 1.00 62.32 O ATOM 805 CB GLU A 49 1.617 6.255 13.754 1.00 15.25 C ATOM 806 CG GLU A 49 1.229 7.190 14.910 1.00 22.24 C ATOM 807 CD GLU A 49 -0.249 7.063 15.315 1.00 73.12 C ATOM 808 OE1 GLU A 49 -1.127 7.494 14.534 1.00 64.23 O ATOM 809 OE2 GLU A 49 -0.541 6.519 16.403 1.00 2.40 O ATOM 0 H GLU A 49 2.423 5.101 11.758 1.00 61.21 H new ATOM 0 HA GLU A 49 3.360 7.390 13.137 1.00 14.22 H new ATOM 0 HB2 GLU A 49 0.979 6.476 12.899 1.00 15.25 H new ATOM 0 HB3 GLU A 49 1.406 5.228 14.052 1.00 15.25 H new ATOM 0 HG2 GLU A 49 1.857 6.971 15.774 1.00 22.24 H new ATOM 0 HG3 GLU A 49 1.433 8.221 14.621 1.00 22.24 H new ATOM 923 N THR A 57 14.674 -6.808 17.318 1.00 24.25 N ATOM 924 CA THR A 57 14.947 -8.265 17.401 1.00 12.41 C ATOM 925 C THR A 57 14.657 -8.983 16.060 1.00 61.54 C ATOM 926 O THR A 57 13.759 -8.567 15.316 1.00 60.52 O ATOM 927 CB THR A 57 14.134 -8.929 18.564 1.00 65.24 C ATOM 928 OG1 THR A 57 14.373 -10.343 18.613 1.00 2.30 O ATOM 929 CG2 THR A 57 12.631 -8.672 18.439 1.00 21.44 C ATOM 0 HA THR A 57 16.010 -8.377 17.615 1.00 12.41 H new ATOM 0 HB THR A 57 14.482 -8.468 19.489 1.00 65.24 H new ATOM 0 HG1 THR A 57 13.857 -10.737 19.347 1.00 2.30 H new ATOM 0 HG21 THR A 57 12.110 -9.152 19.267 1.00 21.44 H new ATOM 0 HG22 THR A 57 12.442 -7.599 18.464 1.00 21.44 H new ATOM 0 HG23 THR A 57 12.269 -9.082 17.496 1.00 21.44 H new ATOM 937 N ARG A 58 15.423 -10.070 15.793 1.00 20.51 N ATOM 938 CA ARG A 58 15.431 -10.784 14.495 1.00 41.03 C ATOM 939 C ARG A 58 14.043 -11.313 14.100 1.00 22.35 C ATOM 940 O ARG A 58 13.751 -11.405 12.916 1.00 23.44 O ATOM 941 CB ARG A 58 16.432 -11.975 14.514 1.00 55.40 C ATOM 942 CG ARG A 58 17.919 -11.591 14.673 1.00 70.13 C ATOM 943 CD ARG A 58 18.852 -12.810 14.538 1.00 21.24 C ATOM 944 NE ARG A 58 20.276 -12.453 14.657 1.00 74.32 N ATOM 945 CZ ARG A 58 21.293 -13.329 14.658 1.00 65.15 C ATOM 946 NH1 ARG A 58 21.074 -14.638 14.548 1.00 31.02 N ATOM 947 NH2 ARG A 58 22.533 -12.889 14.780 1.00 44.14 N ATOM 0 H ARG A 58 16.057 -10.478 16.480 1.00 20.51 H new ATOM 0 HA ARG A 58 15.742 -10.047 13.754 1.00 41.03 H new ATOM 0 HB2 ARG A 58 16.158 -12.644 15.330 1.00 55.40 H new ATOM 0 HB3 ARG A 58 16.317 -12.538 13.588 1.00 55.40 H new ATOM 0 HG2 ARG A 58 18.183 -10.848 13.920 1.00 70.13 H new ATOM 0 HG3 ARG A 58 18.070 -11.126 15.647 1.00 70.13 H new ATOM 0 HD2 ARG A 58 18.600 -13.542 15.305 1.00 21.24 H new ATOM 0 HD3 ARG A 58 18.681 -13.288 13.573 1.00 21.24 H new ATOM 0 HE ARG A 58 20.507 -11.464 14.745 1.00 74.32 H new ATOM 0 HH11 ARG A 58 20.121 -14.990 14.461 1.00 31.02 H new ATOM 0 HH12 ARG A 58 21.860 -15.289 14.551 1.00 31.02 H new ATOM 0 HH21 ARG A 58 22.713 -11.889 14.873 1.00 44.14 H new ATOM 0 HH22 ARG A 58 23.311 -13.549 14.782 1.00 44.14 H new ATOM 961 N SER A 59 13.223 -11.693 15.101 1.00 64.54 N ATOM 962 CA SER A 59 11.875 -12.244 14.872 1.00 35.44 C ATOM 963 C SER A 59 10.955 -11.201 14.205 1.00 31.00 C ATOM 964 O SER A 59 10.426 -11.437 13.098 1.00 54.51 O ATOM 965 CB SER A 59 11.279 -12.733 16.212 1.00 64.10 C ATOM 966 OG SER A 59 12.129 -13.692 16.827 1.00 0.03 O ATOM 0 H SER A 59 13.477 -11.626 16.087 1.00 64.54 H new ATOM 0 HA SER A 59 11.953 -13.091 14.191 1.00 35.44 H new ATOM 0 HB2 SER A 59 11.137 -11.885 16.882 1.00 64.10 H new ATOM 0 HB3 SER A 59 10.296 -13.171 16.039 1.00 64.10 H new ATOM 0 HG SER A 59 11.732 -13.985 17.674 1.00 0.03 H new ATOM 972 N ILE A 60 10.818 -10.029 14.875 1.00 34.12 N ATOM 973 CA ILE A 60 10.013 -8.900 14.374 1.00 71.01 C ATOM 974 C ILE A 60 10.583 -8.429 13.031 1.00 34.35 C ATOM 975 O ILE A 60 9.856 -8.339 12.056 1.00 24.52 O ATOM 976 CB ILE A 60 9.987 -7.680 15.379 1.00 73.44 C ATOM 977 CG1 ILE A 60 9.444 -8.117 16.774 1.00 55.42 C ATOM 978 CG2 ILE A 60 9.158 -6.488 14.811 1.00 1.14 C ATOM 979 CD1 ILE A 60 9.444 -7.025 17.838 1.00 24.33 C ATOM 0 H ILE A 60 11.263 -9.846 15.774 1.00 34.12 H new ATOM 0 HA ILE A 60 8.989 -9.256 14.261 1.00 71.01 H new ATOM 0 HB ILE A 60 11.014 -7.338 15.505 1.00 73.44 H new ATOM 0 HG12 ILE A 60 8.425 -8.484 16.652 1.00 55.42 H new ATOM 0 HG13 ILE A 60 10.043 -8.954 17.134 1.00 55.42 H new ATOM 0 HG21 ILE A 60 9.162 -5.667 15.528 1.00 1.14 H new ATOM 0 HG22 ILE A 60 9.600 -6.152 13.873 1.00 1.14 H new ATOM 0 HG23 ILE A 60 8.132 -6.810 14.634 1.00 1.14 H new ATOM 0 HD11 ILE A 60 9.049 -7.426 18.771 1.00 24.33 H new ATOM 0 HD12 ILE A 60 10.463 -6.672 17.997 1.00 24.33 H new ATOM 0 HD13 ILE A 60 8.820 -6.195 17.507 1.00 24.33 H new ATOM 991 N GLN A 61 11.910 -8.204 13.009 1.00 72.23 N ATOM 992 CA GLN A 61 12.642 -7.709 11.830 1.00 43.53 C ATOM 993 C GLN A 61 12.435 -8.624 10.603 1.00 13.45 C ATOM 994 O GLN A 61 12.246 -8.127 9.502 1.00 13.43 O ATOM 995 CB GLN A 61 14.153 -7.571 12.167 1.00 22.33 C ATOM 996 CG GLN A 61 15.028 -6.992 11.034 1.00 50.54 C ATOM 997 CD GLN A 61 16.505 -6.895 11.418 1.00 14.15 C ATOM 998 OE1 GLN A 61 17.276 -7.833 11.215 1.00 61.43 O ATOM 999 NE2 GLN A 61 16.913 -5.762 11.972 1.00 2.24 N ATOM 0 H GLN A 61 12.510 -8.363 13.819 1.00 72.23 H new ATOM 0 HA GLN A 61 12.243 -6.728 11.570 1.00 43.53 H new ATOM 0 HB2 GLN A 61 14.256 -6.935 13.046 1.00 22.33 H new ATOM 0 HB3 GLN A 61 14.540 -8.553 12.438 1.00 22.33 H new ATOM 0 HG2 GLN A 61 14.928 -7.618 10.147 1.00 50.54 H new ATOM 0 HG3 GLN A 61 14.661 -6.001 10.767 1.00 50.54 H new ATOM 0 HE21 GLN A 61 16.250 -5.003 12.127 1.00 2.24 H new ATOM 0 HE22 GLN A 61 17.890 -5.650 12.243 1.00 2.24 H new ATOM 1008 N ASP A 62 12.429 -9.955 10.829 1.00 61.40 N ATOM 1009 CA ASP A 62 12.231 -10.966 9.762 1.00 23.10 C ATOM 1010 C ASP A 62 10.807 -10.900 9.192 1.00 50.13 C ATOM 1011 O ASP A 62 10.632 -10.723 7.980 1.00 13.34 O ATOM 1012 CB ASP A 62 12.523 -12.399 10.302 1.00 72.53 C ATOM 1013 CG ASP A 62 11.952 -13.541 9.429 1.00 5.23 C ATOM 1014 OD1 ASP A 62 10.893 -14.111 9.788 1.00 10.24 O ATOM 1015 OD2 ASP A 62 12.542 -13.857 8.377 1.00 22.14 O ATOM 0 H ASP A 62 12.561 -10.361 11.755 1.00 61.40 H new ATOM 0 HA ASP A 62 12.933 -10.741 8.959 1.00 23.10 H new ATOM 0 HB2 ASP A 62 13.602 -12.529 10.388 1.00 72.53 H new ATOM 0 HB3 ASP A 62 12.111 -12.486 11.307 1.00 72.53 H new ATOM 1020 N MET A 63 9.798 -11.067 10.077 1.00 35.10 N ATOM 1021 CA MET A 63 8.379 -11.133 9.660 1.00 55.03 C ATOM 1022 C MET A 63 7.955 -9.821 8.985 1.00 11.20 C ATOM 1023 O MET A 63 7.384 -9.836 7.891 1.00 15.02 O ATOM 1024 CB MET A 63 7.467 -11.450 10.872 1.00 12.13 C ATOM 1025 CG MET A 63 7.696 -12.831 11.491 1.00 34.34 C ATOM 1026 SD MET A 63 6.628 -13.138 12.914 1.00 25.33 S ATOM 1027 CE MET A 63 7.168 -11.859 14.056 1.00 34.53 C ATOM 0 H MET A 63 9.940 -11.158 11.083 1.00 35.10 H new ATOM 0 HA MET A 63 8.270 -11.940 8.935 1.00 55.03 H new ATOM 0 HB2 MET A 63 7.625 -10.691 11.638 1.00 12.13 H new ATOM 0 HB3 MET A 63 6.426 -11.374 10.558 1.00 12.13 H new ATOM 0 HG2 MET A 63 7.519 -13.597 10.736 1.00 34.34 H new ATOM 0 HG3 MET A 63 8.738 -12.920 11.797 1.00 34.34 H new ATOM 0 HE1 MET A 63 6.644 -11.973 15.005 1.00 34.53 H new ATOM 0 HE2 MET A 63 8.242 -11.949 14.222 1.00 34.53 H new ATOM 0 HE3 MET A 63 6.947 -10.878 13.635 1.00 34.53 H new ATOM 1037 N VAL A 64 8.286 -8.701 9.648 1.00 5.53 N ATOM 1038 CA VAL A 64 8.014 -7.342 9.166 1.00 62.13 C ATOM 1039 C VAL A 64 8.700 -7.080 7.817 1.00 0.33 C ATOM 1040 O VAL A 64 8.065 -6.531 6.927 1.00 53.44 O ATOM 1041 CB VAL A 64 8.431 -6.269 10.247 1.00 63.31 C ATOM 1042 CG1 VAL A 64 8.559 -4.844 9.663 1.00 51.23 C ATOM 1043 CG2 VAL A 64 7.432 -6.294 11.434 1.00 40.24 C ATOM 0 H VAL A 64 8.759 -8.718 10.551 1.00 5.53 H new ATOM 0 HA VAL A 64 6.940 -7.251 9.005 1.00 62.13 H new ATOM 0 HB VAL A 64 9.424 -6.542 10.605 1.00 63.31 H new ATOM 0 HG11 VAL A 64 8.848 -4.151 10.454 1.00 51.23 H new ATOM 0 HG12 VAL A 64 9.318 -4.838 8.881 1.00 51.23 H new ATOM 0 HG13 VAL A 64 7.602 -4.536 9.242 1.00 51.23 H new ATOM 0 HG21 VAL A 64 7.728 -5.551 12.174 1.00 40.24 H new ATOM 0 HG22 VAL A 64 6.430 -6.066 11.071 1.00 40.24 H new ATOM 0 HG23 VAL A 64 7.435 -7.283 11.892 1.00 40.24 H new ATOM 1053 N ALA A 65 9.981 -7.496 7.665 1.00 15.33 N ATOM 1054 CA ALA A 65 10.714 -7.344 6.388 1.00 22.22 C ATOM 1055 C ALA A 65 10.046 -8.175 5.283 1.00 70.54 C ATOM 1056 O ALA A 65 10.029 -7.764 4.129 1.00 65.13 O ATOM 1057 CB ALA A 65 12.198 -7.724 6.527 1.00 54.22 C ATOM 0 H ALA A 65 10.524 -7.937 8.408 1.00 15.33 H new ATOM 0 HA ALA A 65 10.673 -6.290 6.112 1.00 22.22 H new ATOM 0 HB1 ALA A 65 12.697 -7.598 5.566 1.00 54.22 H new ATOM 0 HB2 ALA A 65 12.670 -7.080 7.269 1.00 54.22 H new ATOM 0 HB3 ALA A 65 12.279 -8.764 6.844 1.00 54.22 H new ATOM 1063 N GLY A 66 9.484 -9.340 5.662 1.00 73.41 N ATOM 1064 CA GLY A 66 8.695 -10.157 4.741 1.00 12.30 C ATOM 1065 C GLY A 66 7.489 -9.382 4.213 1.00 75.43 C ATOM 1066 O GLY A 66 7.237 -9.349 3.002 1.00 1.23 O ATOM 0 H GLY A 66 9.566 -9.730 6.601 1.00 73.41 H new ATOM 0 HA2 GLY A 66 9.320 -10.476 3.907 1.00 12.30 H new ATOM 0 HA3 GLY A 66 8.357 -11.060 5.249 1.00 12.30 H new ATOM 1070 N TYR A 67 6.781 -8.722 5.148 1.00 52.13 N ATOM 1071 CA TYR A 67 5.584 -7.913 4.861 1.00 14.52 C ATOM 1072 C TYR A 67 5.941 -6.619 4.099 1.00 34.41 C ATOM 1073 O TYR A 67 5.139 -6.132 3.313 1.00 14.11 O ATOM 1074 CB TYR A 67 4.863 -7.547 6.180 1.00 5.04 C ATOM 1075 CG TYR A 67 4.450 -8.728 7.069 1.00 23.13 C ATOM 1076 CD1 TYR A 67 4.547 -8.650 8.466 1.00 63.51 C ATOM 1077 CD2 TYR A 67 3.952 -9.917 6.521 1.00 2.03 C ATOM 1078 CE1 TYR A 67 4.175 -9.707 9.273 1.00 63.33 C ATOM 1079 CE2 TYR A 67 3.578 -10.974 7.327 1.00 3.25 C ATOM 1080 CZ TYR A 67 3.690 -10.865 8.700 1.00 12.02 C ATOM 1081 OH TYR A 67 3.318 -11.923 9.500 1.00 44.42 O ATOM 0 H TYR A 67 7.028 -8.736 6.137 1.00 52.13 H new ATOM 0 HA TYR A 67 4.926 -8.511 4.231 1.00 14.52 H new ATOM 0 HB2 TYR A 67 5.515 -6.893 6.758 1.00 5.04 H new ATOM 0 HB3 TYR A 67 3.970 -6.972 5.936 1.00 5.04 H new ATOM 0 HD1 TYR A 67 4.921 -7.744 8.920 1.00 63.51 H new ATOM 0 HD2 TYR A 67 3.859 -10.009 5.449 1.00 2.03 H new ATOM 0 HE1 TYR A 67 4.263 -9.628 10.346 1.00 63.33 H new ATOM 0 HE2 TYR A 67 3.199 -11.884 6.885 1.00 3.25 H new ATOM 0 HH TYR A 67 2.998 -12.660 8.939 1.00 44.42 H new ATOM 1091 N ILE A 68 7.149 -6.081 4.370 1.00 14.35 N ATOM 1092 CA ILE A 68 7.660 -4.834 3.766 1.00 2.13 C ATOM 1093 C ILE A 68 7.959 -5.059 2.275 1.00 31.30 C ATOM 1094 O ILE A 68 7.427 -4.350 1.422 1.00 21.24 O ATOM 1095 CB ILE A 68 8.947 -4.299 4.537 1.00 23.32 C ATOM 1096 CG1 ILE A 68 8.535 -3.585 5.872 1.00 73.34 C ATOM 1097 CG2 ILE A 68 9.832 -3.381 3.657 1.00 42.24 C ATOM 1098 CD1 ILE A 68 9.685 -3.012 6.698 1.00 1.12 C ATOM 0 H ILE A 68 7.805 -6.507 5.024 1.00 14.35 H new ATOM 0 HA ILE A 68 6.891 -4.067 3.856 1.00 2.13 H new ATOM 0 HB ILE A 68 9.557 -5.168 4.783 1.00 23.32 H new ATOM 0 HG12 ILE A 68 7.846 -2.776 5.632 1.00 73.34 H new ATOM 0 HG13 ILE A 68 7.988 -4.297 6.490 1.00 73.34 H new ATOM 0 HG21 ILE A 68 10.694 -3.046 4.233 1.00 42.24 H new ATOM 0 HG22 ILE A 68 10.173 -3.934 2.782 1.00 42.24 H new ATOM 0 HG23 ILE A 68 9.252 -2.516 3.336 1.00 42.24 H new ATOM 0 HD11 ILE A 68 9.288 -2.542 7.598 1.00 1.12 H new ATOM 0 HD12 ILE A 68 10.367 -3.815 6.979 1.00 1.12 H new ATOM 0 HD13 ILE A 68 10.222 -2.270 6.108 1.00 1.12 H new ATOM 1110 N LYS A 69 8.799 -6.075 1.983 1.00 41.43 N ATOM 1111 CA LYS A 69 9.177 -6.429 0.602 1.00 52.43 C ATOM 1112 C LYS A 69 7.943 -6.893 -0.183 1.00 35.20 C ATOM 1113 O LYS A 69 7.818 -6.586 -1.374 1.00 31.20 O ATOM 1114 CB LYS A 69 10.307 -7.511 0.557 1.00 32.22 C ATOM 1115 CG LYS A 69 11.748 -6.981 0.783 1.00 4.51 C ATOM 1116 CD LYS A 69 12.006 -6.467 2.217 1.00 41.51 C ATOM 1117 CE LYS A 69 13.436 -5.950 2.421 1.00 54.54 C ATOM 1118 NZ LYS A 69 14.460 -7.005 2.183 1.00 24.13 N ATOM 0 H LYS A 69 9.230 -6.667 2.693 1.00 41.43 H new ATOM 0 HA LYS A 69 9.580 -5.532 0.131 1.00 52.43 H new ATOM 0 HB2 LYS A 69 10.093 -8.266 1.313 1.00 32.22 H new ATOM 0 HB3 LYS A 69 10.270 -8.010 -0.411 1.00 32.22 H new ATOM 0 HG2 LYS A 69 12.457 -7.778 0.560 1.00 4.51 H new ATOM 0 HG3 LYS A 69 11.943 -6.174 0.077 1.00 4.51 H new ATOM 0 HD2 LYS A 69 11.301 -5.667 2.443 1.00 41.51 H new ATOM 0 HD3 LYS A 69 11.812 -7.272 2.926 1.00 41.51 H new ATOM 0 HE2 LYS A 69 13.617 -5.113 1.746 1.00 54.54 H new ATOM 0 HE3 LYS A 69 13.540 -5.569 3.437 1.00 54.54 H new ATOM 0 HZ1 LYS A 69 15.396 -6.649 2.463 1.00 24.13 H new ATOM 0 HZ2 LYS A 69 14.227 -7.848 2.746 1.00 24.13 H new ATOM 0 HZ3 LYS A 69 14.472 -7.256 1.174 1.00 24.13 H new ATOM 1132 N GLN A 70 7.025 -7.610 0.513 1.00 4.44 N ATOM 1133 CA GLN A 70 5.757 -8.064 -0.077 1.00 3.32 C ATOM 1134 C GLN A 70 4.893 -6.868 -0.499 1.00 43.11 C ATOM 1135 O GLN A 70 4.525 -6.766 -1.669 1.00 14.21 O ATOM 1136 CB GLN A 70 4.973 -8.979 0.903 1.00 45.43 C ATOM 1137 CG GLN A 70 3.642 -9.529 0.340 1.00 30.42 C ATOM 1138 CD GLN A 70 2.982 -10.592 1.221 1.00 32.21 C ATOM 1139 OE1 GLN A 70 3.127 -10.597 2.442 1.00 12.55 O ATOM 1140 NE2 GLN A 70 2.254 -11.506 0.610 1.00 55.24 N ATOM 0 H GLN A 70 7.148 -7.883 1.488 1.00 4.44 H new ATOM 0 HA GLN A 70 5.998 -8.649 -0.965 1.00 3.32 H new ATOM 0 HB2 GLN A 70 5.609 -9.819 1.184 1.00 45.43 H new ATOM 0 HB3 GLN A 70 4.764 -8.419 1.814 1.00 45.43 H new ATOM 0 HG2 GLN A 70 2.947 -8.700 0.207 1.00 30.42 H new ATOM 0 HG3 GLN A 70 3.825 -9.953 -0.647 1.00 30.42 H new ATOM 0 HE21 GLN A 70 2.149 -11.480 -0.404 1.00 55.24 H new ATOM 0 HE22 GLN A 70 1.796 -12.239 1.152 1.00 55.24 H new ATOM 1149 N THR A 71 4.620 -5.946 0.451 1.00 43.45 N ATOM 1150 CA THR A 71 3.672 -4.846 0.224 1.00 34.21 C ATOM 1151 C THR A 71 4.216 -3.826 -0.785 1.00 21.43 C ATOM 1152 O THR A 71 3.449 -3.286 -1.563 1.00 72.03 O ATOM 1153 CB THR A 71 3.233 -4.116 1.543 1.00 44.43 C ATOM 1154 OG1 THR A 71 2.073 -3.323 1.265 1.00 74.34 O ATOM 1155 CG2 THR A 71 4.317 -3.204 2.161 1.00 43.45 C ATOM 0 H THR A 71 5.045 -5.947 1.378 1.00 43.45 H new ATOM 0 HA THR A 71 2.782 -5.317 -0.193 1.00 34.21 H new ATOM 0 HB THR A 71 3.036 -4.899 2.275 1.00 44.43 H new ATOM 0 HG1 THR A 71 1.364 -3.896 0.906 1.00 74.34 H new ATOM 0 HG21 THR A 71 3.929 -2.740 3.068 1.00 43.45 H new ATOM 0 HG22 THR A 71 5.197 -3.799 2.406 1.00 43.45 H new ATOM 0 HG23 THR A 71 4.591 -2.428 1.446 1.00 43.45 H new ATOM 1163 N LEU A 72 5.541 -3.575 -0.746 1.00 43.01 N ATOM 1164 CA LEU A 72 6.213 -2.659 -1.680 1.00 33.44 C ATOM 1165 C LEU A 72 6.277 -3.256 -3.091 1.00 63.41 C ATOM 1166 O LEU A 72 6.175 -2.513 -4.055 1.00 74.25 O ATOM 1167 CB LEU A 72 7.634 -2.286 -1.172 1.00 13.55 C ATOM 1168 CG LEU A 72 7.678 -1.362 0.085 1.00 34.34 C ATOM 1169 CD1 LEU A 72 9.125 -1.157 0.588 1.00 51.34 C ATOM 1170 CD2 LEU A 72 6.989 -0.010 -0.209 1.00 44.35 C ATOM 0 H LEU A 72 6.170 -4.002 -0.067 1.00 43.01 H new ATOM 0 HA LEU A 72 5.622 -1.744 -1.729 1.00 33.44 H new ATOM 0 HB2 LEU A 72 8.172 -3.206 -0.944 1.00 13.55 H new ATOM 0 HB3 LEU A 72 8.173 -1.794 -1.982 1.00 13.55 H new ATOM 0 HG LEU A 72 7.127 -1.857 0.884 1.00 34.34 H new ATOM 0 HD11 LEU A 72 9.117 -0.509 1.464 1.00 51.34 H new ATOM 0 HD12 LEU A 72 9.558 -2.121 0.854 1.00 51.34 H new ATOM 0 HD13 LEU A 72 9.722 -0.696 -0.199 1.00 51.34 H new ATOM 0 HD21 LEU A 72 7.030 0.620 0.679 1.00 44.35 H new ATOM 0 HD22 LEU A 72 7.502 0.489 -1.031 1.00 44.35 H new ATOM 0 HD23 LEU A 72 5.948 -0.184 -0.483 1.00 44.35 H new ATOM 1182 N ASP A 73 6.459 -4.592 -3.207 1.00 62.31 N ATOM 1183 CA ASP A 73 6.415 -5.293 -4.514 1.00 60.13 C ATOM 1184 C ASP A 73 4.993 -5.202 -5.120 1.00 32.43 C ATOM 1185 O ASP A 73 4.823 -4.867 -6.306 1.00 43.30 O ATOM 1186 CB ASP A 73 6.840 -6.781 -4.349 1.00 1.43 C ATOM 1187 CG ASP A 73 6.837 -7.571 -5.673 1.00 20.35 C ATOM 1188 OD1 ASP A 73 5.831 -8.256 -5.976 1.00 51.41 O ATOM 1189 OD2 ASP A 73 7.843 -7.505 -6.417 1.00 0.24 O ATOM 0 H ASP A 73 6.638 -5.207 -2.413 1.00 62.31 H new ATOM 0 HA ASP A 73 7.117 -4.809 -5.193 1.00 60.13 H new ATOM 0 HB2 ASP A 73 7.839 -6.819 -3.914 1.00 1.43 H new ATOM 0 HB3 ASP A 73 6.166 -7.267 -3.643 1.00 1.43 H new ATOM 1194 N ASN A 74 3.984 -5.465 -4.264 1.00 71.40 N ATOM 1195 CA ASN A 74 2.556 -5.435 -4.642 1.00 61.52 C ATOM 1196 C ASN A 74 2.126 -4.016 -5.020 1.00 1.34 C ATOM 1197 O ASN A 74 1.373 -3.827 -5.973 1.00 62.02 O ATOM 1198 CB ASN A 74 1.664 -5.947 -3.479 1.00 34.10 C ATOM 1199 CG ASN A 74 1.900 -7.404 -3.092 1.00 61.31 C ATOM 1200 OD1 ASN A 74 2.304 -8.227 -3.915 1.00 63.41 O ATOM 1201 ND2 ASN A 74 1.637 -7.739 -1.833 1.00 71.10 N ATOM 0 H ASN A 74 4.138 -5.706 -3.285 1.00 71.40 H new ATOM 0 HA ASN A 74 2.430 -6.091 -5.503 1.00 61.52 H new ATOM 0 HB2 ASN A 74 1.835 -5.320 -2.604 1.00 34.10 H new ATOM 0 HB3 ASN A 74 0.618 -5.824 -3.760 1.00 34.10 H new ATOM 0 HD21 ASN A 74 1.768 -8.702 -1.523 1.00 71.10 H new ATOM 0 HD22 ASN A 74 1.304 -7.033 -1.176 1.00 71.10 H new ATOM 1208 N GLU A 75 2.629 -3.031 -4.255 1.00 74.35 N ATOM 1209 CA GLU A 75 2.318 -1.605 -4.442 1.00 73.44 C ATOM 1210 C GLU A 75 3.148 -1.012 -5.597 1.00 11.14 C ATOM 1211 O GLU A 75 2.777 0.013 -6.163 1.00 1.54 O ATOM 1212 CB GLU A 75 2.555 -0.810 -3.135 1.00 0.40 C ATOM 1213 CG GLU A 75 2.077 0.654 -3.191 1.00 0.03 C ATOM 1214 CD GLU A 75 2.468 1.464 -1.954 1.00 12.34 C ATOM 1215 OE1 GLU A 75 1.637 1.599 -1.028 1.00 1.10 O ATOM 1216 OE2 GLU A 75 3.611 1.966 -1.910 1.00 14.42 O ATOM 0 H GLU A 75 3.270 -3.206 -3.481 1.00 74.35 H new ATOM 0 HA GLU A 75 1.263 -1.522 -4.701 1.00 73.44 H new ATOM 0 HB2 GLU A 75 2.043 -1.317 -2.317 1.00 0.40 H new ATOM 0 HB3 GLU A 75 3.620 -0.824 -2.902 1.00 0.40 H new ATOM 0 HG2 GLU A 75 2.495 1.132 -4.077 1.00 0.03 H new ATOM 0 HG3 GLU A 75 0.993 0.671 -3.301 1.00 0.03 H new ATOM 1223 N GLN A 76 4.273 -1.667 -5.938 1.00 4.51 N ATOM 1224 CA GLN A 76 5.089 -1.310 -7.115 1.00 21.14 C ATOM 1225 C GLN A 76 4.303 -1.663 -8.382 1.00 44.03 C ATOM 1226 O GLN A 76 4.203 -0.863 -9.316 1.00 44.21 O ATOM 1227 CB GLN A 76 6.431 -2.084 -7.097 1.00 42.23 C ATOM 1228 CG GLN A 76 7.410 -1.719 -8.224 1.00 21.01 C ATOM 1229 CD GLN A 76 8.598 -2.676 -8.300 1.00 60.50 C ATOM 1230 OE1 GLN A 76 9.631 -2.466 -7.655 1.00 12.34 O ATOM 1231 NE2 GLN A 76 8.455 -3.735 -9.083 1.00 42.04 N ATOM 0 H GLN A 76 4.642 -2.456 -5.408 1.00 4.51 H new ATOM 0 HA GLN A 76 5.308 -0.242 -7.095 1.00 21.14 H new ATOM 0 HB2 GLN A 76 6.921 -1.908 -6.140 1.00 42.23 H new ATOM 0 HB3 GLN A 76 6.218 -3.151 -7.154 1.00 42.23 H new ATOM 0 HG2 GLN A 76 6.881 -1.726 -9.177 1.00 21.01 H new ATOM 0 HG3 GLN A 76 7.775 -0.704 -8.069 1.00 21.01 H new ATOM 0 HE21 GLN A 76 7.587 -3.874 -9.600 1.00 42.04 H new ATOM 0 HE22 GLN A 76 9.213 -4.412 -9.169 1.00 42.04 H new ATOM 1240 N LEU A 77 3.735 -2.875 -8.368 1.00 74.15 N ATOM 1241 CA LEU A 77 2.888 -3.387 -9.449 1.00 25.52 C ATOM 1242 C LEU A 77 1.534 -2.629 -9.500 1.00 60.10 C ATOM 1243 O LEU A 77 0.995 -2.411 -10.585 1.00 63.42 O ATOM 1244 CB LEU A 77 2.686 -4.903 -9.247 1.00 4.31 C ATOM 1245 CG LEU A 77 3.921 -5.811 -9.529 1.00 22.42 C ATOM 1246 CD1 LEU A 77 3.740 -7.217 -8.917 1.00 71.40 C ATOM 1247 CD2 LEU A 77 4.197 -5.900 -11.049 1.00 4.32 C ATOM 0 H LEU A 77 3.852 -3.533 -7.598 1.00 74.15 H new ATOM 0 HA LEU A 77 3.376 -3.220 -10.409 1.00 25.52 H new ATOM 0 HB2 LEU A 77 2.366 -5.071 -8.219 1.00 4.31 H new ATOM 0 HB3 LEU A 77 1.869 -5.228 -9.892 1.00 4.31 H new ATOM 0 HG LEU A 77 4.787 -5.355 -9.049 1.00 22.42 H new ATOM 0 HD11 LEU A 77 4.620 -7.824 -9.133 1.00 71.40 H new ATOM 0 HD12 LEU A 77 3.615 -7.131 -7.838 1.00 71.40 H new ATOM 0 HD13 LEU A 77 2.858 -7.691 -9.348 1.00 71.40 H new ATOM 0 HD21 LEU A 77 5.063 -6.538 -11.225 1.00 4.32 H new ATOM 0 HD22 LEU A 77 3.327 -6.322 -11.553 1.00 4.32 H new ATOM 0 HD23 LEU A 77 4.396 -4.903 -11.442 1.00 4.32 H new ATOM 1259 N LEU A 78 0.999 -2.240 -8.313 1.00 41.13 N ATOM 1260 CA LEU A 78 -0.190 -1.356 -8.196 1.00 32.12 C ATOM 1261 C LEU A 78 0.100 0.016 -8.815 1.00 22.35 C ATOM 1262 O LEU A 78 -0.710 0.538 -9.564 1.00 22.13 O ATOM 1263 CB LEU A 78 -0.627 -1.174 -6.702 1.00 62.20 C ATOM 1264 CG LEU A 78 -1.535 -2.290 -6.105 1.00 33.24 C ATOM 1265 CD1 LEU A 78 -1.666 -2.167 -4.569 1.00 63.03 C ATOM 1266 CD2 LEU A 78 -2.921 -2.259 -6.778 1.00 52.20 C ATOM 0 H LEU A 78 1.379 -2.530 -7.412 1.00 41.13 H new ATOM 0 HA LEU A 78 -1.006 -1.835 -8.737 1.00 32.12 H new ATOM 0 HB2 LEU A 78 0.272 -1.101 -6.090 1.00 62.20 H new ATOM 0 HB3 LEU A 78 -1.152 -0.223 -6.613 1.00 62.20 H new ATOM 0 HG LEU A 78 -1.063 -3.251 -6.309 1.00 33.24 H new ATOM 0 HD11 LEU A 78 -2.307 -2.964 -4.194 1.00 63.03 H new ATOM 0 HD12 LEU A 78 -0.680 -2.249 -4.112 1.00 63.03 H new ATOM 0 HD13 LEU A 78 -2.103 -1.201 -4.317 1.00 63.03 H new ATOM 0 HD21 LEU A 78 -3.549 -3.043 -6.354 1.00 52.20 H new ATOM 0 HD22 LEU A 78 -3.387 -1.289 -6.607 1.00 52.20 H new ATOM 0 HD23 LEU A 78 -2.809 -2.424 -7.850 1.00 52.20 H new ATOM 1278 N LYS A 79 1.272 0.570 -8.479 1.00 41.24 N ATOM 1279 CA LYS A 79 1.699 1.900 -8.931 1.00 11.33 C ATOM 1280 C LYS A 79 1.813 1.920 -10.460 1.00 1.33 C ATOM 1281 O LYS A 79 1.231 2.776 -11.108 1.00 61.55 O ATOM 1282 CB LYS A 79 3.050 2.288 -8.282 1.00 54.12 C ATOM 1283 CG LYS A 79 3.538 3.720 -8.604 1.00 0.45 C ATOM 1284 CD LYS A 79 4.899 4.066 -7.951 1.00 1.31 C ATOM 1285 CE LYS A 79 4.863 4.043 -6.408 1.00 31.30 C ATOM 1286 NZ LYS A 79 6.181 4.412 -5.825 1.00 71.33 N ATOM 0 H LYS A 79 1.955 0.104 -7.882 1.00 41.24 H new ATOM 0 HA LYS A 79 0.952 2.631 -8.623 1.00 11.33 H new ATOM 0 HB2 LYS A 79 2.960 2.185 -7.201 1.00 54.12 H new ATOM 0 HB3 LYS A 79 3.810 1.578 -8.608 1.00 54.12 H new ATOM 0 HG2 LYS A 79 3.623 3.833 -9.685 1.00 0.45 H new ATOM 0 HG3 LYS A 79 2.789 4.436 -8.266 1.00 0.45 H new ATOM 0 HD2 LYS A 79 5.651 3.358 -8.300 1.00 1.31 H new ATOM 0 HD3 LYS A 79 5.213 5.055 -8.285 1.00 1.31 H new ATOM 0 HE2 LYS A 79 4.100 4.734 -6.051 1.00 31.30 H new ATOM 0 HE3 LYS A 79 4.578 3.049 -6.065 1.00 31.30 H new ATOM 0 HZ1 LYS A 79 6.035 4.918 -4.928 1.00 71.33 H new ATOM 0 HZ2 LYS A 79 6.736 3.550 -5.650 1.00 71.33 H new ATOM 0 HZ3 LYS A 79 6.695 5.026 -6.489 1.00 71.33 H new ATOM 1300 N GLY A 80 2.524 0.911 -11.009 1.00 43.43 N ATOM 1301 CA GLY A 80 2.748 0.793 -12.448 1.00 64.24 C ATOM 1302 C GLY A 80 1.453 0.613 -13.229 1.00 65.41 C ATOM 1303 O GLY A 80 1.193 1.350 -14.189 1.00 0.23 O ATOM 0 H GLY A 80 2.953 0.164 -10.462 1.00 43.43 H new ATOM 0 HA2 GLY A 80 3.263 1.684 -12.806 1.00 64.24 H new ATOM 0 HA3 GLY A 80 3.406 -0.055 -12.641 1.00 64.24 H new ATOM 1307 N LEU A 81 0.617 -0.341 -12.763 1.00 32.00 N ATOM 1308 CA LEU A 81 -0.666 -0.678 -13.400 1.00 52.54 C ATOM 1309 C LEU A 81 -1.614 0.529 -13.363 1.00 51.12 C ATOM 1310 O LEU A 81 -2.004 1.021 -14.403 1.00 0.51 O ATOM 1311 CB LEU A 81 -1.292 -1.932 -12.707 1.00 51.42 C ATOM 1312 CG LEU A 81 -2.634 -2.514 -13.308 1.00 24.42 C ATOM 1313 CD1 LEU A 81 -2.759 -4.030 -13.052 1.00 62.33 C ATOM 1314 CD2 LEU A 81 -3.888 -1.787 -12.757 1.00 33.10 C ATOM 0 H LEU A 81 0.818 -0.898 -11.932 1.00 32.00 H new ATOM 0 HA LEU A 81 -0.496 -0.926 -14.448 1.00 52.54 H new ATOM 0 HB2 LEU A 81 -0.547 -2.728 -12.719 1.00 51.42 H new ATOM 0 HB3 LEU A 81 -1.474 -1.681 -11.662 1.00 51.42 H new ATOM 0 HG LEU A 81 -2.585 -2.340 -14.383 1.00 24.42 H new ATOM 0 HD11 LEU A 81 -3.693 -4.395 -13.479 1.00 62.33 H new ATOM 0 HD12 LEU A 81 -1.920 -4.548 -13.517 1.00 62.33 H new ATOM 0 HD13 LEU A 81 -2.752 -4.220 -11.979 1.00 62.33 H new ATOM 0 HD21 LEU A 81 -4.784 -2.222 -13.199 1.00 33.10 H new ATOM 0 HD22 LEU A 81 -3.927 -1.899 -11.673 1.00 33.10 H new ATOM 0 HD23 LEU A 81 -3.836 -0.728 -13.011 1.00 33.10 H new ATOM 1326 N LEU A 82 -1.941 1.000 -12.151 1.00 21.04 N ATOM 1327 CA LEU A 82 -2.949 2.058 -11.919 1.00 15.41 C ATOM 1328 C LEU A 82 -2.549 3.409 -12.530 1.00 52.42 C ATOM 1329 O LEU A 82 -3.420 4.146 -12.980 1.00 1.21 O ATOM 1330 CB LEU A 82 -3.223 2.196 -10.403 1.00 5.31 C ATOM 1331 CG LEU A 82 -4.032 1.023 -9.770 1.00 20.15 C ATOM 1332 CD1 LEU A 82 -3.872 0.981 -8.244 1.00 73.25 C ATOM 1333 CD2 LEU A 82 -5.516 1.126 -10.171 1.00 42.30 C ATOM 0 H LEU A 82 -1.512 0.657 -11.292 1.00 21.04 H new ATOM 0 HA LEU A 82 -3.864 1.754 -12.428 1.00 15.41 H new ATOM 0 HB2 LEU A 82 -2.269 2.282 -9.883 1.00 5.31 H new ATOM 0 HB3 LEU A 82 -3.765 3.126 -10.230 1.00 5.31 H new ATOM 0 HG LEU A 82 -3.630 0.087 -10.158 1.00 20.15 H new ATOM 0 HD11 LEU A 82 -4.451 0.150 -7.840 1.00 73.25 H new ATOM 0 HD12 LEU A 82 -2.820 0.847 -7.992 1.00 73.25 H new ATOM 0 HD13 LEU A 82 -4.232 1.916 -7.815 1.00 73.25 H new ATOM 0 HD21 LEU A 82 -6.072 0.302 -9.724 1.00 42.30 H new ATOM 0 HD22 LEU A 82 -5.924 2.073 -9.817 1.00 42.30 H new ATOM 0 HD23 LEU A 82 -5.604 1.076 -11.256 1.00 42.30 H new ATOM 1345 N GLN A 83 -1.239 3.723 -12.541 1.00 41.10 N ATOM 1346 CA GLN A 83 -0.729 4.948 -13.187 1.00 35.22 C ATOM 1347 C GLN A 83 -0.914 4.818 -14.710 1.00 31.05 C ATOM 1348 O GLN A 83 -1.431 5.742 -15.355 1.00 33.44 O ATOM 1349 CB GLN A 83 0.760 5.209 -12.787 1.00 51.24 C ATOM 1350 CG GLN A 83 1.385 6.548 -13.272 1.00 52.42 C ATOM 1351 CD GLN A 83 1.851 6.563 -14.737 1.00 3.12 C ATOM 1352 OE1 GLN A 83 1.817 7.604 -15.394 1.00 54.21 O ATOM 1353 NE2 GLN A 83 2.315 5.429 -15.254 1.00 4.01 N ATOM 0 H GLN A 83 -0.516 3.146 -12.111 1.00 41.10 H new ATOM 0 HA GLN A 83 -1.293 5.815 -12.844 1.00 35.22 H new ATOM 0 HB2 GLN A 83 0.832 5.173 -11.700 1.00 51.24 H new ATOM 0 HB3 GLN A 83 1.366 4.390 -13.174 1.00 51.24 H new ATOM 0 HG2 GLN A 83 0.653 7.343 -13.133 1.00 52.42 H new ATOM 0 HG3 GLN A 83 2.237 6.784 -12.635 1.00 52.42 H new ATOM 0 HE21 GLN A 83 2.332 4.580 -14.689 1.00 4.01 H new ATOM 0 HE22 GLN A 83 2.653 5.408 -16.216 1.00 4.01 H new ATOM 1362 N GLN A 84 -0.520 3.641 -15.258 1.00 2.45 N ATOM 1363 CA GLN A 84 -0.687 3.320 -16.690 1.00 20.24 C ATOM 1364 C GLN A 84 -2.175 3.325 -17.081 1.00 52.13 C ATOM 1365 O GLN A 84 -2.517 3.773 -18.162 1.00 53.50 O ATOM 1366 CB GLN A 84 -0.059 1.933 -17.023 1.00 73.43 C ATOM 1367 CG GLN A 84 -0.289 1.447 -18.473 1.00 23.43 C ATOM 1368 CD GLN A 84 0.436 0.144 -18.805 1.00 45.41 C ATOM 1369 OE1 GLN A 84 1.578 0.159 -19.260 1.00 30.12 O ATOM 1370 NE2 GLN A 84 -0.210 -0.990 -18.569 1.00 21.42 N ATOM 0 H GLN A 84 -0.080 2.894 -14.720 1.00 2.45 H new ATOM 0 HA GLN A 84 -0.170 4.088 -17.265 1.00 20.24 H new ATOM 0 HB2 GLN A 84 1.014 1.982 -16.837 1.00 73.43 H new ATOM 0 HB3 GLN A 84 -0.468 1.191 -16.337 1.00 73.43 H new ATOM 0 HG2 GLN A 84 -1.358 1.310 -18.636 1.00 23.43 H new ATOM 0 HG3 GLN A 84 0.041 2.223 -19.164 1.00 23.43 H new ATOM 0 HE21 GLN A 84 -1.157 -0.968 -18.191 1.00 21.42 H new ATOM 0 HE22 GLN A 84 0.240 -1.884 -18.765 1.00 21.42 H new ATOM 1379 N ARG A 85 -3.037 2.851 -16.159 1.00 1.31 N ATOM 1380 CA ARG A 85 -4.481 2.666 -16.402 1.00 22.24 C ATOM 1381 C ARG A 85 -5.211 4.011 -16.392 1.00 74.22 C ATOM 1382 O ARG A 85 -6.030 4.245 -17.251 1.00 4.05 O ATOM 1383 CB ARG A 85 -5.116 1.658 -15.374 1.00 63.14 C ATOM 1384 CG ARG A 85 -5.251 0.197 -15.890 1.00 25.03 C ATOM 1385 CD ARG A 85 -3.934 -0.385 -16.440 1.00 64.45 C ATOM 1386 NE ARG A 85 -4.071 -1.794 -16.844 1.00 41.41 N ATOM 1387 CZ ARG A 85 -3.698 -2.305 -18.028 1.00 22.01 C ATOM 1388 NH1 ARG A 85 -3.161 -1.528 -18.979 1.00 1.31 N ATOM 1389 NH2 ARG A 85 -3.854 -3.597 -18.253 1.00 40.31 N ATOM 0 H ARG A 85 -2.748 2.584 -15.218 1.00 1.31 H new ATOM 0 HA ARG A 85 -4.599 2.229 -17.393 1.00 22.24 H new ATOM 0 HB2 ARG A 85 -4.509 1.654 -14.469 1.00 63.14 H new ATOM 0 HB3 ARG A 85 -6.104 2.022 -15.093 1.00 63.14 H new ATOM 0 HG2 ARG A 85 -5.607 -0.436 -15.077 1.00 25.03 H new ATOM 0 HG3 ARG A 85 -6.008 0.165 -16.673 1.00 25.03 H new ATOM 0 HD2 ARG A 85 -3.608 0.206 -17.296 1.00 64.45 H new ATOM 0 HD3 ARG A 85 -3.157 -0.301 -15.680 1.00 64.45 H new ATOM 0 HE ARG A 85 -4.484 -2.436 -16.167 1.00 41.41 H new ATOM 0 HH11 ARG A 85 -3.030 -0.531 -18.809 1.00 1.31 H new ATOM 0 HH12 ARG A 85 -2.883 -1.934 -19.873 1.00 1.31 H new ATOM 0 HH21 ARG A 85 -4.254 -4.196 -17.531 1.00 40.31 H new ATOM 0 HH22 ARG A 85 -3.574 -3.996 -19.149 1.00 40.31 H new ATOM 1403 N LEU A 86 -4.902 4.887 -15.422 1.00 53.01 N ATOM 1404 CA LEU A 86 -5.513 6.233 -15.342 1.00 53.13 C ATOM 1405 C LEU A 86 -5.050 7.108 -16.519 1.00 34.01 C ATOM 1406 O LEU A 86 -5.840 7.876 -17.072 1.00 1.53 O ATOM 1407 CB LEU A 86 -5.181 6.909 -13.988 1.00 12.33 C ATOM 1408 CG LEU A 86 -5.825 6.248 -12.730 1.00 70.31 C ATOM 1409 CD1 LEU A 86 -5.301 6.888 -11.433 1.00 51.21 C ATOM 1410 CD2 LEU A 86 -7.373 6.286 -12.799 1.00 42.14 C ATOM 0 H LEU A 86 -4.232 4.691 -14.679 1.00 53.01 H new ATOM 0 HA LEU A 86 -6.595 6.121 -15.406 1.00 53.13 H new ATOM 0 HB2 LEU A 86 -4.099 6.914 -13.860 1.00 12.33 H new ATOM 0 HB3 LEU A 86 -5.501 7.950 -14.034 1.00 12.33 H new ATOM 0 HG LEU A 86 -5.527 5.199 -12.721 1.00 70.31 H new ATOM 0 HD11 LEU A 86 -5.769 6.406 -10.575 1.00 51.21 H new ATOM 0 HD12 LEU A 86 -4.220 6.762 -11.376 1.00 51.21 H new ATOM 0 HD13 LEU A 86 -5.543 7.951 -11.428 1.00 51.21 H new ATOM 0 HD21 LEU A 86 -7.789 5.817 -11.907 1.00 42.14 H new ATOM 0 HD22 LEU A 86 -7.709 7.321 -12.855 1.00 42.14 H new ATOM 0 HD23 LEU A 86 -7.711 5.746 -13.684 1.00 42.14 H new ATOM 1422 N ASP A 87 -3.759 6.965 -16.885 1.00 34.02 N ATOM 1423 CA ASP A 87 -3.163 7.623 -18.064 1.00 33.33 C ATOM 1424 C ASP A 87 -3.841 7.126 -19.366 1.00 23.25 C ATOM 1425 O ASP A 87 -4.232 7.930 -20.225 1.00 74.10 O ATOM 1426 CB ASP A 87 -1.631 7.353 -18.086 1.00 52.33 C ATOM 1427 CG ASP A 87 -0.930 7.837 -19.367 1.00 71.41 C ATOM 1428 OD1 ASP A 87 -0.623 6.998 -20.241 1.00 22.12 O ATOM 1429 OD2 ASP A 87 -0.680 9.053 -19.502 1.00 5.02 O ATOM 0 H ASP A 87 -3.098 6.386 -16.367 1.00 34.02 H new ATOM 0 HA ASP A 87 -3.327 8.699 -18.001 1.00 33.33 H new ATOM 0 HB2 ASP A 87 -1.174 7.843 -17.226 1.00 52.33 H new ATOM 0 HB3 ASP A 87 -1.459 6.283 -17.972 1.00 52.33 H new ATOM 1434 N GLU A 88 -4.015 5.797 -19.458 1.00 12.21 N ATOM 1435 CA GLU A 88 -4.609 5.127 -20.624 1.00 13.02 C ATOM 1436 C GLU A 88 -6.065 5.582 -20.802 1.00 11.22 C ATOM 1437 O GLU A 88 -6.406 6.137 -21.833 1.00 15.00 O ATOM 1438 CB GLU A 88 -4.527 3.592 -20.436 1.00 61.41 C ATOM 1439 CG GLU A 88 -4.894 2.755 -21.673 1.00 62.42 C ATOM 1440 CD GLU A 88 -4.709 1.243 -21.445 1.00 43.14 C ATOM 1441 OE1 GLU A 88 -3.578 0.818 -21.106 1.00 31.33 O ATOM 1442 OE2 GLU A 88 -5.676 0.475 -21.617 1.00 2.32 O ATOM 0 H GLU A 88 -3.744 5.152 -18.716 1.00 12.21 H new ATOM 0 HA GLU A 88 -4.056 5.396 -21.524 1.00 13.02 H new ATOM 0 HB2 GLU A 88 -3.513 3.334 -20.132 1.00 61.41 H new ATOM 0 HB3 GLU A 88 -5.188 3.308 -19.617 1.00 61.41 H new ATOM 0 HG2 GLU A 88 -5.931 2.953 -21.946 1.00 62.42 H new ATOM 0 HG3 GLU A 88 -4.277 3.069 -22.515 1.00 62.42 H new ATOM 1449 N LEU A 89 -6.875 5.384 -19.738 1.00 51.52 N ATOM 1450 CA LEU A 89 -8.300 5.774 -19.671 1.00 72.45 C ATOM 1451 C LEU A 89 -8.498 7.267 -19.990 1.00 52.33 C ATOM 1452 O LEU A 89 -9.418 7.616 -20.716 1.00 52.23 O ATOM 1453 CB LEU A 89 -8.898 5.450 -18.265 1.00 75.12 C ATOM 1454 CG LEU A 89 -9.037 3.936 -17.901 1.00 52.33 C ATOM 1455 CD1 LEU A 89 -9.445 3.745 -16.420 1.00 50.31 C ATOM 1456 CD2 LEU A 89 -10.022 3.227 -18.853 1.00 71.33 C ATOM 0 H LEU A 89 -6.547 4.938 -18.881 1.00 51.52 H new ATOM 0 HA LEU A 89 -8.828 5.192 -20.427 1.00 72.45 H new ATOM 0 HB2 LEU A 89 -8.273 5.927 -17.510 1.00 75.12 H new ATOM 0 HB3 LEU A 89 -9.884 5.909 -18.199 1.00 75.12 H new ATOM 0 HG LEU A 89 -8.059 3.472 -18.029 1.00 52.33 H new ATOM 0 HD11 LEU A 89 -9.533 2.681 -16.201 1.00 50.31 H new ATOM 0 HD12 LEU A 89 -8.687 4.187 -15.774 1.00 50.31 H new ATOM 0 HD13 LEU A 89 -10.403 4.232 -16.241 1.00 50.31 H new ATOM 0 HD21 LEU A 89 -10.100 2.175 -18.578 1.00 71.33 H new ATOM 0 HD22 LEU A 89 -11.003 3.696 -18.777 1.00 71.33 H new ATOM 0 HD23 LEU A 89 -9.660 3.308 -19.878 1.00 71.33 H new ATOM 1468 N SER A 90 -7.615 8.137 -19.458 1.00 4.11 N ATOM 1469 CA SER A 90 -7.707 9.592 -19.690 1.00 40.03 C ATOM 1470 C SER A 90 -7.391 9.928 -21.160 1.00 32.11 C ATOM 1471 O SER A 90 -7.907 10.910 -21.696 1.00 45.34 O ATOM 1472 CB SER A 90 -6.782 10.378 -18.727 1.00 71.12 C ATOM 1473 OG SER A 90 -5.414 10.124 -18.974 1.00 73.11 O ATOM 0 H SER A 90 -6.832 7.858 -18.866 1.00 4.11 H new ATOM 0 HA SER A 90 -8.732 9.900 -19.482 1.00 40.03 H new ATOM 0 HB2 SER A 90 -6.976 11.446 -18.830 1.00 71.12 H new ATOM 0 HB3 SER A 90 -7.020 10.109 -17.698 1.00 71.12 H new ATOM 0 HG SER A 90 -5.320 9.271 -19.447 1.00 73.11 H new ATOM 1819 N MET A1001 -14.035 8.413 -8.899 1.00 72.52 N ATOM 1820 CA MET A1001 -13.118 7.275 -9.134 1.00 65.40 C ATOM 1821 C MET A1001 -11.681 7.768 -9.385 1.00 42.41 C ATOM 1822 O MET A1001 -10.741 7.317 -8.734 1.00 24.43 O ATOM 1823 CB MET A1001 -13.583 6.421 -10.354 1.00 74.24 C ATOM 1824 CG MET A1001 -12.695 5.186 -10.641 1.00 64.40 C ATOM 1825 SD MET A1001 -13.030 4.403 -12.240 1.00 54.33 S ATOM 1826 CE MET A1001 -12.417 5.631 -13.402 1.00 63.21 C ATOM 0 HA MET A1001 -13.136 6.657 -8.236 1.00 65.40 H new ATOM 0 HB2 MET A1001 -14.606 6.086 -10.180 1.00 74.24 H new ATOM 0 HB3 MET A1001 -13.602 7.055 -11.241 1.00 74.24 H new ATOM 0 HG2 MET A1001 -11.648 5.487 -10.606 1.00 64.40 H new ATOM 0 HG3 MET A1001 -12.842 4.452 -9.849 1.00 64.40 H new ATOM 0 HE1 MET A1001 -12.314 5.179 -14.389 1.00 63.21 H new ATOM 0 HE2 MET A1001 -13.119 6.463 -13.456 1.00 63.21 H new ATOM 0 HE3 MET A1001 -11.446 5.996 -13.067 1.00 63.21 H new ATOM 1836 N THR A1002 -11.553 8.726 -10.316 1.00 4.23 N ATOM 1837 CA THR A1002 -10.256 9.230 -10.774 1.00 34.14 C ATOM 1838 C THR A1002 -9.567 10.070 -9.692 1.00 0.42 C ATOM 1839 O THR A1002 -8.384 9.865 -9.438 1.00 4.23 O ATOM 1840 CB THR A1002 -10.394 10.054 -12.090 1.00 22.34 C ATOM 1841 OG1 THR A1002 -11.374 11.096 -11.919 1.00 1.53 O ATOM 1842 CG2 THR A1002 -10.780 9.157 -13.278 1.00 41.31 C ATOM 0 H THR A1002 -12.350 9.172 -10.771 1.00 4.23 H new ATOM 0 HA THR A1002 -9.633 8.360 -10.981 1.00 34.14 H new ATOM 0 HB THR A1002 -9.424 10.501 -12.309 1.00 22.34 H new ATOM 0 HG1 THR A1002 -11.453 11.610 -12.750 1.00 1.53 H new ATOM 0 HG21 THR A1002 -10.868 9.764 -14.179 1.00 41.31 H new ATOM 0 HG22 THR A1002 -10.012 8.398 -13.425 1.00 41.31 H new ATOM 0 HG23 THR A1002 -11.735 8.672 -13.073 1.00 41.31 H new ATOM 1850 N THR A1003 -10.320 10.986 -9.036 1.00 15.31 N ATOM 1851 CA THR A1003 -9.750 11.873 -8.001 1.00 31.20 C ATOM 1852 C THR A1003 -9.212 11.039 -6.818 1.00 40.13 C ATOM 1853 O THR A1003 -8.129 11.333 -6.282 1.00 73.23 O ATOM 1854 CB THR A1003 -10.775 12.960 -7.500 1.00 35.32 C ATOM 1855 OG1 THR A1003 -10.071 14.030 -6.851 1.00 51.35 O ATOM 1856 CG2 THR A1003 -11.837 12.409 -6.522 1.00 63.02 C ATOM 0 H THR A1003 -11.316 11.127 -9.206 1.00 15.31 H new ATOM 0 HA THR A1003 -8.924 12.414 -8.462 1.00 31.20 H new ATOM 0 HB THR A1003 -11.301 13.309 -8.389 1.00 35.32 H new ATOM 0 HG1 THR A1003 -10.712 14.704 -6.543 1.00 51.35 H new ATOM 0 HG21 THR A1003 -12.507 13.214 -6.221 1.00 63.02 H new ATOM 0 HG22 THR A1003 -12.412 11.624 -7.013 1.00 63.02 H new ATOM 0 HG23 THR A1003 -11.343 11.999 -5.641 1.00 63.02 H new ATOM 1864 N ARG A1004 -9.954 9.964 -6.464 1.00 3.35 N ATOM 1865 CA ARG A1004 -9.590 9.084 -5.354 1.00 15.20 C ATOM 1866 C ARG A1004 -8.374 8.233 -5.718 1.00 34.55 C ATOM 1867 O ARG A1004 -7.464 8.126 -4.919 1.00 61.54 O ATOM 1868 CB ARG A1004 -10.779 8.204 -4.907 1.00 55.21 C ATOM 1869 CG ARG A1004 -11.927 8.994 -4.240 1.00 33.23 C ATOM 1870 CD ARG A1004 -13.060 8.093 -3.728 1.00 62.52 C ATOM 1871 NE ARG A1004 -12.627 7.226 -2.616 1.00 12.23 N ATOM 1872 CZ ARG A1004 -13.429 6.401 -1.926 1.00 11.31 C ATOM 1873 NH1 ARG A1004 -14.725 6.293 -2.216 1.00 12.21 N ATOM 1874 NH2 ARG A1004 -12.931 5.710 -0.921 1.00 62.45 N ATOM 0 H ARG A1004 -10.813 9.693 -6.942 1.00 3.35 H new ATOM 0 HA ARG A1004 -9.323 9.713 -4.505 1.00 15.20 H new ATOM 0 HB2 ARG A1004 -11.172 7.674 -5.774 1.00 55.21 H new ATOM 0 HB3 ARG A1004 -10.417 7.449 -4.209 1.00 55.21 H new ATOM 0 HG2 ARG A1004 -11.526 9.572 -3.407 1.00 33.23 H new ATOM 0 HG3 ARG A1004 -12.334 9.707 -4.957 1.00 33.23 H new ATOM 0 HD2 ARG A1004 -13.894 8.713 -3.399 1.00 62.52 H new ATOM 0 HD3 ARG A1004 -13.427 7.474 -4.547 1.00 62.52 H new ATOM 0 HE ARG A1004 -11.642 7.256 -2.351 1.00 12.23 H new ATOM 0 HH11 ARG A1004 -15.125 6.844 -2.975 1.00 12.21 H new ATOM 0 HH12 ARG A1004 -15.317 5.660 -1.679 1.00 12.21 H new ATOM 0 HH21 ARG A1004 -11.946 5.806 -0.675 1.00 62.45 H new ATOM 0 HH22 ARG A1004 -13.531 5.080 -0.389 1.00 62.45 H new ATOM 1888 N LEU A1005 -8.342 7.675 -6.943 1.00 11.43 N ATOM 1889 CA LEU A1005 -7.197 6.859 -7.400 1.00 63.51 C ATOM 1890 C LEU A1005 -5.915 7.710 -7.588 1.00 12.43 C ATOM 1891 O LEU A1005 -4.818 7.216 -7.340 1.00 42.23 O ATOM 1892 CB LEU A1005 -7.542 6.070 -8.693 1.00 11.41 C ATOM 1893 CG LEU A1005 -8.520 4.860 -8.533 1.00 72.42 C ATOM 1894 CD1 LEU A1005 -8.771 4.168 -9.891 1.00 64.55 C ATOM 1895 CD2 LEU A1005 -8.005 3.848 -7.476 1.00 33.23 C ATOM 0 H LEU A1005 -9.089 7.772 -7.631 1.00 11.43 H new ATOM 0 HA LEU A1005 -6.990 6.134 -6.613 1.00 63.51 H new ATOM 0 HB2 LEU A1005 -7.975 6.766 -9.412 1.00 11.41 H new ATOM 0 HB3 LEU A1005 -6.612 5.702 -9.126 1.00 11.41 H new ATOM 0 HG LEU A1005 -9.472 5.251 -8.174 1.00 72.42 H new ATOM 0 HD11 LEU A1005 -9.454 3.330 -9.752 1.00 64.55 H new ATOM 0 HD12 LEU A1005 -9.210 4.882 -10.588 1.00 64.55 H new ATOM 0 HD13 LEU A1005 -7.826 3.803 -10.293 1.00 64.55 H new ATOM 0 HD21 LEU A1005 -8.709 3.020 -7.391 1.00 33.23 H new ATOM 0 HD22 LEU A1005 -7.031 3.466 -7.782 1.00 33.23 H new ATOM 0 HD23 LEU A1005 -7.912 4.346 -6.511 1.00 33.23 H new ATOM 1907 N THR A1006 -6.057 8.989 -7.994 1.00 21.14 N ATOM 1908 CA THR A1006 -4.893 9.882 -8.194 1.00 53.50 C ATOM 1909 C THR A1006 -4.292 10.309 -6.833 1.00 50.13 C ATOM 1910 O THR A1006 -3.060 10.286 -6.668 1.00 3.51 O ATOM 1911 CB THR A1006 -5.235 11.143 -9.070 1.00 35.32 C ATOM 1912 OG1 THR A1006 -6.325 11.872 -8.495 1.00 3.43 O ATOM 1913 CG2 THR A1006 -5.594 10.759 -10.522 1.00 30.33 C ATOM 0 H THR A1006 -6.958 9.425 -8.189 1.00 21.14 H new ATOM 0 HA THR A1006 -4.149 9.308 -8.747 1.00 53.50 H new ATOM 0 HB THR A1006 -4.341 11.766 -9.091 1.00 35.32 H new ATOM 0 HG1 THR A1006 -6.722 11.348 -7.768 1.00 3.43 H new ATOM 0 HG21 THR A1006 -5.823 11.660 -11.091 1.00 30.33 H new ATOM 0 HG22 THR A1006 -4.750 10.245 -10.982 1.00 30.33 H new ATOM 0 HG23 THR A1006 -6.463 10.101 -10.520 1.00 30.33 H new ATOM 1921 N ARG A1007 -5.160 10.664 -5.847 1.00 14.32 N ATOM 1922 CA ARG A1007 -4.698 10.991 -4.469 1.00 72.22 C ATOM 1923 C ARG A1007 -4.137 9.724 -3.777 1.00 41.42 C ATOM 1924 O ARG A1007 -3.262 9.808 -2.908 1.00 54.30 O ATOM 1925 CB ARG A1007 -5.833 11.601 -3.596 1.00 11.10 C ATOM 1926 CG ARG A1007 -6.900 10.583 -3.136 1.00 2.32 C ATOM 1927 CD ARG A1007 -7.939 11.148 -2.171 1.00 44.45 C ATOM 1928 NE ARG A1007 -8.869 10.098 -1.728 1.00 44.22 N ATOM 1929 CZ ARG A1007 -9.963 10.290 -0.984 1.00 41.44 C ATOM 1930 NH1 ARG A1007 -10.312 11.504 -0.571 1.00 74.20 N ATOM 1931 NH2 ARG A1007 -10.703 9.256 -0.649 1.00 54.04 N ATOM 0 H ARG A1007 -6.169 10.731 -5.977 1.00 14.32 H new ATOM 0 HA ARG A1007 -3.912 11.740 -4.565 1.00 72.22 H new ATOM 0 HB2 ARG A1007 -5.388 12.066 -2.716 1.00 11.10 H new ATOM 0 HB3 ARG A1007 -6.324 12.393 -4.161 1.00 11.10 H new ATOM 0 HG2 ARG A1007 -7.413 10.192 -4.014 1.00 2.32 H new ATOM 0 HG3 ARG A1007 -6.399 9.741 -2.658 1.00 2.32 H new ATOM 0 HD2 ARG A1007 -7.439 11.585 -1.307 1.00 44.45 H new ATOM 0 HD3 ARG A1007 -8.494 11.950 -2.657 1.00 44.45 H new ATOM 0 HE ARG A1007 -8.661 9.141 -2.013 1.00 44.22 H new ATOM 0 HH11 ARG A1007 -9.741 12.311 -0.821 1.00 74.20 H new ATOM 0 HH12 ARG A1007 -11.151 11.628 -0.004 1.00 74.20 H new ATOM 0 HH21 ARG A1007 -10.440 8.320 -0.956 1.00 54.04 H new ATOM 0 HH22 ARG A1007 -11.540 9.390 -0.082 1.00 54.04 H new ATOM 1945 N TRP A1008 -4.690 8.563 -4.182 1.00 52.54 N ATOM 1946 CA TRP A1008 -4.283 7.235 -3.717 1.00 33.10 C ATOM 1947 C TRP A1008 -2.872 6.915 -4.219 1.00 1.33 C ATOM 1948 O TRP A1008 -2.069 6.429 -3.446 1.00 55.02 O ATOM 1949 CB TRP A1008 -5.359 6.184 -4.166 1.00 42.31 C ATOM 1950 CG TRP A1008 -4.891 4.790 -4.500 1.00 41.51 C ATOM 1951 CD1 TRP A1008 -4.503 4.334 -5.729 1.00 22.13 C ATOM 1952 CD2 TRP A1008 -4.831 3.662 -3.625 1.00 25.14 C ATOM 1953 NE1 TRP A1008 -4.177 3.017 -5.656 1.00 35.25 N ATOM 1954 CE2 TRP A1008 -4.374 2.574 -4.386 1.00 11.40 C ATOM 1955 CE3 TRP A1008 -5.105 3.473 -2.277 1.00 13.11 C ATOM 1956 CZ2 TRP A1008 -4.192 1.315 -3.847 1.00 50.01 C ATOM 1957 CZ3 TRP A1008 -4.925 2.224 -1.738 1.00 60.45 C ATOM 1958 CH2 TRP A1008 -4.472 1.159 -2.523 1.00 71.51 C ATOM 0 H TRP A1008 -5.452 8.530 -4.860 1.00 52.54 H new ATOM 0 HA TRP A1008 -4.234 7.202 -2.629 1.00 33.10 H new ATOM 0 HB2 TRP A1008 -6.101 6.106 -3.371 1.00 42.31 H new ATOM 0 HB3 TRP A1008 -5.871 6.583 -5.042 1.00 42.31 H new ATOM 0 HD1 TRP A1008 -4.462 4.933 -6.627 1.00 22.13 H new ATOM 0 HE1 TRP A1008 -3.838 2.450 -6.433 1.00 35.25 H new ATOM 0 HE3 TRP A1008 -5.453 4.292 -1.665 1.00 13.11 H new ATOM 0 HZ2 TRP A1008 -3.843 0.490 -4.450 1.00 50.01 H new ATOM 0 HZ3 TRP A1008 -5.136 2.061 -0.692 1.00 60.45 H new ATOM 0 HH2 TRP A1008 -4.341 0.188 -2.068 1.00 71.51 H new ATOM 1969 N LEU A1009 -2.562 7.265 -5.496 1.00 14.14 N ATOM 1970 CA LEU A1009 -1.234 6.994 -6.104 1.00 61.23 C ATOM 1971 C LEU A1009 -0.198 7.958 -5.512 1.00 20.51 C ATOM 1972 O LEU A1009 0.981 7.623 -5.408 1.00 13.11 O ATOM 1973 CB LEU A1009 -1.260 7.125 -7.655 1.00 1.21 C ATOM 1974 CG LEU A1009 -2.096 6.062 -8.430 1.00 63.21 C ATOM 1975 CD1 LEU A1009 -2.092 6.347 -9.943 1.00 21.33 C ATOM 1976 CD2 LEU A1009 -1.607 4.628 -8.139 1.00 70.55 C ATOM 0 H LEU A1009 -3.215 7.735 -6.123 1.00 14.14 H new ATOM 0 HA LEU A1009 -0.963 5.964 -5.873 1.00 61.23 H new ATOM 0 HB2 LEU A1009 -1.646 8.113 -7.907 1.00 1.21 H new ATOM 0 HB3 LEU A1009 -0.233 7.082 -8.018 1.00 1.21 H new ATOM 0 HG LEU A1009 -3.123 6.137 -8.074 1.00 63.21 H new ATOM 0 HD11 LEU A1009 -2.683 5.589 -10.458 1.00 21.33 H new ATOM 0 HD12 LEU A1009 -2.522 7.331 -10.129 1.00 21.33 H new ATOM 0 HD13 LEU A1009 -1.068 6.323 -10.315 1.00 21.33 H new ATOM 0 HD21 LEU A1009 -2.215 3.916 -8.697 1.00 70.55 H new ATOM 0 HD22 LEU A1009 -0.564 4.531 -8.441 1.00 70.55 H new ATOM 0 HD23 LEU A1009 -1.696 4.423 -7.072 1.00 70.55 H new ATOM 1988 N THR A1010 -0.675 9.162 -5.150 1.00 0.41 N ATOM 1989 CA THR A1010 0.099 10.150 -4.398 1.00 4.23 C ATOM 1990 C THR A1010 0.436 9.614 -2.982 1.00 45.54 C ATOM 1991 O THR A1010 1.555 9.793 -2.487 1.00 44.32 O ATOM 1992 CB THR A1010 -0.708 11.486 -4.290 1.00 73.03 C ATOM 1993 OG1 THR A1010 -0.973 12.005 -5.602 1.00 3.31 O ATOM 1994 CG2 THR A1010 0.017 12.545 -3.457 1.00 40.34 C ATOM 0 H THR A1010 -1.619 9.474 -5.377 1.00 0.41 H new ATOM 0 HA THR A1010 1.034 10.338 -4.926 1.00 4.23 H new ATOM 0 HB THR A1010 -1.643 11.254 -3.781 1.00 73.03 H new ATOM 0 HG1 THR A1010 -1.673 11.470 -6.030 1.00 3.31 H new ATOM 0 HG21 THR A1010 -0.587 13.451 -3.415 1.00 40.34 H new ATOM 0 HG22 THR A1010 0.176 12.167 -2.447 1.00 40.34 H new ATOM 0 HG23 THR A1010 0.980 12.772 -3.915 1.00 40.34 H new ATOM 2002 N ALA A1011 -0.548 8.937 -2.357 1.00 45.42 N ATOM 2003 CA ALA A1011 -0.412 8.360 -1.008 1.00 71.41 C ATOM 2004 C ALA A1011 0.475 7.097 -1.029 1.00 25.44 C ATOM 2005 O ALA A1011 1.182 6.819 -0.049 1.00 4.10 O ATOM 2006 CB ALA A1011 -1.799 8.037 -0.445 1.00 71.42 C ATOM 0 H ALA A1011 -1.463 8.775 -2.777 1.00 45.42 H new ATOM 0 HA ALA A1011 0.074 9.092 -0.363 1.00 71.41 H new ATOM 0 HB1 ALA A1011 -1.696 7.610 0.553 1.00 71.42 H new ATOM 0 HB2 ALA A1011 -2.391 8.951 -0.390 1.00 71.42 H new ATOM 0 HB3 ALA A1011 -2.298 7.320 -1.097 1.00 71.42 H new ATOM 2012 N LEU A1012 0.422 6.353 -2.162 1.00 73.25 N ATOM 2013 CA LEU A1012 1.267 5.160 -2.383 1.00 22.13 C ATOM 2014 C LEU A1012 2.713 5.615 -2.549 1.00 21.41 C ATOM 2015 O LEU A1012 3.628 5.022 -2.006 1.00 71.24 O ATOM 2016 CB LEU A1012 0.852 4.342 -3.652 1.00 11.04 C ATOM 2017 CG LEU A1012 -0.593 3.755 -3.707 1.00 10.33 C ATOM 2018 CD1 LEU A1012 -0.743 2.749 -4.870 1.00 32.03 C ATOM 2019 CD2 LEU A1012 -1.026 3.142 -2.358 1.00 62.13 C ATOM 0 H LEU A1012 -0.203 6.563 -2.940 1.00 73.25 H new ATOM 0 HA LEU A1012 1.142 4.506 -1.520 1.00 22.13 H new ATOM 0 HB2 LEU A1012 0.984 4.986 -4.522 1.00 11.04 H new ATOM 0 HB3 LEU A1012 1.553 3.514 -3.759 1.00 11.04 H new ATOM 0 HG LEU A1012 -1.271 4.586 -3.900 1.00 10.33 H new ATOM 0 HD11 LEU A1012 -1.760 2.357 -4.883 1.00 32.03 H new ATOM 0 HD12 LEU A1012 -0.536 3.252 -5.815 1.00 32.03 H new ATOM 0 HD13 LEU A1012 -0.039 1.928 -4.734 1.00 32.03 H new ATOM 0 HD21 LEU A1012 -2.038 2.747 -2.446 1.00 62.13 H new ATOM 0 HD22 LEU A1012 -0.344 2.336 -2.089 1.00 62.13 H new ATOM 0 HD23 LEU A1012 -1.002 3.910 -1.585 1.00 62.13 H new ATOM 2031 N ASP A1013 2.875 6.697 -3.331 1.00 63.23 N ATOM 2032 CA ASP A1013 4.162 7.350 -3.587 1.00 35.13 C ATOM 2033 C ASP A1013 4.795 7.843 -2.271 1.00 1.13 C ATOM 2034 O ASP A1013 5.993 7.643 -2.043 1.00 45.12 O ATOM 2035 CB ASP A1013 3.949 8.532 -4.575 1.00 23.12 C ATOM 2036 CG ASP A1013 5.218 9.354 -4.842 1.00 62.34 C ATOM 2037 OD1 ASP A1013 6.047 8.933 -5.677 1.00 24.45 O ATOM 2038 OD2 ASP A1013 5.391 10.422 -4.219 1.00 20.22 O ATOM 0 H ASP A1013 2.096 7.148 -3.811 1.00 63.23 H new ATOM 0 HA ASP A1013 4.848 6.630 -4.033 1.00 35.13 H new ATOM 0 HB2 ASP A1013 3.576 8.140 -5.521 1.00 23.12 H new ATOM 0 HB3 ASP A1013 3.178 9.191 -4.177 1.00 23.12 H new ATOM 2043 N ASN A1014 3.954 8.460 -1.412 1.00 22.13 N ATOM 2044 CA ASN A1014 4.376 9.032 -0.121 1.00 71.12 C ATOM 2045 C ASN A1014 4.876 7.919 0.822 1.00 65.20 C ATOM 2046 O ASN A1014 5.959 8.035 1.405 1.00 13.23 O ATOM 2047 CB ASN A1014 3.201 9.810 0.542 1.00 60.45 C ATOM 2048 CG ASN A1014 3.614 10.592 1.799 1.00 51.34 C ATOM 2049 OD1 ASN A1014 4.738 11.092 1.901 1.00 61.40 O ATOM 2050 ND2 ASN A1014 2.712 10.715 2.763 1.00 25.51 N ATOM 0 H ASN A1014 2.958 8.574 -1.599 1.00 22.13 H new ATOM 0 HA ASN A1014 5.194 9.729 -0.305 1.00 71.12 H new ATOM 0 HB2 ASN A1014 2.779 10.504 -0.185 1.00 60.45 H new ATOM 0 HB3 ASN A1014 2.412 9.105 0.805 1.00 60.45 H new ATOM 0 HD21 ASN A1014 2.940 11.232 3.612 1.00 25.51 H new ATOM 0 HD22 ASN A1014 1.790 10.293 2.655 1.00 25.51 H new ATOM 2057 N PHE A1015 4.075 6.829 0.927 1.00 62.11 N ATOM 2058 CA PHE A1015 4.406 5.651 1.748 1.00 73.13 C ATOM 2059 C PHE A1015 5.699 4.987 1.249 1.00 22.44 C ATOM 2060 O PHE A1015 6.647 4.876 2.008 1.00 44.41 O ATOM 2061 CB PHE A1015 3.226 4.641 1.728 1.00 14.15 C ATOM 2062 CG PHE A1015 3.558 3.228 2.246 1.00 43.20 C ATOM 2063 CD1 PHE A1015 3.602 2.147 1.374 1.00 43.15 C ATOM 2064 CD2 PHE A1015 3.827 2.982 3.592 1.00 2.54 C ATOM 2065 CE1 PHE A1015 3.890 0.873 1.814 1.00 73.25 C ATOM 2066 CE2 PHE A1015 4.118 1.702 4.038 1.00 15.33 C ATOM 2067 CZ PHE A1015 4.150 0.649 3.142 1.00 4.34 C ATOM 0 H PHE A1015 3.182 6.748 0.442 1.00 62.11 H new ATOM 0 HA PHE A1015 4.570 5.976 2.775 1.00 73.13 H new ATOM 0 HB2 PHE A1015 2.412 5.048 2.328 1.00 14.15 H new ATOM 0 HB3 PHE A1015 2.858 4.558 0.705 1.00 14.15 H new ATOM 0 HD1 PHE A1015 3.405 2.309 0.325 1.00 43.15 H new ATOM 0 HD2 PHE A1015 3.808 3.800 4.297 1.00 2.54 H new ATOM 0 HE1 PHE A1015 3.911 0.051 1.113 1.00 73.25 H new ATOM 0 HE2 PHE A1015 4.320 1.527 5.085 1.00 15.33 H new ATOM 0 HZ PHE A1015 4.379 -0.348 3.487 1.00 4.34 H new ATOM 2077 N GLU A1016 5.684 4.568 -0.032 1.00 3.34 N ATOM 2078 CA GLU A1016 6.792 3.859 -0.712 1.00 0.40 C ATOM 2079 C GLU A1016 8.128 4.591 -0.495 1.00 24.22 C ATOM 2080 O GLU A1016 9.092 4.002 0.025 1.00 33.21 O ATOM 2081 CB GLU A1016 6.444 3.717 -2.235 1.00 42.34 C ATOM 2082 CG GLU A1016 7.223 2.633 -3.028 1.00 55.01 C ATOM 2083 CD GLU A1016 8.603 3.067 -3.557 1.00 4.45 C ATOM 2084 OE1 GLU A1016 9.617 2.885 -2.851 1.00 73.24 O ATOM 2085 OE2 GLU A1016 8.678 3.582 -4.695 1.00 3.40 O ATOM 0 H GLU A1016 4.879 4.716 -0.641 1.00 3.34 H new ATOM 0 HA GLU A1016 6.909 2.863 -0.285 1.00 0.40 H new ATOM 0 HB2 GLU A1016 5.379 3.503 -2.323 1.00 42.34 H new ATOM 0 HB3 GLU A1016 6.617 4.680 -2.715 1.00 42.34 H new ATOM 0 HG2 GLU A1016 7.356 1.762 -2.386 1.00 55.01 H new ATOM 0 HG3 GLU A1016 6.612 2.315 -3.873 1.00 55.01 H new ATOM 2092 N ALA A1017 8.131 5.896 -0.831 1.00 40.22 N ATOM 2093 CA ALA A1017 9.316 6.753 -0.729 1.00 52.25 C ATOM 2094 C ALA A1017 9.803 6.837 0.726 1.00 10.44 C ATOM 2095 O ALA A1017 10.921 6.419 1.017 1.00 10.43 O ATOM 2096 CB ALA A1017 9.019 8.153 -1.287 1.00 2.34 C ATOM 0 H ALA A1017 7.305 6.382 -1.182 1.00 40.22 H new ATOM 0 HA ALA A1017 10.112 6.309 -1.327 1.00 52.25 H new ATOM 0 HB1 ALA A1017 9.910 8.775 -1.203 1.00 2.34 H new ATOM 0 HB2 ALA A1017 8.730 8.073 -2.335 1.00 2.34 H new ATOM 0 HB3 ALA A1017 8.206 8.606 -0.720 1.00 2.34 H new ATOM 2102 N LYS A1018 8.919 7.317 1.636 1.00 74.03 N ATOM 2103 CA LYS A1018 9.256 7.545 3.064 1.00 33.44 C ATOM 2104 C LYS A1018 9.722 6.257 3.765 1.00 60.01 C ATOM 2105 O LYS A1018 10.673 6.278 4.562 1.00 23.33 O ATOM 2106 CB LYS A1018 8.030 8.140 3.824 1.00 52.24 C ATOM 2107 CG LYS A1018 8.185 8.347 5.368 1.00 61.21 C ATOM 2108 CD LYS A1018 9.002 9.601 5.798 1.00 31.13 C ATOM 2109 CE LYS A1018 10.527 9.454 5.655 1.00 34.41 C ATOM 2110 NZ LYS A1018 11.238 10.686 6.072 1.00 25.31 N ATOM 0 H LYS A1018 7.956 7.556 1.402 1.00 74.03 H new ATOM 0 HA LYS A1018 10.083 8.255 3.086 1.00 33.44 H new ATOM 0 HB2 LYS A1018 7.788 9.103 3.375 1.00 52.24 H new ATOM 0 HB3 LYS A1018 7.175 7.485 3.654 1.00 52.24 H new ATOM 0 HG2 LYS A1018 7.191 8.414 5.810 1.00 61.21 H new ATOM 0 HG3 LYS A1018 8.662 7.462 5.789 1.00 61.21 H new ATOM 0 HD2 LYS A1018 8.675 10.453 5.202 1.00 31.13 H new ATOM 0 HD3 LYS A1018 8.769 9.831 6.838 1.00 31.13 H new ATOM 0 HE2 LYS A1018 10.870 8.614 6.259 1.00 34.41 H new ATOM 0 HE3 LYS A1018 10.775 9.224 4.619 1.00 34.41 H new ATOM 0 HZ1 LYS A1018 12.263 10.549 5.962 1.00 25.31 H new ATOM 0 HZ2 LYS A1018 10.929 11.483 5.479 1.00 25.31 H new ATOM 0 HZ3 LYS A1018 11.021 10.892 7.068 1.00 25.31 H new ATOM 2124 N MET A1019 9.061 5.136 3.458 1.00 44.42 N ATOM 2125 CA MET A1019 9.321 3.871 4.145 1.00 51.23 C ATOM 2126 C MET A1019 10.597 3.202 3.601 1.00 71.30 C ATOM 2127 O MET A1019 11.218 2.384 4.293 1.00 24.44 O ATOM 2128 CB MET A1019 8.104 2.912 4.096 1.00 73.22 C ATOM 2129 CG MET A1019 7.960 2.050 2.822 1.00 1.43 C ATOM 2130 SD MET A1019 7.426 0.377 3.210 1.00 14.22 S ATOM 2131 CE MET A1019 8.693 -0.114 4.380 1.00 4.23 C ATOM 0 H MET A1019 8.342 5.081 2.737 1.00 44.42 H new ATOM 0 HA MET A1019 9.486 4.103 5.197 1.00 51.23 H new ATOM 0 HB2 MET A1019 8.160 2.244 4.956 1.00 73.22 H new ATOM 0 HB3 MET A1019 7.197 3.505 4.212 1.00 73.22 H new ATOM 0 HG2 MET A1019 7.241 2.515 2.147 1.00 1.43 H new ATOM 0 HG3 MET A1019 8.914 2.015 2.296 1.00 1.43 H new ATOM 0 HE1 MET A1019 8.643 -1.191 4.540 1.00 4.23 H new ATOM 0 HE2 MET A1019 9.674 0.149 3.985 1.00 4.23 H new ATOM 0 HE3 MET A1019 8.533 0.401 5.327 1.00 4.23 H new ATOM 2141 N ALA A1020 10.967 3.541 2.349 1.00 42.04 N ATOM 2142 CA ALA A1020 12.294 3.207 1.806 1.00 62.35 C ATOM 2143 C ALA A1020 13.362 4.064 2.511 1.00 30.03 C ATOM 2144 O ALA A1020 14.465 3.588 2.803 1.00 60.43 O ATOM 2145 CB ALA A1020 12.327 3.416 0.279 1.00 64.30 C ATOM 0 H ALA A1020 10.365 4.045 1.698 1.00 42.04 H new ATOM 0 HA ALA A1020 12.508 2.155 1.994 1.00 62.35 H new ATOM 0 HB1 ALA A1020 13.317 3.163 -0.102 1.00 64.30 H new ATOM 0 HB2 ALA A1020 11.582 2.774 -0.192 1.00 64.30 H new ATOM 0 HB3 ALA A1020 12.105 4.458 0.050 1.00 64.30 H new ATOM 2151 N LEU A1021 12.993 5.324 2.817 1.00 63.00 N ATOM 2152 CA LEU A1021 13.878 6.297 3.484 1.00 34.31 C ATOM 2153 C LEU A1021 13.975 6.043 5.008 1.00 61.42 C ATOM 2154 O LEU A1021 14.814 6.673 5.652 1.00 43.03 O ATOM 2155 CB LEU A1021 13.394 7.753 3.202 1.00 41.11 C ATOM 2156 CG LEU A1021 13.387 8.191 1.699 1.00 3.03 C ATOM 2157 CD1 LEU A1021 12.790 9.602 1.519 1.00 33.15 C ATOM 2158 CD2 LEU A1021 14.792 8.082 1.065 1.00 53.44 C ATOM 0 H LEU A1021 12.067 5.696 2.607 1.00 63.00 H new ATOM 0 HA LEU A1021 14.878 6.168 3.070 1.00 34.31 H new ATOM 0 HB2 LEU A1021 12.384 7.863 3.597 1.00 41.11 H new ATOM 0 HB3 LEU A1021 14.031 8.441 3.758 1.00 41.11 H new ATOM 0 HG LEU A1021 12.738 7.496 1.166 1.00 3.03 H new ATOM 0 HD11 LEU A1021 12.802 9.870 0.463 1.00 33.15 H new ATOM 0 HD12 LEU A1021 11.763 9.612 1.884 1.00 33.15 H new ATOM 0 HD13 LEU A1021 13.382 10.322 2.083 1.00 33.15 H new ATOM 0 HD21 LEU A1021 14.746 8.395 0.022 1.00 53.44 H new ATOM 0 HD22 LEU A1021 15.486 8.725 1.606 1.00 53.44 H new ATOM 0 HD23 LEU A1021 15.137 7.049 1.119 1.00 53.44 H new ATOM 2170 N LEU A1022 13.084 5.169 5.573 1.00 74.02 N ATOM 2171 CA LEU A1022 13.178 4.687 6.990 1.00 52.52 C ATOM 2172 C LEU A1022 14.609 4.182 7.325 1.00 20.31 C ATOM 2173 O LEU A1022 15.013 3.123 6.828 1.00 34.24 O ATOM 2174 CB LEU A1022 12.161 3.520 7.283 1.00 24.22 C ATOM 2175 CG LEU A1022 10.660 3.894 7.511 1.00 1.14 C ATOM 2176 CD1 LEU A1022 9.779 2.624 7.637 1.00 25.31 C ATOM 2177 CD2 LEU A1022 10.475 4.798 8.746 1.00 31.43 C ATOM 0 H LEU A1022 12.289 4.783 5.065 1.00 74.02 H new ATOM 0 HA LEU A1022 12.933 5.545 7.616 1.00 52.52 H new ATOM 0 HB2 LEU A1022 12.208 2.819 6.449 1.00 24.22 H new ATOM 0 HB3 LEU A1022 12.510 2.987 8.167 1.00 24.22 H new ATOM 0 HG LEU A1022 10.336 4.455 6.634 1.00 1.14 H new ATOM 0 HD11 LEU A1022 8.741 2.916 7.795 1.00 25.31 H new ATOM 0 HD12 LEU A1022 9.856 2.036 6.723 1.00 25.31 H new ATOM 0 HD13 LEU A1022 10.121 2.027 8.482 1.00 25.31 H new ATOM 0 HD21 LEU A1022 9.418 5.035 8.869 1.00 31.43 H new ATOM 0 HD22 LEU A1022 10.836 4.279 9.634 1.00 31.43 H new ATOM 0 HD23 LEU A1022 11.040 5.720 8.610 1.00 31.43 H new