USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 879 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 Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.149 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.769 USER MOD Single : A 30 CYS SG : rot 42:sc= -0.0662 USER MOD Single : A 31 THR OG1 : rot 126:sc= 1.27 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.22 K(o=-0.22,f=-2.4!) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.689 USER MOD Single : A 53 SER OG : rot -140:sc= -2.29! USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -5.68! C(o=-5.7!,f=-5.8!) USER MOD Single : A 70 LYS NZ :NH3+ 154:sc= 0.769 (180deg=0.533) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -3.5 X(o=-3.5,f=-3.6!) USER MOD Single : A 75 MET CE :methyl -140:sc= -0.564 (180deg=-3.68!) USER MOD Single : A 81 MET CE :methyl -118:sc= -6.02 (180deg=-14!) USER MOD Single : A 82 THR OG1 : rot 120:sc= -0.895 USER MOD Single : A 84 HIS :FLIP no HE2:sc= -3.71! F(o=-4.5,f=-3.7!) USER MOD Single : A 85 SER OG : rot -64:sc= 0.142 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -137:sc= -2.1! USER MOD Single : A 95 GLN : amide:sc= -0.0874 K(o=-0.087,f=-0.92!) USER MOD Single : A 96 GLN : amide:sc= -0.154 K(o=-0.15,f=-2.9!) USER MOD Single : A 101 TYR OH : rot 50:sc= -3.11! USER MOD Single : A 104 LYS NZ :NH3+ -144:sc= 0.526 (180deg=0.0956) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 122 TYR OH : rot -85:sc= 0.671 USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 4.136 -3.211 -1.543 1.00 31.34 N ATOM 36 CA ARG A 3 5.395 -3.424 -2.245 1.00 44.35 C ATOM 37 C ARG A 3 5.931 -4.829 -1.988 1.00 4.00 C ATOM 38 O ARG A 3 7.003 -5.194 -2.470 1.00 1.44 O ATOM 39 CB ARG A 3 6.429 -2.384 -1.809 1.00 23.11 C ATOM 40 CG ARG A 3 7.263 -2.819 -0.615 1.00 45.31 C ATOM 41 CD ARG A 3 6.392 -3.111 0.596 1.00 22.25 C ATOM 42 NE ARG A 3 5.777 -1.900 1.133 1.00 21.45 N ATOM 43 CZ ARG A 3 6.415 -1.036 1.915 1.00 64.41 C ATOM 44 NH1 ARG A 3 7.681 -1.249 2.248 1.00 10.53 N ATOM 45 NH2 ARG A 3 5.788 0.043 2.364 1.00 34.11 N ATOM 0 HA ARG A 3 5.209 -3.315 -3.313 1.00 44.35 H new ATOM 0 HB2 ARG A 3 7.093 -2.170 -2.647 1.00 23.11 H new ATOM 0 HB3 ARG A 3 5.916 -1.454 -1.564 1.00 23.11 H new ATOM 0 HG2 ARG A 3 7.836 -3.709 -0.875 1.00 45.31 H new ATOM 0 HG3 ARG A 3 7.982 -2.038 -0.368 1.00 45.31 H new ATOM 0 HD2 ARG A 3 5.613 -3.821 0.319 1.00 22.25 H new ATOM 0 HD3 ARG A 3 6.995 -3.585 1.370 1.00 22.25 H new ATOM 0 HE ARG A 3 4.804 -1.707 0.895 1.00 21.45 H new ATOM 0 HH11 ARG A 3 8.167 -2.077 1.904 1.00 10.53 H new ATOM 0 HH12 ARG A 3 8.169 -0.584 2.848 1.00 10.53 H new ATOM 0 HH21 ARG A 3 4.815 0.210 2.109 1.00 34.11 H new ATOM 0 HH22 ARG A 3 6.279 0.705 2.964 1.00 34.11 H new ATOM 59 N GLY A 4 5.177 -5.614 -1.224 1.00 4.20 N ATOM 60 CA GLY A 4 5.593 -6.969 -0.915 1.00 63.41 C ATOM 61 C GLY A 4 4.436 -7.845 -0.476 1.00 4.11 C ATOM 62 O GLY A 4 3.944 -7.717 0.645 1.00 33.24 O ATOM 0 H GLY A 4 4.286 -5.335 -0.814 1.00 4.20 H new ATOM 0 HA2 GLY A 4 6.066 -7.410 -1.793 1.00 63.41 H new ATOM 0 HA3 GLY A 4 6.345 -6.944 -0.127 1.00 63.41 H new ATOM 66 N ILE A 5 4.001 -8.735 -1.361 1.00 52.01 N ATOM 67 CA ILE A 5 2.894 -9.634 -1.058 1.00 62.13 C ATOM 68 C ILE A 5 3.367 -10.834 -0.244 1.00 45.44 C ATOM 69 O ILE A 5 4.419 -11.410 -0.522 1.00 71.54 O ATOM 70 CB ILE A 5 2.210 -10.137 -2.343 1.00 62.41 C ATOM 71 CG1 ILE A 5 1.570 -8.970 -3.097 1.00 30.00 C ATOM 72 CG2 ILE A 5 1.168 -11.194 -2.009 1.00 62.51 C ATOM 73 CD1 ILE A 5 1.223 -9.296 -4.533 1.00 13.32 C ATOM 0 H ILE A 5 4.398 -8.853 -2.293 1.00 52.01 H new ATOM 0 HA ILE A 5 2.174 -9.062 -0.473 1.00 62.13 H new ATOM 0 HB ILE A 5 2.965 -10.589 -2.986 1.00 62.41 H new ATOM 0 HG12 ILE A 5 0.665 -8.663 -2.574 1.00 30.00 H new ATOM 0 HG13 ILE A 5 2.252 -8.120 -3.080 1.00 30.00 H new ATOM 0 HG21 ILE A 5 0.693 -11.540 -2.927 1.00 62.51 H new ATOM 0 HG22 ILE A 5 1.650 -12.035 -1.511 1.00 62.51 H new ATOM 0 HG23 ILE A 5 0.413 -10.765 -1.350 1.00 62.51 H new ATOM 0 HD11 ILE A 5 0.773 -8.423 -5.006 1.00 13.32 H new ATOM 0 HD12 ILE A 5 2.129 -9.574 -5.072 1.00 13.32 H new ATOM 0 HD13 ILE A 5 0.517 -10.126 -4.557 1.00 13.32 H new ATOM 85 N VAL A 6 2.583 -11.206 0.762 1.00 12.41 N ATOM 86 CA VAL A 6 2.920 -12.339 1.615 1.00 15.25 C ATOM 87 C VAL A 6 1.853 -13.425 1.532 1.00 24.43 C ATOM 88 O VAL A 6 0.679 -13.179 1.808 1.00 61.04 O ATOM 89 CB VAL A 6 3.082 -11.906 3.085 1.00 64.23 C ATOM 90 CG1 VAL A 6 3.662 -13.041 3.915 1.00 62.43 C ATOM 91 CG2 VAL A 6 3.956 -10.665 3.180 1.00 2.43 C ATOM 0 H VAL A 6 1.710 -10.739 1.006 1.00 12.41 H new ATOM 0 HA VAL A 6 3.869 -12.736 1.254 1.00 15.25 H new ATOM 0 HB VAL A 6 2.098 -11.662 3.485 1.00 64.23 H new ATOM 0 HG11 VAL A 6 3.769 -12.717 4.950 1.00 62.43 H new ATOM 0 HG12 VAL A 6 2.994 -13.902 3.872 1.00 62.43 H new ATOM 0 HG13 VAL A 6 4.639 -13.319 3.519 1.00 62.43 H new ATOM 0 HG21 VAL A 6 4.060 -10.373 4.225 1.00 2.43 H new ATOM 0 HG22 VAL A 6 4.940 -10.880 2.764 1.00 2.43 H new ATOM 0 HG23 VAL A 6 3.495 -9.852 2.620 1.00 2.43 H new ATOM 101 N TRP A 7 2.270 -14.627 1.152 1.00 64.34 N ATOM 102 CA TRP A 7 1.351 -15.753 1.033 1.00 55.05 C ATOM 103 C TRP A 7 1.569 -16.756 2.160 1.00 53.10 C ATOM 104 O TRP A 7 2.698 -16.980 2.595 1.00 44.40 O ATOM 105 CB TRP A 7 1.528 -16.442 -0.321 1.00 61.23 C ATOM 106 CG TRP A 7 1.037 -15.621 -1.475 1.00 33.21 C ATOM 107 CD1 TRP A 7 0.439 -14.395 -1.412 1.00 54.02 C ATOM 108 CD2 TRP A 7 1.100 -15.969 -2.862 1.00 53.54 C ATOM 109 NE1 TRP A 7 0.126 -13.959 -2.677 1.00 70.23 N ATOM 110 CE2 TRP A 7 0.522 -14.906 -3.585 1.00 1.15 C ATOM 111 CE3 TRP A 7 1.590 -17.072 -3.565 1.00 73.52 C ATOM 112 CZ2 TRP A 7 0.421 -14.918 -4.973 1.00 63.01 C ATOM 113 CZ3 TRP A 7 1.489 -17.083 -4.943 1.00 74.13 C ATOM 114 CH2 TRP A 7 0.909 -16.012 -5.636 1.00 10.44 C ATOM 0 H TRP A 7 3.239 -14.847 0.921 1.00 64.34 H new ATOM 0 HA TRP A 7 0.334 -15.368 1.107 1.00 55.05 H new ATOM 0 HB2 TRP A 7 2.584 -16.669 -0.469 1.00 61.23 H new ATOM 0 HB3 TRP A 7 0.996 -17.393 -0.309 1.00 61.23 H new ATOM 0 HD1 TRP A 7 0.241 -13.848 -0.502 1.00 54.02 H new ATOM 0 HE1 TRP A 7 -0.328 -13.074 -2.903 1.00 70.23 H new ATOM 0 HE3 TRP A 7 2.040 -17.902 -3.041 1.00 73.52 H new ATOM 0 HZ2 TRP A 7 -0.026 -14.094 -5.508 1.00 63.01 H new ATOM 0 HZ3 TRP A 7 1.864 -17.932 -5.496 1.00 74.13 H new ATOM 0 HH2 TRP A 7 0.846 -16.050 -6.713 1.00 10.44 H new ATOM 125 N VAL A 8 0.481 -17.358 2.630 1.00 54.03 N ATOM 126 CA VAL A 8 0.554 -18.339 3.706 1.00 11.42 C ATOM 127 C VAL A 8 -0.116 -19.647 3.304 1.00 74.41 C ATOM 128 O VAL A 8 -1.147 -19.648 2.630 1.00 22.42 O ATOM 129 CB VAL A 8 -0.108 -17.810 4.993 1.00 65.02 C ATOM 130 CG1 VAL A 8 0.189 -18.734 6.164 1.00 1.12 C ATOM 131 CG2 VAL A 8 0.361 -16.393 5.289 1.00 74.23 C ATOM 0 H VAL A 8 -0.462 -17.183 2.282 1.00 54.03 H new ATOM 0 HA VAL A 8 1.612 -18.520 3.898 1.00 11.42 H new ATOM 0 HB VAL A 8 -1.187 -17.787 4.843 1.00 65.02 H new ATOM 0 HG11 VAL A 8 -0.286 -18.345 7.064 1.00 1.12 H new ATOM 0 HG12 VAL A 8 -0.200 -19.729 5.950 1.00 1.12 H new ATOM 0 HG13 VAL A 8 1.267 -18.791 6.318 1.00 1.12 H new ATOM 0 HG21 VAL A 8 -0.116 -16.035 6.201 1.00 74.23 H new ATOM 0 HG22 VAL A 8 1.443 -16.388 5.420 1.00 74.23 H new ATOM 0 HG23 VAL A 8 0.093 -15.740 4.459 1.00 74.23 H new ATOM 141 N VAL A 9 0.475 -20.762 3.722 1.00 42.10 N ATOM 142 CA VAL A 9 -0.065 -22.079 3.407 1.00 53.11 C ATOM 143 C VAL A 9 0.047 -23.019 4.602 1.00 74.13 C ATOM 144 O VAL A 9 1.024 -23.756 4.735 1.00 33.14 O ATOM 145 CB VAL A 9 0.658 -22.709 2.202 1.00 25.11 C ATOM 146 CG1 VAL A 9 2.166 -22.655 2.397 1.00 41.14 C ATOM 147 CG2 VAL A 9 0.191 -24.141 1.990 1.00 61.12 C ATOM 0 H VAL A 9 1.329 -20.779 4.280 1.00 42.10 H new ATOM 0 HA VAL A 9 -1.116 -21.938 3.157 1.00 53.11 H new ATOM 0 HB VAL A 9 0.410 -22.134 1.310 1.00 25.11 H new ATOM 0 HG11 VAL A 9 2.661 -23.105 1.536 1.00 41.14 H new ATOM 0 HG12 VAL A 9 2.483 -21.617 2.496 1.00 41.14 H new ATOM 0 HG13 VAL A 9 2.436 -23.205 3.299 1.00 41.14 H new ATOM 0 HG21 VAL A 9 0.712 -24.571 1.135 1.00 61.12 H new ATOM 0 HG22 VAL A 9 0.408 -24.730 2.881 1.00 61.12 H new ATOM 0 HG23 VAL A 9 -0.883 -24.150 1.802 1.00 61.12 H new ATOM 157 N ASP A 10 -0.960 -22.988 5.468 1.00 72.52 N ATOM 158 CA ASP A 10 -0.976 -23.839 6.652 1.00 73.51 C ATOM 159 C ASP A 10 -2.254 -24.671 6.706 1.00 30.11 C ATOM 160 O ASP A 10 -3.315 -24.227 6.267 1.00 1.54 O ATOM 161 CB ASP A 10 -0.852 -22.990 7.918 1.00 25.50 C ATOM 162 CG ASP A 10 -0.624 -21.523 7.611 1.00 32.32 C ATOM 163 OD1 ASP A 10 -1.563 -20.870 7.110 1.00 10.05 O ATOM 164 OD2 ASP A 10 0.493 -21.029 7.871 1.00 51.41 O ATOM 0 H ASP A 10 -1.776 -22.383 5.372 1.00 72.52 H new ATOM 0 HA ASP A 10 -0.124 -24.517 6.593 1.00 73.51 H new ATOM 0 HB2 ASP A 10 -1.758 -23.097 8.514 1.00 25.50 H new ATOM 0 HB3 ASP A 10 -0.026 -23.364 8.523 1.00 25.50 H new ATOM 169 N ASP A 11 -2.144 -25.880 7.246 1.00 54.01 N ATOM 170 CA ASP A 11 -3.291 -26.774 7.357 1.00 21.34 C ATOM 171 C ASP A 11 -4.056 -26.518 8.652 1.00 51.10 C ATOM 172 O ASP A 11 -4.978 -27.257 8.996 1.00 34.13 O ATOM 173 CB ASP A 11 -2.834 -28.233 7.301 1.00 53.14 C ATOM 174 CG ASP A 11 -3.437 -28.983 6.129 1.00 44.12 C ATOM 175 OD1 ASP A 11 -3.268 -28.523 4.980 1.00 50.02 O ATOM 176 OD2 ASP A 11 -4.076 -30.030 6.361 1.00 63.25 O ATOM 0 H ASP A 11 -1.273 -26.263 7.613 1.00 54.01 H new ATOM 0 HA ASP A 11 -3.957 -26.577 6.517 1.00 21.34 H new ATOM 0 HB2 ASP A 11 -1.747 -28.268 7.231 1.00 53.14 H new ATOM 0 HB3 ASP A 11 -3.110 -28.733 8.229 1.00 53.14 H new ATOM 181 N ASP A 12 -3.666 -25.467 9.365 1.00 34.22 N ATOM 182 CA ASP A 12 -4.316 -25.113 10.622 1.00 25.02 C ATOM 183 C ASP A 12 -5.091 -23.806 10.484 1.00 22.52 C ATOM 184 O ASP A 12 -4.671 -22.896 9.769 1.00 22.55 O ATOM 185 CB ASP A 12 -3.278 -24.989 11.739 1.00 33.44 C ATOM 186 CG ASP A 12 -3.120 -26.275 12.528 1.00 55.23 C ATOM 187 OD1 ASP A 12 -2.854 -27.323 11.905 1.00 71.55 O ATOM 188 OD2 ASP A 12 -3.264 -26.232 13.768 1.00 73.23 O ATOM 0 H ASP A 12 -2.904 -24.846 9.094 1.00 34.22 H new ATOM 0 HA ASP A 12 -5.019 -25.906 10.875 1.00 25.02 H new ATOM 0 HB2 ASP A 12 -2.316 -24.710 11.308 1.00 33.44 H new ATOM 0 HB3 ASP A 12 -3.570 -24.185 12.415 1.00 33.44 H new ATOM 193 N SER A 13 -6.225 -23.722 11.172 1.00 1.31 N ATOM 194 CA SER A 13 -7.062 -22.528 11.122 1.00 23.55 C ATOM 195 C SER A 13 -6.450 -21.401 11.949 1.00 34.54 C ATOM 196 O SER A 13 -6.322 -20.271 11.479 1.00 21.14 O ATOM 197 CB SER A 13 -8.469 -22.845 11.632 1.00 21.15 C ATOM 198 OG SER A 13 -9.457 -22.286 10.784 1.00 44.00 O ATOM 0 H SER A 13 -6.585 -24.465 11.770 1.00 1.31 H new ATOM 0 HA SER A 13 -7.125 -22.201 10.084 1.00 23.55 H new ATOM 0 HB2 SER A 13 -8.604 -23.925 11.689 1.00 21.15 H new ATOM 0 HB3 SER A 13 -8.589 -22.455 12.643 1.00 21.15 H new ATOM 0 HG SER A 13 -10.347 -22.504 11.131 1.00 44.00 H new ATOM 204 N SER A 14 -6.075 -21.719 13.184 1.00 11.45 N ATOM 205 CA SER A 14 -5.481 -20.733 14.080 1.00 43.13 C ATOM 206 C SER A 14 -4.118 -20.282 13.563 1.00 41.10 C ATOM 207 O SER A 14 -3.610 -19.231 13.955 1.00 13.31 O ATOM 208 CB SER A 14 -5.338 -21.313 15.488 1.00 13.54 C ATOM 209 OG SER A 14 -5.434 -22.726 15.470 1.00 22.33 O ATOM 0 H SER A 14 -6.172 -22.651 13.587 1.00 11.45 H new ATOM 0 HA SER A 14 -6.142 -19.867 14.117 1.00 43.13 H new ATOM 0 HB2 SER A 14 -4.378 -21.016 15.911 1.00 13.54 H new ATOM 0 HB3 SER A 14 -6.113 -20.901 16.135 1.00 13.54 H new ATOM 0 HG SER A 14 -5.338 -23.072 16.382 1.00 22.33 H new ATOM 215 N ILE A 15 -3.531 -21.084 12.681 1.00 35.21 N ATOM 216 CA ILE A 15 -2.228 -20.768 12.110 1.00 55.15 C ATOM 217 C ILE A 15 -2.366 -19.835 10.911 1.00 63.42 C ATOM 218 O ILE A 15 -1.626 -18.859 10.783 1.00 72.52 O ATOM 219 CB ILE A 15 -1.481 -22.042 11.672 1.00 54.41 C ATOM 220 CG1 ILE A 15 -1.189 -22.929 12.883 1.00 32.44 C ATOM 221 CG2 ILE A 15 -0.192 -21.678 10.951 1.00 23.14 C ATOM 222 CD1 ILE A 15 -0.345 -22.251 13.940 1.00 75.20 C ATOM 0 H ILE A 15 -3.937 -21.958 12.346 1.00 35.21 H new ATOM 0 HA ILE A 15 -1.653 -20.270 12.891 1.00 55.15 H new ATOM 0 HB ILE A 15 -2.115 -22.599 10.982 1.00 54.41 H new ATOM 0 HG12 ILE A 15 -2.133 -23.243 13.329 1.00 32.44 H new ATOM 0 HG13 ILE A 15 -0.680 -23.832 12.547 1.00 32.44 H new ATOM 0 HG21 ILE A 15 0.325 -22.588 10.648 1.00 23.14 H new ATOM 0 HG22 ILE A 15 -0.425 -21.082 10.069 1.00 23.14 H new ATOM 0 HG23 ILE A 15 0.449 -21.103 11.619 1.00 23.14 H new ATOM 0 HD11 ILE A 15 -0.178 -22.939 14.769 1.00 75.20 H new ATOM 0 HD12 ILE A 15 0.614 -21.962 13.510 1.00 75.20 H new ATOM 0 HD13 ILE A 15 -0.862 -21.363 14.304 1.00 75.20 H new ATOM 234 N ARG A 16 -3.318 -20.142 10.036 1.00 40.32 N ATOM 235 CA ARG A 16 -3.553 -19.331 8.847 1.00 11.44 C ATOM 236 C ARG A 16 -4.360 -18.082 9.192 1.00 5.01 C ATOM 237 O ARG A 16 -4.272 -17.065 8.504 1.00 74.34 O ATOM 238 CB ARG A 16 -4.288 -20.148 7.783 1.00 12.14 C ATOM 239 CG ARG A 16 -5.766 -20.345 8.080 1.00 22.11 C ATOM 240 CD ARG A 16 -6.412 -21.296 7.085 1.00 63.22 C ATOM 241 NE ARG A 16 -7.402 -20.624 6.249 1.00 53.43 N ATOM 242 CZ ARG A 16 -8.345 -21.264 5.566 1.00 21.34 C ATOM 243 NH1 ARG A 16 -8.425 -22.587 5.621 1.00 2.45 N ATOM 244 NH2 ARG A 16 -9.211 -20.582 4.828 1.00 64.14 N ATOM 0 H ARG A 16 -3.939 -20.946 10.128 1.00 40.32 H new ATOM 0 HA ARG A 16 -2.585 -19.021 8.453 1.00 11.44 H new ATOM 0 HB2 ARG A 16 -4.183 -19.651 6.819 1.00 12.14 H new ATOM 0 HB3 ARG A 16 -3.811 -21.124 7.692 1.00 12.14 H new ATOM 0 HG2 ARG A 16 -5.886 -20.737 9.090 1.00 22.11 H new ATOM 0 HG3 ARG A 16 -6.276 -19.382 8.049 1.00 22.11 H new ATOM 0 HD2 ARG A 16 -5.642 -21.736 6.452 1.00 63.22 H new ATOM 0 HD3 ARG A 16 -6.888 -22.115 7.623 1.00 63.22 H new ATOM 0 HE ARG A 16 -7.368 -19.607 6.186 1.00 53.43 H new ATOM 0 HH11 ARG A 16 -7.762 -23.115 6.188 1.00 2.45 H new ATOM 0 HH12 ARG A 16 -9.150 -23.076 5.096 1.00 2.45 H new ATOM 0 HH21 ARG A 16 -9.154 -19.565 4.784 1.00 64.14 H new ATOM 0 HH22 ARG A 16 -9.934 -21.075 4.304 1.00 64.14 H new ATOM 258 N TRP A 17 -5.143 -18.167 10.261 1.00 54.03 N ATOM 259 CA TRP A 17 -5.966 -17.044 10.696 1.00 0.02 C ATOM 260 C TRP A 17 -5.097 -15.882 11.164 1.00 41.23 C ATOM 261 O TRP A 17 -5.073 -14.821 10.539 1.00 32.12 O ATOM 262 CB TRP A 17 -6.905 -17.480 11.822 1.00 13.30 C ATOM 263 CG TRP A 17 -7.457 -16.332 12.613 1.00 23.20 C ATOM 264 CD1 TRP A 17 -8.477 -15.501 12.249 1.00 50.25 C ATOM 265 CD2 TRP A 17 -7.016 -15.889 13.901 1.00 31.12 C ATOM 266 NE1 TRP A 17 -8.697 -14.567 13.233 1.00 72.44 N ATOM 267 CE2 TRP A 17 -7.815 -14.785 14.257 1.00 3.34 C ATOM 268 CE3 TRP A 17 -6.026 -16.319 14.789 1.00 14.22 C ATOM 269 CZ2 TRP A 17 -7.651 -14.106 15.462 1.00 33.11 C ATOM 270 CZ3 TRP A 17 -5.865 -15.644 15.984 1.00 33.13 C ATOM 271 CH2 TRP A 17 -6.675 -14.548 16.313 1.00 64.35 C ATOM 0 H TRP A 17 -5.226 -19.001 10.842 1.00 54.03 H new ATOM 0 HA TRP A 17 -6.560 -16.710 9.845 1.00 0.02 H new ATOM 0 HB2 TRP A 17 -7.731 -18.049 11.396 1.00 13.30 H new ATOM 0 HB3 TRP A 17 -6.369 -18.150 12.494 1.00 13.30 H new ATOM 0 HD1 TRP A 17 -9.030 -15.568 11.324 1.00 50.25 H new ATOM 0 HE1 TRP A 17 -9.403 -13.831 13.205 1.00 72.44 H new ATOM 0 HE3 TRP A 17 -5.398 -17.163 14.546 1.00 14.22 H new ATOM 0 HZ2 TRP A 17 -8.273 -13.260 15.716 1.00 33.11 H new ATOM 0 HZ3 TRP A 17 -5.102 -15.966 16.677 1.00 33.13 H new ATOM 0 HH2 TRP A 17 -6.526 -14.043 17.256 1.00 64.35 H new ATOM 282 N VAL A 18 -4.383 -16.088 12.266 1.00 11.00 N ATOM 283 CA VAL A 18 -3.511 -15.057 12.816 1.00 32.12 C ATOM 284 C VAL A 18 -2.619 -14.458 11.735 1.00 2.32 C ATOM 285 O VAL A 18 -2.515 -13.237 11.606 1.00 35.11 O ATOM 286 CB VAL A 18 -2.626 -15.615 13.946 1.00 22.22 C ATOM 287 CG1 VAL A 18 -1.983 -16.927 13.523 1.00 74.42 C ATOM 288 CG2 VAL A 18 -1.567 -14.598 14.345 1.00 72.12 C ATOM 0 H VAL A 18 -4.391 -16.960 12.796 1.00 11.00 H new ATOM 0 HA VAL A 18 -4.157 -14.279 13.222 1.00 32.12 H new ATOM 0 HB VAL A 18 -3.256 -15.810 14.814 1.00 22.22 H new ATOM 0 HG11 VAL A 18 -1.361 -17.306 14.334 1.00 74.42 H new ATOM 0 HG12 VAL A 18 -2.760 -17.655 13.291 1.00 74.42 H new ATOM 0 HG13 VAL A 18 -1.366 -16.762 12.640 1.00 74.42 H new ATOM 0 HG21 VAL A 18 -0.951 -15.009 15.145 1.00 72.12 H new ATOM 0 HG22 VAL A 18 -0.939 -14.370 13.484 1.00 72.12 H new ATOM 0 HG23 VAL A 18 -2.051 -13.686 14.693 1.00 72.12 H new ATOM 298 N LEU A 19 -1.976 -15.324 10.960 1.00 44.53 N ATOM 299 CA LEU A 19 -1.091 -14.880 9.888 1.00 72.24 C ATOM 300 C LEU A 19 -1.833 -13.975 8.909 1.00 62.30 C ATOM 301 O LEU A 19 -1.221 -13.168 8.210 1.00 20.22 O ATOM 302 CB LEU A 19 -0.512 -16.086 9.146 1.00 21.21 C ATOM 303 CG LEU A 19 0.604 -16.844 9.866 1.00 21.10 C ATOM 304 CD1 LEU A 19 0.797 -18.221 9.250 1.00 25.23 C ATOM 305 CD2 LEU A 19 1.902 -16.051 9.822 1.00 61.03 C ATOM 0 H LEU A 19 -2.050 -16.337 11.053 1.00 44.53 H new ATOM 0 HA LEU A 19 -0.276 -14.310 10.335 1.00 72.24 H new ATOM 0 HB2 LEU A 19 -1.323 -16.784 8.939 1.00 21.21 H new ATOM 0 HB3 LEU A 19 -0.131 -15.746 8.183 1.00 21.21 H new ATOM 0 HG LEU A 19 0.316 -16.972 10.909 1.00 21.10 H new ATOM 0 HD11 LEU A 19 1.595 -18.746 9.775 1.00 25.23 H new ATOM 0 HD12 LEU A 19 -0.129 -18.790 9.334 1.00 25.23 H new ATOM 0 HD13 LEU A 19 1.063 -18.115 8.198 1.00 25.23 H new ATOM 0 HD21 LEU A 19 2.685 -16.606 10.339 1.00 61.03 H new ATOM 0 HD22 LEU A 19 2.196 -15.891 8.785 1.00 61.03 H new ATOM 0 HD23 LEU A 19 1.757 -15.088 10.311 1.00 61.03 H new ATOM 317 N GLU A 20 -3.154 -14.115 8.867 1.00 72.03 N ATOM 318 CA GLU A 20 -3.979 -13.309 7.974 1.00 3.44 C ATOM 319 C GLU A 20 -4.251 -11.934 8.579 1.00 64.02 C ATOM 320 O GLU A 20 -4.278 -10.927 7.871 1.00 74.44 O ATOM 321 CB GLU A 20 -5.301 -14.021 7.684 1.00 55.34 C ATOM 322 CG GLU A 20 -5.773 -13.865 6.248 1.00 74.43 C ATOM 323 CD GLU A 20 -7.131 -13.197 6.149 1.00 43.52 C ATOM 324 OE1 GLU A 20 -7.365 -12.217 6.887 1.00 35.43 O ATOM 325 OE2 GLU A 20 -7.958 -13.653 5.332 1.00 11.21 O ATOM 0 H GLU A 20 -3.676 -14.778 9.440 1.00 72.03 H new ATOM 0 HA GLU A 20 -3.434 -13.175 7.039 1.00 3.44 H new ATOM 0 HB2 GLU A 20 -5.190 -15.082 7.908 1.00 55.34 H new ATOM 0 HB3 GLU A 20 -6.068 -13.633 8.354 1.00 55.34 H new ATOM 0 HG2 GLU A 20 -5.042 -13.278 5.691 1.00 74.43 H new ATOM 0 HG3 GLU A 20 -5.820 -14.847 5.776 1.00 74.43 H new ATOM 332 N ARG A 21 -4.451 -11.901 9.892 1.00 0.22 N ATOM 333 CA ARG A 21 -4.722 -10.651 10.592 1.00 35.12 C ATOM 334 C ARG A 21 -3.576 -9.662 10.404 1.00 61.22 C ATOM 335 O ARG A 21 -3.798 -8.488 10.110 1.00 62.04 O ATOM 336 CB ARG A 21 -4.943 -10.914 12.083 1.00 72.40 C ATOM 337 CG ARG A 21 -5.896 -12.065 12.364 1.00 54.43 C ATOM 338 CD ARG A 21 -7.223 -11.877 11.644 1.00 21.12 C ATOM 339 NE ARG A 21 -7.743 -10.521 11.799 1.00 65.01 N ATOM 340 CZ ARG A 21 -8.679 -9.999 11.015 1.00 71.02 C ATOM 341 NH1 ARG A 21 -9.196 -10.716 10.027 1.00 54.03 N ATOM 342 NH2 ARG A 21 -9.101 -8.757 11.219 1.00 64.52 N ATOM 0 H ARG A 21 -4.431 -12.725 10.493 1.00 0.22 H new ATOM 0 HA ARG A 21 -5.627 -10.216 10.168 1.00 35.12 H new ATOM 0 HB2 ARG A 21 -3.982 -11.126 12.552 1.00 72.40 H new ATOM 0 HB3 ARG A 21 -5.332 -10.009 12.549 1.00 72.40 H new ATOM 0 HG2 ARG A 21 -5.439 -13.003 12.048 1.00 54.43 H new ATOM 0 HG3 ARG A 21 -6.070 -12.141 13.437 1.00 54.43 H new ATOM 0 HD2 ARG A 21 -7.095 -12.097 10.584 1.00 21.12 H new ATOM 0 HD3 ARG A 21 -7.950 -12.591 12.032 1.00 21.12 H new ATOM 0 HE ARG A 21 -7.367 -9.943 12.551 1.00 65.01 H new ATOM 0 HH11 ARG A 21 -8.875 -11.671 9.868 1.00 54.03 H new ATOM 0 HH12 ARG A 21 -9.915 -10.313 9.426 1.00 54.03 H new ATOM 0 HH21 ARG A 21 -8.706 -8.203 11.979 1.00 64.52 H new ATOM 0 HH22 ARG A 21 -9.820 -8.357 10.616 1.00 64.52 H new ATOM 356 N ALA A 22 -2.350 -10.146 10.576 1.00 40.31 N ATOM 357 CA ALA A 22 -1.169 -9.305 10.423 1.00 21.24 C ATOM 358 C ALA A 22 -1.200 -8.550 9.099 1.00 0.21 C ATOM 359 O ALA A 22 -1.207 -7.318 9.075 1.00 71.20 O ATOM 360 CB ALA A 22 0.095 -10.147 10.523 1.00 35.14 C ATOM 0 H ALA A 22 -2.149 -11.115 10.821 1.00 40.31 H new ATOM 0 HA ALA A 22 -1.169 -8.572 11.229 1.00 21.24 H new ATOM 0 HB1 ALA A 22 0.969 -9.506 10.407 1.00 35.14 H new ATOM 0 HB2 ALA A 22 0.130 -10.636 11.496 1.00 35.14 H new ATOM 0 HB3 ALA A 22 0.092 -10.902 9.737 1.00 35.14 H new ATOM 366 N LEU A 23 -1.218 -9.294 7.999 1.00 24.30 N ATOM 367 CA LEU A 23 -1.247 -8.694 6.670 1.00 72.44 C ATOM 368 C LEU A 23 -2.534 -7.904 6.457 1.00 34.23 C ATOM 369 O LEU A 23 -2.509 -6.778 5.961 1.00 25.24 O ATOM 370 CB LEU A 23 -1.117 -9.777 5.597 1.00 73.30 C ATOM 371 CG LEU A 23 -0.012 -10.811 5.817 1.00 11.10 C ATOM 372 CD1 LEU A 23 -0.086 -11.904 4.762 1.00 4.30 C ATOM 373 CD2 LEU A 23 1.355 -10.142 5.800 1.00 34.05 C ATOM 0 H LEU A 23 -1.213 -10.314 8.001 1.00 24.30 H new ATOM 0 HA LEU A 23 -0.404 -8.008 6.590 1.00 72.44 H new ATOM 0 HB2 LEU A 23 -2.069 -10.303 5.522 1.00 73.30 H new ATOM 0 HB3 LEU A 23 -0.946 -9.290 4.637 1.00 73.30 H new ATOM 0 HG LEU A 23 -0.158 -11.269 6.795 1.00 11.10 H new ATOM 0 HD11 LEU A 23 0.708 -12.631 4.935 1.00 4.30 H new ATOM 0 HD12 LEU A 23 -1.053 -12.403 4.822 1.00 4.30 H new ATOM 0 HD13 LEU A 23 0.034 -11.463 3.772 1.00 4.30 H new ATOM 0 HD21 LEU A 23 2.129 -10.893 5.958 1.00 34.05 H new ATOM 0 HD22 LEU A 23 1.511 -9.657 4.836 1.00 34.05 H new ATOM 0 HD23 LEU A 23 1.405 -9.396 6.594 1.00 34.05 H new ATOM 385 N ALA A 24 -3.659 -8.501 6.838 1.00 20.41 N ATOM 386 CA ALA A 24 -4.956 -7.852 6.693 1.00 2.24 C ATOM 387 C ALA A 24 -4.932 -6.443 7.278 1.00 75.44 C ATOM 388 O ALA A 24 -5.578 -5.534 6.758 1.00 71.44 O ATOM 389 CB ALA A 24 -6.040 -8.684 7.361 1.00 74.31 C ATOM 0 H ALA A 24 -3.698 -9.433 7.250 1.00 20.41 H new ATOM 0 HA ALA A 24 -5.179 -7.773 5.629 1.00 2.24 H new ATOM 0 HB1 ALA A 24 -7.003 -8.187 7.245 1.00 74.31 H new ATOM 0 HB2 ALA A 24 -6.081 -9.669 6.896 1.00 74.31 H new ATOM 0 HB3 ALA A 24 -5.813 -8.793 8.422 1.00 74.31 H new ATOM 395 N GLY A 25 -4.184 -6.270 8.363 1.00 52.01 N ATOM 396 CA GLY A 25 -4.092 -4.969 9.000 1.00 22.42 C ATOM 397 C GLY A 25 -3.018 -4.096 8.382 1.00 20.05 C ATOM 398 O GLY A 25 -3.045 -2.874 8.524 1.00 0.12 O ATOM 0 H GLY A 25 -3.640 -7.007 8.812 1.00 52.01 H new ATOM 0 HA2 GLY A 25 -5.054 -4.463 8.926 1.00 22.42 H new ATOM 0 HA3 GLY A 25 -3.882 -5.101 10.061 1.00 22.42 H new ATOM 402 N ALA A 26 -2.069 -4.724 7.696 1.00 23.14 N ATOM 403 CA ALA A 26 -0.981 -3.996 7.055 1.00 52.03 C ATOM 404 C ALA A 26 -1.305 -3.701 5.594 1.00 64.31 C ATOM 405 O ALA A 26 -2.352 -4.101 5.087 1.00 0.21 O ATOM 406 CB ALA A 26 0.316 -4.783 7.162 1.00 64.34 C ATOM 0 H ALA A 26 -2.032 -5.735 7.570 1.00 23.14 H new ATOM 0 HA ALA A 26 -0.858 -3.044 7.572 1.00 52.03 H new ATOM 0 HB1 ALA A 26 1.120 -4.227 6.679 1.00 64.34 H new ATOM 0 HB2 ALA A 26 0.562 -4.938 8.213 1.00 64.34 H new ATOM 0 HB3 ALA A 26 0.197 -5.749 6.671 1.00 64.34 H new ATOM 412 N GLY A 27 -0.398 -2.999 4.922 1.00 43.43 N ATOM 413 CA GLY A 27 -0.606 -2.662 3.526 1.00 41.24 C ATOM 414 C GLY A 27 -0.026 -3.700 2.586 1.00 61.21 C ATOM 415 O GLY A 27 0.598 -3.359 1.580 1.00 4.24 O ATOM 0 H GLY A 27 0.477 -2.658 5.319 1.00 43.43 H new ATOM 0 HA2 GLY A 27 -1.674 -2.560 3.335 1.00 41.24 H new ATOM 0 HA3 GLY A 27 -0.151 -1.693 3.318 1.00 41.24 H new ATOM 419 N LEU A 28 -0.230 -4.971 2.913 1.00 20.41 N ATOM 420 CA LEU A 28 0.279 -6.064 2.091 1.00 31.13 C ATOM 421 C LEU A 28 -0.802 -7.113 1.850 1.00 50.23 C ATOM 422 O LEU A 28 -1.535 -7.487 2.765 1.00 34.44 O ATOM 423 CB LEU A 28 1.492 -6.711 2.762 1.00 0.33 C ATOM 424 CG LEU A 28 2.133 -5.915 3.900 1.00 21.30 C ATOM 425 CD1 LEU A 28 3.141 -6.773 4.650 1.00 75.34 C ATOM 426 CD2 LEU A 28 2.798 -4.656 3.362 1.00 35.33 C ATOM 0 H LEU A 28 -0.744 -5.271 3.741 1.00 20.41 H new ATOM 0 HA LEU A 28 0.581 -5.652 1.128 1.00 31.13 H new ATOM 0 HB2 LEU A 28 1.191 -7.684 3.150 1.00 0.33 H new ATOM 0 HB3 LEU A 28 2.250 -6.892 2.000 1.00 0.33 H new ATOM 0 HG LEU A 28 1.349 -5.619 4.597 1.00 21.30 H new ATOM 0 HD11 LEU A 28 3.587 -6.190 5.456 1.00 75.34 H new ATOM 0 HD12 LEU A 28 2.637 -7.644 5.068 1.00 75.34 H new ATOM 0 HD13 LEU A 28 3.922 -7.100 3.964 1.00 75.34 H new ATOM 0 HD21 LEU A 28 3.249 -4.102 4.186 1.00 35.33 H new ATOM 0 HD22 LEU A 28 3.571 -4.931 2.644 1.00 35.33 H new ATOM 0 HD23 LEU A 28 2.052 -4.032 2.871 1.00 35.33 H new ATOM 438 N THR A 29 -0.894 -7.586 0.611 1.00 54.44 N ATOM 439 CA THR A 29 -1.884 -8.592 0.248 1.00 14.13 C ATOM 440 C THR A 29 -1.832 -9.782 1.200 1.00 53.14 C ATOM 441 O THR A 29 -0.826 -10.006 1.874 1.00 72.12 O ATOM 442 CB THR A 29 -1.675 -9.092 -1.193 1.00 73.25 C ATOM 443 OG1 THR A 29 -1.439 -7.983 -2.068 1.00 11.25 O ATOM 444 CG2 THR A 29 -2.887 -9.875 -1.676 1.00 31.34 C ATOM 0 H THR A 29 -0.294 -7.288 -0.158 1.00 54.44 H new ATOM 0 HA THR A 29 -2.861 -8.115 0.320 1.00 14.13 H new ATOM 0 HB THR A 29 -0.808 -9.752 -1.202 1.00 73.25 H new ATOM 0 HG1 THR A 29 -1.464 -8.289 -2.999 1.00 11.25 H new ATOM 0 HG21 THR A 29 -2.716 -10.218 -2.696 1.00 31.34 H new ATOM 0 HG22 THR A 29 -3.047 -10.735 -1.026 1.00 31.34 H new ATOM 0 HG23 THR A 29 -3.768 -9.233 -1.652 1.00 31.34 H new ATOM 452 N CYS A 30 -2.921 -10.542 1.249 1.00 44.21 N ATOM 453 CA CYS A 30 -2.999 -11.710 2.119 1.00 64.13 C ATOM 454 C CYS A 30 -3.642 -12.887 1.392 1.00 4.11 C ATOM 455 O CYS A 30 -4.825 -12.851 1.054 1.00 52.23 O ATOM 456 CB CYS A 30 -3.794 -11.379 3.382 1.00 12.02 C ATOM 457 SG CYS A 30 -5.385 -10.580 3.065 1.00 44.32 S ATOM 0 H CYS A 30 -3.761 -10.370 0.697 1.00 44.21 H new ATOM 0 HA CYS A 30 -1.984 -11.991 2.401 1.00 64.13 H new ATOM 0 HB2 CYS A 30 -3.966 -12.299 3.941 1.00 12.02 H new ATOM 0 HB3 CYS A 30 -3.193 -10.728 4.017 1.00 12.02 H new ATOM 0 HG CYS A 30 -5.966 -11.156 2.055 1.00 44.32 H new ATOM 463 N THR A 31 -2.853 -13.930 1.153 1.00 33.50 N ATOM 464 CA THR A 31 -3.344 -15.117 0.464 1.00 71.11 C ATOM 465 C THR A 31 -3.070 -16.378 1.276 1.00 3.42 C ATOM 466 O THR A 31 -1.919 -16.786 1.440 1.00 54.13 O ATOM 467 CB THR A 31 -2.699 -15.266 -0.927 1.00 74.01 C ATOM 468 OG1 THR A 31 -2.669 -13.998 -1.591 1.00 54.14 O ATOM 469 CG2 THR A 31 -3.466 -16.270 -1.774 1.00 75.03 C ATOM 0 H THR A 31 -1.871 -13.977 1.426 1.00 33.50 H new ATOM 0 HA THR A 31 -4.420 -14.991 0.346 1.00 71.11 H new ATOM 0 HB THR A 31 -1.680 -15.630 -0.794 1.00 74.01 H new ATOM 0 HG1 THR A 31 -1.752 -13.797 -1.871 1.00 54.14 H new ATOM 0 HG21 THR A 31 -2.992 -16.359 -2.752 1.00 75.03 H new ATOM 0 HG22 THR A 31 -3.462 -17.241 -1.280 1.00 75.03 H new ATOM 0 HG23 THR A 31 -4.494 -15.931 -1.899 1.00 75.03 H new ATOM 477 N THR A 32 -4.134 -16.992 1.784 1.00 24.20 N ATOM 478 CA THR A 32 -4.007 -18.207 2.580 1.00 52.50 C ATOM 479 C THR A 32 -4.412 -19.436 1.775 1.00 63.20 C ATOM 480 O THR A 32 -5.446 -19.441 1.108 1.00 55.02 O ATOM 481 CB THR A 32 -4.869 -18.135 3.855 1.00 72.04 C ATOM 482 OG1 THR A 32 -6.249 -18.333 3.525 1.00 44.41 O ATOM 483 CG2 THR A 32 -4.696 -16.793 4.550 1.00 20.44 C ATOM 0 H THR A 32 -5.093 -16.668 1.659 1.00 24.20 H new ATOM 0 HA THR A 32 -2.958 -18.292 2.864 1.00 52.50 H new ATOM 0 HB THR A 32 -4.541 -18.922 4.534 1.00 72.04 H new ATOM 0 HG1 THR A 32 -6.790 -18.288 4.341 1.00 44.41 H new ATOM 0 HG21 THR A 32 -5.314 -16.766 5.447 1.00 20.44 H new ATOM 0 HG22 THR A 32 -3.650 -16.658 4.826 1.00 20.44 H new ATOM 0 HG23 THR A 32 -5.000 -15.992 3.876 1.00 20.44 H new ATOM 491 N PHE A 33 -3.590 -20.478 1.842 1.00 21.32 N ATOM 492 CA PHE A 33 -3.862 -21.715 1.119 1.00 55.22 C ATOM 493 C PHE A 33 -4.008 -22.888 2.083 1.00 31.32 C ATOM 494 O PHE A 33 -4.047 -22.704 3.299 1.00 12.01 O ATOM 495 CB PHE A 33 -2.743 -22.001 0.115 1.00 15.32 C ATOM 496 CG PHE A 33 -2.620 -20.957 -0.958 1.00 23.11 C ATOM 497 CD1 PHE A 33 -3.372 -21.044 -2.118 1.00 35.42 C ATOM 498 CD2 PHE A 33 -1.750 -19.889 -0.807 1.00 30.00 C ATOM 499 CE1 PHE A 33 -3.261 -20.086 -3.107 1.00 53.42 C ATOM 500 CE2 PHE A 33 -1.635 -18.927 -1.793 1.00 21.04 C ATOM 501 CZ PHE A 33 -2.390 -19.026 -2.945 1.00 35.04 C ATOM 0 H PHE A 33 -2.730 -20.490 2.390 1.00 21.32 H new ATOM 0 HA PHE A 33 -4.801 -21.592 0.580 1.00 55.22 H new ATOM 0 HB2 PHE A 33 -1.796 -22.075 0.650 1.00 15.32 H new ATOM 0 HB3 PHE A 33 -2.922 -22.970 -0.351 1.00 15.32 H new ATOM 0 HD1 PHE A 33 -4.054 -21.871 -2.251 1.00 35.42 H new ATOM 0 HD2 PHE A 33 -1.155 -19.807 0.091 1.00 30.00 H new ATOM 0 HE1 PHE A 33 -3.854 -20.166 -4.006 1.00 53.42 H new ATOM 0 HE2 PHE A 33 -0.955 -18.098 -1.662 1.00 21.04 H new ATOM 0 HZ PHE A 33 -2.300 -18.277 -3.717 1.00 35.04 H new ATOM 511 N GLU A 34 -4.088 -24.095 1.530 1.00 13.42 N ATOM 512 CA GLU A 34 -4.231 -25.298 2.341 1.00 12.02 C ATOM 513 C GLU A 34 -3.226 -26.364 1.915 1.00 41.12 C ATOM 514 O GLU A 34 -2.670 -27.077 2.749 1.00 33.11 O ATOM 515 CB GLU A 34 -5.654 -25.849 2.229 1.00 31.42 C ATOM 516 CG GLU A 34 -6.039 -26.259 0.817 1.00 1.44 C ATOM 517 CD GLU A 34 -7.510 -26.033 0.525 1.00 45.31 C ATOM 518 OE1 GLU A 34 -8.341 -26.822 1.019 1.00 14.23 O ATOM 519 OE2 GLU A 34 -7.828 -25.066 -0.199 1.00 12.13 O ATOM 0 H GLU A 34 -4.056 -24.265 0.525 1.00 13.42 H new ATOM 0 HA GLU A 34 -4.033 -25.031 3.379 1.00 12.02 H new ATOM 0 HB2 GLU A 34 -5.754 -26.711 2.888 1.00 31.42 H new ATOM 0 HB3 GLU A 34 -6.356 -25.094 2.583 1.00 31.42 H new ATOM 0 HG2 GLU A 34 -5.440 -25.695 0.103 1.00 1.44 H new ATOM 0 HG3 GLU A 34 -5.801 -27.313 0.671 1.00 1.44 H new ATOM 526 N ASN A 35 -2.998 -26.466 0.609 1.00 14.13 N ATOM 527 CA ASN A 35 -2.061 -27.445 0.071 1.00 72.11 C ATOM 528 C ASN A 35 -0.802 -26.762 -0.454 1.00 53.23 C ATOM 529 O ASN A 35 -0.877 -25.832 -1.257 1.00 23.23 O ATOM 530 CB ASN A 35 -2.722 -28.252 -1.049 1.00 22.24 C ATOM 531 CG ASN A 35 -3.394 -29.511 -0.535 1.00 14.53 C ATOM 532 OD1 ASN A 35 -3.302 -29.838 0.648 1.00 22.43 O ATOM 533 ND2 ASN A 35 -4.076 -30.222 -1.425 1.00 31.44 N ATOM 0 H ASN A 35 -3.449 -25.883 -0.096 1.00 14.13 H new ATOM 0 HA ASN A 35 -1.777 -28.121 0.878 1.00 72.11 H new ATOM 0 HB2 ASN A 35 -3.460 -27.630 -1.554 1.00 22.24 H new ATOM 0 HB3 ASN A 35 -1.971 -28.522 -1.791 1.00 22.24 H new ATOM 0 HD21 ASN A 35 -4.551 -31.078 -1.138 1.00 31.44 H new ATOM 0 HD22 ASN A 35 -4.125 -29.912 -2.396 1.00 31.44 H new ATOM 540 N GLY A 36 0.354 -27.230 0.005 1.00 63.43 N ATOM 541 CA GLY A 36 1.613 -26.654 -0.430 1.00 2.43 C ATOM 542 C GLY A 36 1.777 -26.688 -1.936 1.00 44.22 C ATOM 543 O GLY A 36 2.557 -25.921 -2.500 1.00 12.13 O ATOM 0 H GLY A 36 0.441 -27.998 0.671 1.00 63.43 H new ATOM 0 HA2 GLY A 36 1.676 -25.622 -0.084 1.00 2.43 H new ATOM 0 HA3 GLY A 36 2.437 -27.196 0.034 1.00 2.43 H new ATOM 547 N ASN A 37 1.042 -27.581 -2.590 1.00 31.31 N ATOM 548 CA ASN A 37 1.112 -27.714 -4.041 1.00 35.14 C ATOM 549 C ASN A 37 0.282 -26.633 -4.726 1.00 53.03 C ATOM 550 O ASN A 37 0.709 -26.047 -5.721 1.00 15.04 O ATOM 551 CB ASN A 37 0.622 -29.098 -4.471 1.00 32.31 C ATOM 552 CG ASN A 37 0.421 -29.200 -5.971 1.00 22.24 C ATOM 553 OD1 ASN A 37 -0.702 -29.358 -6.448 1.00 54.45 O ATOM 554 ND2 ASN A 37 1.513 -29.111 -6.721 1.00 2.11 N ATOM 0 H ASN A 37 0.391 -28.223 -2.139 1.00 31.31 H new ATOM 0 HA ASN A 37 2.153 -27.594 -4.343 1.00 35.14 H new ATOM 0 HB2 ASN A 37 1.343 -29.851 -4.152 1.00 32.31 H new ATOM 0 HB3 ASN A 37 -0.317 -29.321 -3.965 1.00 32.31 H new ATOM 0 HD21 ASN A 37 1.441 -29.174 -7.737 1.00 2.11 H new ATOM 0 HD22 ASN A 37 2.424 -28.980 -6.282 1.00 2.11 H new ATOM 561 N GLU A 38 -0.906 -26.375 -4.187 1.00 5.51 N ATOM 562 CA GLU A 38 -1.795 -25.364 -4.747 1.00 42.04 C ATOM 563 C GLU A 38 -1.139 -23.986 -4.720 1.00 21.43 C ATOM 564 O GLU A 38 -1.543 -23.079 -5.447 1.00 72.10 O ATOM 565 CB GLU A 38 -3.114 -25.328 -3.974 1.00 34.23 C ATOM 566 CG GLU A 38 -4.342 -25.256 -4.867 1.00 23.04 C ATOM 567 CD GLU A 38 -5.355 -26.340 -4.554 1.00 51.11 C ATOM 568 OE1 GLU A 38 -4.989 -27.532 -4.626 1.00 0.12 O ATOM 569 OE2 GLU A 38 -6.513 -25.997 -4.238 1.00 54.24 O ATOM 0 H GLU A 38 -1.274 -26.852 -3.364 1.00 5.51 H new ATOM 0 HA GLU A 38 -1.997 -25.630 -5.784 1.00 42.04 H new ATOM 0 HB2 GLU A 38 -3.183 -26.217 -3.348 1.00 34.23 H new ATOM 0 HB3 GLU A 38 -3.110 -24.467 -3.306 1.00 34.23 H new ATOM 0 HG2 GLU A 38 -4.813 -24.280 -4.753 1.00 23.04 H new ATOM 0 HG3 GLU A 38 -4.034 -25.341 -5.909 1.00 23.04 H new ATOM 576 N VAL A 39 -0.124 -23.838 -3.874 1.00 41.43 N ATOM 577 CA VAL A 39 0.589 -22.572 -3.751 1.00 41.21 C ATOM 578 C VAL A 39 1.753 -22.499 -4.733 1.00 1.00 C ATOM 579 O VAL A 39 2.024 -21.448 -5.315 1.00 4.45 O ATOM 580 CB VAL A 39 1.124 -22.366 -2.322 1.00 0.25 C ATOM 581 CG1 VAL A 39 1.639 -20.946 -2.143 1.00 53.43 C ATOM 582 CG2 VAL A 39 0.044 -22.683 -1.298 1.00 51.52 C ATOM 0 H VAL A 39 0.223 -24.579 -3.264 1.00 41.43 H new ATOM 0 HA VAL A 39 -0.126 -21.782 -3.981 1.00 41.21 H new ATOM 0 HB VAL A 39 1.957 -23.051 -2.163 1.00 0.25 H new ATOM 0 HG11 VAL A 39 2.013 -20.820 -1.127 1.00 53.43 H new ATOM 0 HG12 VAL A 39 2.445 -20.759 -2.852 1.00 53.43 H new ATOM 0 HG13 VAL A 39 0.828 -20.240 -2.322 1.00 53.43 H new ATOM 0 HG21 VAL A 39 0.439 -22.532 -0.294 1.00 51.52 H new ATOM 0 HG22 VAL A 39 -0.810 -22.024 -1.454 1.00 51.52 H new ATOM 0 HG23 VAL A 39 -0.272 -23.720 -1.412 1.00 51.52 H new ATOM 592 N LEU A 40 2.438 -23.623 -4.914 1.00 3.42 N ATOM 593 CA LEU A 40 3.574 -23.687 -5.827 1.00 24.43 C ATOM 594 C LEU A 40 3.208 -23.118 -7.193 1.00 50.34 C ATOM 595 O LEU A 40 3.981 -22.372 -7.794 1.00 23.14 O ATOM 596 CB LEU A 40 4.052 -25.133 -5.975 1.00 45.24 C ATOM 597 CG LEU A 40 4.674 -25.499 -7.324 1.00 14.11 C ATOM 598 CD1 LEU A 40 5.850 -24.586 -7.635 1.00 73.32 C ATOM 599 CD2 LEU A 40 5.111 -26.957 -7.332 1.00 14.54 C ATOM 0 H LEU A 40 2.227 -24.502 -4.441 1.00 3.42 H new ATOM 0 HA LEU A 40 4.380 -23.085 -5.408 1.00 24.43 H new ATOM 0 HB2 LEU A 40 4.784 -25.335 -5.193 1.00 45.24 H new ATOM 0 HB3 LEU A 40 3.205 -25.795 -5.796 1.00 45.24 H new ATOM 0 HG LEU A 40 3.920 -25.362 -8.099 1.00 14.11 H new ATOM 0 HD11 LEU A 40 6.280 -24.861 -8.598 1.00 73.32 H new ATOM 0 HD12 LEU A 40 5.508 -23.552 -7.673 1.00 73.32 H new ATOM 0 HD13 LEU A 40 6.607 -24.690 -6.857 1.00 73.32 H new ATOM 0 HD21 LEU A 40 5.551 -27.200 -8.299 1.00 14.54 H new ATOM 0 HD22 LEU A 40 5.849 -27.120 -6.546 1.00 14.54 H new ATOM 0 HD23 LEU A 40 4.246 -27.597 -7.156 1.00 14.54 H new ATOM 611 N ALA A 41 2.023 -23.473 -7.678 1.00 54.22 N ATOM 612 CA ALA A 41 1.552 -22.994 -8.972 1.00 13.43 C ATOM 613 C ALA A 41 1.145 -21.526 -8.899 1.00 11.25 C ATOM 614 O ALA A 41 1.210 -20.804 -9.893 1.00 3.42 O ATOM 615 CB ALA A 41 0.386 -23.843 -9.457 1.00 11.34 C ATOM 0 H ALA A 41 1.371 -24.091 -7.194 1.00 54.22 H new ATOM 0 HA ALA A 41 2.372 -23.082 -9.684 1.00 13.43 H new ATOM 0 HB1 ALA A 41 0.045 -23.474 -10.424 1.00 11.34 H new ATOM 0 HB2 ALA A 41 0.708 -24.880 -9.557 1.00 11.34 H new ATOM 0 HB3 ALA A 41 -0.431 -23.784 -8.738 1.00 11.34 H new ATOM 621 N ALA A 42 0.724 -21.091 -7.715 1.00 64.30 N ATOM 622 CA ALA A 42 0.308 -19.709 -7.512 1.00 63.24 C ATOM 623 C ALA A 42 1.459 -18.745 -7.780 1.00 52.30 C ATOM 624 O ALA A 42 1.254 -17.646 -8.299 1.00 31.41 O ATOM 625 CB ALA A 42 -0.224 -19.520 -6.100 1.00 2.14 C ATOM 0 H ALA A 42 0.662 -21.676 -6.882 1.00 64.30 H new ATOM 0 HA ALA A 42 -0.490 -19.487 -8.221 1.00 63.24 H new ATOM 0 HB1 ALA A 42 -0.531 -18.483 -5.963 1.00 2.14 H new ATOM 0 HB2 ALA A 42 -1.080 -20.176 -5.943 1.00 2.14 H new ATOM 0 HB3 ALA A 42 0.558 -19.765 -5.381 1.00 2.14 H new ATOM 631 N LEU A 43 2.669 -19.161 -7.423 1.00 14.24 N ATOM 632 CA LEU A 43 3.853 -18.333 -7.624 1.00 12.12 C ATOM 633 C LEU A 43 4.047 -18.010 -9.102 1.00 20.21 C ATOM 634 O LEU A 43 4.462 -16.907 -9.457 1.00 73.53 O ATOM 635 CB LEU A 43 5.093 -19.042 -7.077 1.00 45.54 C ATOM 636 CG LEU A 43 4.903 -19.820 -5.775 1.00 71.23 C ATOM 637 CD1 LEU A 43 6.249 -20.184 -5.169 1.00 3.11 C ATOM 638 CD2 LEU A 43 4.072 -19.013 -4.788 1.00 72.53 C ATOM 0 H LEU A 43 2.856 -20.067 -6.993 1.00 14.24 H new ATOM 0 HA LEU A 43 3.709 -17.398 -7.083 1.00 12.12 H new ATOM 0 HB2 LEU A 43 5.458 -19.731 -7.838 1.00 45.54 H new ATOM 0 HB3 LEU A 43 5.873 -18.297 -6.921 1.00 45.54 H new ATOM 0 HG LEU A 43 4.368 -20.743 -6.000 1.00 71.23 H new ATOM 0 HD11 LEU A 43 6.093 -20.737 -4.243 1.00 3.11 H new ATOM 0 HD12 LEU A 43 6.809 -20.802 -5.871 1.00 3.11 H new ATOM 0 HD13 LEU A 43 6.811 -19.274 -4.958 1.00 3.11 H new ATOM 0 HD21 LEU A 43 3.947 -19.582 -3.867 1.00 72.53 H new ATOM 0 HD22 LEU A 43 4.579 -18.074 -4.568 1.00 72.53 H new ATOM 0 HD23 LEU A 43 3.094 -18.804 -5.221 1.00 72.53 H new ATOM 650 N ALA A 44 3.742 -18.979 -9.959 1.00 25.43 N ATOM 651 CA ALA A 44 3.879 -18.797 -11.398 1.00 64.14 C ATOM 652 C ALA A 44 2.882 -17.768 -11.919 1.00 13.12 C ATOM 653 O ALA A 44 2.963 -17.337 -13.069 1.00 10.11 O ATOM 654 CB ALA A 44 3.695 -20.125 -12.118 1.00 41.34 C ATOM 0 H ALA A 44 3.398 -19.898 -9.681 1.00 25.43 H new ATOM 0 HA ALA A 44 4.884 -18.424 -11.598 1.00 64.14 H new ATOM 0 HB1 ALA A 44 3.800 -19.974 -13.192 1.00 41.34 H new ATOM 0 HB2 ALA A 44 4.450 -20.832 -11.775 1.00 41.34 H new ATOM 0 HB3 ALA A 44 2.703 -20.521 -11.903 1.00 41.34 H new ATOM 660 N SER A 45 1.940 -17.379 -11.065 1.00 4.41 N ATOM 661 CA SER A 45 0.924 -16.403 -11.440 1.00 52.05 C ATOM 662 C SER A 45 1.480 -14.984 -11.369 1.00 71.11 C ATOM 663 O SER A 45 1.691 -14.335 -12.394 1.00 13.43 O ATOM 664 CB SER A 45 -0.298 -16.531 -10.528 1.00 44.30 C ATOM 665 OG SER A 45 -1.371 -15.734 -10.999 1.00 31.35 O ATOM 0 H SER A 45 1.860 -17.725 -10.109 1.00 4.41 H new ATOM 0 HA SER A 45 0.624 -16.605 -12.468 1.00 52.05 H new ATOM 0 HB2 SER A 45 -0.610 -17.574 -10.477 1.00 44.30 H new ATOM 0 HB3 SER A 45 -0.033 -16.228 -9.515 1.00 44.30 H new ATOM 0 HG SER A 45 -2.140 -15.834 -10.400 1.00 31.35 H new ATOM 671 N LYS A 46 1.716 -14.508 -10.151 1.00 74.41 N ATOM 672 CA LYS A 46 2.248 -13.167 -9.943 1.00 23.22 C ATOM 673 C LYS A 46 3.562 -13.218 -9.169 1.00 12.41 C ATOM 674 O LYS A 46 4.283 -12.223 -9.082 1.00 54.23 O ATOM 675 CB LYS A 46 1.233 -12.304 -9.190 1.00 23.10 C ATOM 676 CG LYS A 46 0.616 -12.999 -7.989 1.00 22.33 C ATOM 677 CD LYS A 46 -0.548 -12.205 -7.422 1.00 54.40 C ATOM 678 CE LYS A 46 -0.116 -10.811 -6.993 1.00 41.11 C ATOM 679 NZ LYS A 46 -0.562 -9.770 -7.960 1.00 45.30 N ATOM 0 H LYS A 46 1.547 -15.032 -9.292 1.00 74.41 H new ATOM 0 HA LYS A 46 2.439 -12.723 -10.920 1.00 23.22 H new ATOM 0 HB2 LYS A 46 1.723 -11.389 -8.858 1.00 23.10 H new ATOM 0 HB3 LYS A 46 0.439 -12.010 -9.876 1.00 23.10 H new ATOM 0 HG2 LYS A 46 0.273 -13.992 -8.279 1.00 22.33 H new ATOM 0 HG3 LYS A 46 1.374 -13.136 -7.218 1.00 22.33 H new ATOM 0 HD2 LYS A 46 -1.336 -12.128 -8.171 1.00 54.40 H new ATOM 0 HD3 LYS A 46 -0.970 -12.735 -6.568 1.00 54.40 H new ATOM 0 HE2 LYS A 46 -0.526 -10.591 -6.007 1.00 41.11 H new ATOM 0 HE3 LYS A 46 0.970 -10.780 -6.901 1.00 41.11 H new ATOM 0 HZ1 LYS A 46 -0.248 -8.834 -7.632 1.00 45.30 H new ATOM 0 HZ2 LYS A 46 -0.150 -9.965 -8.895 1.00 45.30 H new ATOM 0 HZ3 LYS A 46 -1.600 -9.782 -8.029 1.00 45.30 H new ATOM 693 N THR A 47 3.869 -14.383 -8.608 1.00 72.31 N ATOM 694 CA THR A 47 5.095 -14.563 -7.842 1.00 24.40 C ATOM 695 C THR A 47 5.162 -13.587 -6.673 1.00 41.13 C ATOM 696 O THR A 47 5.429 -12.397 -6.842 1.00 0.12 O ATOM 697 CB THR A 47 6.343 -14.374 -8.726 1.00 33.42 C ATOM 698 OG1 THR A 47 5.953 -14.202 -10.093 1.00 31.21 O ATOM 699 CG2 THR A 47 7.277 -15.569 -8.606 1.00 73.22 C ATOM 0 H THR A 47 3.285 -15.217 -8.670 1.00 72.31 H new ATOM 0 HA THR A 47 5.081 -15.583 -7.459 1.00 24.40 H new ATOM 0 HB THR A 47 6.872 -13.484 -8.385 1.00 33.42 H new ATOM 0 HG1 THR A 47 6.751 -14.081 -10.648 1.00 31.21 H new ATOM 0 HG21 THR A 47 8.151 -15.413 -9.239 1.00 73.22 H new ATOM 0 HG22 THR A 47 7.595 -15.680 -7.569 1.00 73.22 H new ATOM 0 HG23 THR A 47 6.755 -16.472 -8.924 1.00 73.22 H new ATOM 707 N PRO A 48 4.915 -14.099 -5.458 1.00 52.15 N ATOM 708 CA PRO A 48 4.942 -13.288 -4.237 1.00 63.43 C ATOM 709 C PRO A 48 6.353 -12.842 -3.870 1.00 1.24 C ATOM 710 O PRO A 48 7.329 -13.258 -4.495 1.00 12.51 O ATOM 711 CB PRO A 48 4.386 -14.235 -3.171 1.00 20.13 C ATOM 712 CG PRO A 48 4.682 -15.601 -3.685 1.00 70.45 C ATOM 713 CD PRO A 48 4.590 -15.509 -5.183 1.00 52.45 C ATOM 0 HA PRO A 48 4.372 -12.366 -4.346 1.00 63.43 H new ATOM 0 HB2 PRO A 48 4.860 -14.065 -2.204 1.00 20.13 H new ATOM 0 HB3 PRO A 48 3.315 -14.088 -3.031 1.00 20.13 H new ATOM 0 HG2 PRO A 48 5.674 -15.928 -3.374 1.00 70.45 H new ATOM 0 HG3 PRO A 48 3.970 -16.328 -3.294 1.00 70.45 H new ATOM 0 HD2 PRO A 48 5.291 -16.186 -5.671 1.00 52.45 H new ATOM 0 HD3 PRO A 48 3.594 -15.769 -5.541 1.00 52.45 H new ATOM 721 N ASP A 49 6.454 -11.994 -2.852 1.00 53.20 N ATOM 722 CA ASP A 49 7.746 -11.492 -2.400 1.00 2.11 C ATOM 723 C ASP A 49 8.186 -12.197 -1.121 1.00 32.23 C ATOM 724 O ASP A 49 9.288 -11.970 -0.621 1.00 52.22 O ATOM 725 CB ASP A 49 7.678 -9.982 -2.167 1.00 13.12 C ATOM 726 CG ASP A 49 8.242 -9.190 -3.330 1.00 74.22 C ATOM 727 OD1 ASP A 49 8.098 -9.647 -4.483 1.00 73.03 O ATOM 728 OD2 ASP A 49 8.828 -8.114 -3.088 1.00 33.24 O ATOM 0 H ASP A 49 5.656 -11.640 -2.324 1.00 53.20 H new ATOM 0 HA ASP A 49 8.480 -11.699 -3.179 1.00 2.11 H new ATOM 0 HB2 ASP A 49 6.641 -9.689 -2.001 1.00 13.12 H new ATOM 0 HB3 ASP A 49 8.229 -9.732 -1.260 1.00 13.12 H new ATOM 733 N VAL A 50 7.316 -13.054 -0.594 1.00 41.24 N ATOM 734 CA VAL A 50 7.614 -13.793 0.627 1.00 42.43 C ATOM 735 C VAL A 50 6.486 -14.757 0.975 1.00 13.52 C ATOM 736 O VAL A 50 5.311 -14.460 0.754 1.00 33.14 O ATOM 737 CB VAL A 50 7.848 -12.841 1.815 1.00 35.35 C ATOM 738 CG1 VAL A 50 6.627 -11.964 2.045 1.00 54.53 C ATOM 739 CG2 VAL A 50 8.190 -13.631 3.070 1.00 51.21 C ATOM 0 H VAL A 50 6.399 -13.253 -0.994 1.00 41.24 H new ATOM 0 HA VAL A 50 8.526 -14.360 0.440 1.00 42.43 H new ATOM 0 HB VAL A 50 8.692 -12.193 1.578 1.00 35.35 H new ATOM 0 HG11 VAL A 50 6.811 -11.298 2.888 1.00 54.53 H new ATOM 0 HG12 VAL A 50 6.431 -11.372 1.151 1.00 54.53 H new ATOM 0 HG13 VAL A 50 5.763 -12.593 2.261 1.00 54.53 H new ATOM 0 HG21 VAL A 50 8.352 -12.943 3.900 1.00 51.21 H new ATOM 0 HG22 VAL A 50 7.367 -14.304 3.312 1.00 51.21 H new ATOM 0 HG23 VAL A 50 9.096 -14.213 2.898 1.00 51.21 H new ATOM 749 N LEU A 51 6.849 -15.912 1.521 1.00 4.55 N ATOM 750 CA LEU A 51 5.867 -16.921 1.902 1.00 2.20 C ATOM 751 C LEU A 51 6.044 -17.330 3.361 1.00 63.34 C ATOM 752 O LEU A 51 7.149 -17.276 3.902 1.00 24.30 O ATOM 753 CB LEU A 51 5.991 -18.148 0.997 1.00 11.12 C ATOM 754 CG LEU A 51 4.695 -18.637 0.349 1.00 64.12 C ATOM 755 CD1 LEU A 51 4.962 -19.144 -1.060 1.00 50.11 C ATOM 756 CD2 LEU A 51 4.053 -19.725 1.196 1.00 33.33 C ATOM 0 H LEU A 51 7.817 -16.173 1.710 1.00 4.55 H new ATOM 0 HA LEU A 51 4.873 -16.489 1.784 1.00 2.20 H new ATOM 0 HB2 LEU A 51 6.706 -17.921 0.206 1.00 11.12 H new ATOM 0 HB3 LEU A 51 6.412 -18.965 1.582 1.00 11.12 H new ATOM 0 HG LEU A 51 4.003 -17.797 0.286 1.00 64.12 H new ATOM 0 HD11 LEU A 51 4.029 -19.488 -1.506 1.00 50.11 H new ATOM 0 HD12 LEU A 51 5.377 -18.337 -1.664 1.00 50.11 H new ATOM 0 HD13 LEU A 51 5.672 -19.970 -1.021 1.00 50.11 H new ATOM 0 HD21 LEU A 51 3.132 -20.061 0.720 1.00 33.33 H new ATOM 0 HD22 LEU A 51 4.740 -20.566 1.290 1.00 33.33 H new ATOM 0 HD23 LEU A 51 3.826 -19.329 2.186 1.00 33.33 H new ATOM 768 N LEU A 52 4.950 -17.742 3.991 1.00 11.32 N ATOM 769 CA LEU A 52 4.984 -18.163 5.387 1.00 21.43 C ATOM 770 C LEU A 52 4.316 -19.523 5.562 1.00 62.51 C ATOM 771 O LEU A 52 3.246 -19.628 6.160 1.00 35.23 O ATOM 772 CB LEU A 52 4.291 -17.125 6.271 1.00 3.13 C ATOM 773 CG LEU A 52 5.139 -15.920 6.682 1.00 31.53 C ATOM 774 CD1 LEU A 52 5.542 -15.109 5.461 1.00 74.35 C ATOM 775 CD2 LEU A 52 4.383 -15.051 7.677 1.00 44.13 C ATOM 0 H LEU A 52 4.028 -17.794 3.557 1.00 11.32 H new ATOM 0 HA LEU A 52 6.028 -18.249 5.689 1.00 21.43 H new ATOM 0 HB2 LEU A 52 3.408 -16.761 5.745 1.00 3.13 H new ATOM 0 HB3 LEU A 52 3.941 -17.623 7.175 1.00 3.13 H new ATOM 0 HG LEU A 52 6.046 -16.285 7.164 1.00 31.53 H new ATOM 0 HD11 LEU A 52 6.145 -14.256 5.773 1.00 74.35 H new ATOM 0 HD12 LEU A 52 6.123 -15.735 4.784 1.00 74.35 H new ATOM 0 HD13 LEU A 52 4.648 -14.753 4.949 1.00 74.35 H new ATOM 0 HD21 LEU A 52 5.001 -14.198 7.959 1.00 44.13 H new ATOM 0 HD22 LEU A 52 3.459 -14.695 7.221 1.00 44.13 H new ATOM 0 HD23 LEU A 52 4.146 -15.637 8.565 1.00 44.13 H new ATOM 787 N SER A 53 4.957 -20.563 5.037 1.00 34.32 N ATOM 788 CA SER A 53 4.424 -21.917 5.134 1.00 72.24 C ATOM 789 C SER A 53 4.802 -22.556 6.466 1.00 32.25 C ATOM 790 O SER A 53 5.918 -22.383 6.956 1.00 11.43 O ATOM 791 CB SER A 53 4.943 -22.776 3.978 1.00 15.43 C ATOM 792 OG SER A 53 6.355 -22.885 4.019 1.00 72.34 O ATOM 0 H SER A 53 5.845 -20.494 4.541 1.00 34.32 H new ATOM 0 HA SER A 53 3.337 -21.858 5.075 1.00 72.24 H new ATOM 0 HB2 SER A 53 4.497 -23.769 4.030 1.00 15.43 H new ATOM 0 HB3 SER A 53 4.636 -22.338 3.028 1.00 15.43 H new ATOM 0 HG SER A 53 6.714 -22.831 3.109 1.00 72.34 H new ATOM 798 N ASP A 54 3.864 -23.296 7.048 1.00 52.33 N ATOM 799 CA ASP A 54 4.097 -23.962 8.324 1.00 62.34 C ATOM 800 C ASP A 54 4.431 -25.436 8.114 1.00 52.02 C ATOM 801 O ASP A 54 4.671 -25.874 6.988 1.00 14.21 O ATOM 802 CB ASP A 54 2.869 -23.828 9.226 1.00 43.04 C ATOM 803 CG ASP A 54 1.833 -24.902 8.957 1.00 42.53 C ATOM 804 OD1 ASP A 54 1.670 -25.286 7.780 1.00 33.22 O ATOM 805 OD2 ASP A 54 1.185 -25.356 9.923 1.00 61.43 O ATOM 0 H ASP A 54 2.935 -23.450 6.656 1.00 52.33 H new ATOM 0 HA ASP A 54 4.947 -23.480 8.807 1.00 62.34 H new ATOM 0 HB2 ASP A 54 3.181 -23.881 10.269 1.00 43.04 H new ATOM 0 HB3 ASP A 54 2.418 -22.847 9.077 1.00 43.04 H new ATOM 810 N ILE A 55 4.445 -26.195 9.204 1.00 22.21 N ATOM 811 CA ILE A 55 4.749 -27.619 9.139 1.00 65.21 C ATOM 812 C ILE A 55 3.979 -28.395 10.202 1.00 23.10 C ATOM 813 O ILE A 55 4.348 -28.391 11.377 1.00 70.44 O ATOM 814 CB ILE A 55 6.256 -27.882 9.319 1.00 44.43 C ATOM 815 CG1 ILE A 55 7.064 -27.048 8.322 1.00 10.41 C ATOM 816 CG2 ILE A 55 6.560 -29.362 9.147 1.00 22.51 C ATOM 817 CD1 ILE A 55 8.561 -27.205 8.476 1.00 54.24 C ATOM 0 H ILE A 55 4.249 -25.848 10.143 1.00 22.21 H new ATOM 0 HA ILE A 55 4.444 -27.961 8.150 1.00 65.21 H new ATOM 0 HB ILE A 55 6.543 -27.587 10.328 1.00 44.43 H new ATOM 0 HG12 ILE A 55 6.779 -27.332 7.309 1.00 10.41 H new ATOM 0 HG13 ILE A 55 6.803 -25.997 8.444 1.00 10.41 H new ATOM 0 HG21 ILE A 55 7.629 -29.531 9.277 1.00 22.51 H new ATOM 0 HG22 ILE A 55 6.008 -29.936 9.892 1.00 22.51 H new ATOM 0 HG23 ILE A 55 6.261 -29.681 8.149 1.00 22.51 H new ATOM 0 HD11 ILE A 55 9.070 -26.586 7.737 1.00 54.24 H new ATOM 0 HD12 ILE A 55 8.858 -26.894 9.477 1.00 54.24 H new ATOM 0 HD13 ILE A 55 8.835 -28.249 8.324 1.00 54.24 H new ATOM 920 N GLY A 62 5.202 -30.750 5.341 1.00 2.23 N ATOM 921 CA GLY A 62 5.439 -29.321 5.438 1.00 34.20 C ATOM 922 C GLY A 62 6.580 -28.861 4.554 1.00 64.35 C ATOM 923 O GLY A 62 6.365 -28.167 3.559 1.00 33.02 O ATOM 0 HA2 GLY A 62 4.531 -28.786 5.161 1.00 34.20 H new ATOM 0 HA3 GLY A 62 5.659 -29.062 6.474 1.00 34.20 H new ATOM 927 N LEU A 63 7.799 -29.247 4.915 1.00 1.44 N ATOM 928 CA LEU A 63 8.981 -28.868 4.148 1.00 13.02 C ATOM 929 C LEU A 63 8.952 -29.496 2.758 1.00 13.24 C ATOM 930 O LEU A 63 9.702 -29.095 1.870 1.00 42.35 O ATOM 931 CB LEU A 63 10.251 -29.294 4.887 1.00 73.45 C ATOM 932 CG LEU A 63 10.180 -30.630 5.628 1.00 53.21 C ATOM 933 CD1 LEU A 63 9.670 -31.726 4.705 1.00 21.13 C ATOM 934 CD2 LEU A 63 11.543 -30.998 6.195 1.00 60.33 C ATOM 0 H LEU A 63 7.995 -29.822 5.734 1.00 1.44 H new ATOM 0 HA LEU A 63 8.980 -27.784 4.037 1.00 13.02 H new ATOM 0 HB2 LEU A 63 11.067 -29.344 4.166 1.00 73.45 H new ATOM 0 HB3 LEU A 63 10.508 -28.516 5.606 1.00 73.45 H new ATOM 0 HG LEU A 63 9.480 -30.527 6.457 1.00 53.21 H new ATOM 0 HD11 LEU A 63 9.626 -32.669 5.250 1.00 21.13 H new ATOM 0 HD12 LEU A 63 8.673 -31.467 4.348 1.00 21.13 H new ATOM 0 HD13 LEU A 63 10.344 -31.829 3.855 1.00 21.13 H new ATOM 0 HD21 LEU A 63 11.474 -31.951 6.719 1.00 60.33 H new ATOM 0 HD22 LEU A 63 12.264 -31.082 5.382 1.00 60.33 H new ATOM 0 HD23 LEU A 63 11.869 -30.225 6.891 1.00 60.33 H new ATOM 946 N ALA A 64 8.079 -30.481 2.578 1.00 34.41 N ATOM 947 CA ALA A 64 7.949 -31.162 1.296 1.00 55.35 C ATOM 948 C ALA A 64 7.969 -30.165 0.141 1.00 32.52 C ATOM 949 O ALA A 64 8.594 -30.409 -0.892 1.00 5.14 O ATOM 950 CB ALA A 64 6.670 -31.985 1.262 1.00 34.21 C ATOM 0 H ALA A 64 7.451 -30.825 3.304 1.00 34.41 H new ATOM 0 HA ALA A 64 8.802 -31.831 1.180 1.00 55.35 H new ATOM 0 HB1 ALA A 64 6.586 -32.488 0.299 1.00 34.21 H new ATOM 0 HB2 ALA A 64 6.695 -32.729 2.059 1.00 34.21 H new ATOM 0 HB3 ALA A 64 5.811 -31.329 1.405 1.00 34.21 H new ATOM 956 N LEU A 65 7.281 -29.044 0.322 1.00 54.31 N ATOM 957 CA LEU A 65 7.219 -28.010 -0.705 1.00 50.15 C ATOM 958 C LEU A 65 8.387 -27.038 -0.571 1.00 62.42 C ATOM 959 O LEU A 65 8.945 -26.579 -1.569 1.00 33.20 O ATOM 960 CB LEU A 65 5.895 -27.249 -0.613 1.00 21.32 C ATOM 961 CG LEU A 65 5.299 -27.108 0.788 1.00 32.02 C ATOM 962 CD1 LEU A 65 4.454 -25.847 0.884 1.00 3.02 C ATOM 963 CD2 LEU A 65 4.471 -28.335 1.142 1.00 52.14 C ATOM 0 H LEU A 65 6.758 -28.827 1.170 1.00 54.31 H new ATOM 0 HA LEU A 65 7.284 -28.496 -1.678 1.00 50.15 H new ATOM 0 HB2 LEU A 65 6.043 -26.251 -1.025 1.00 21.32 H new ATOM 0 HB3 LEU A 65 5.165 -27.751 -1.248 1.00 21.32 H new ATOM 0 HG LEU A 65 6.117 -27.028 1.504 1.00 32.02 H new ATOM 0 HD11 LEU A 65 4.038 -25.763 1.888 1.00 3.02 H new ATOM 0 HD12 LEU A 65 5.075 -24.976 0.675 1.00 3.02 H new ATOM 0 HD13 LEU A 65 3.642 -25.897 0.158 1.00 3.02 H new ATOM 0 HD21 LEU A 65 4.055 -28.217 2.142 1.00 52.14 H new ATOM 0 HD22 LEU A 65 3.660 -28.447 0.422 1.00 52.14 H new ATOM 0 HD23 LEU A 65 5.104 -29.222 1.115 1.00 52.14 H new ATOM 975 N LEU A 66 8.754 -26.731 0.668 1.00 45.22 N ATOM 976 CA LEU A 66 9.859 -25.815 0.933 1.00 32.35 C ATOM 977 C LEU A 66 11.091 -26.198 0.120 1.00 0.10 C ATOM 978 O LEU A 66 11.730 -25.346 -0.497 1.00 44.31 O ATOM 979 CB LEU A 66 10.198 -25.814 2.425 1.00 44.10 C ATOM 980 CG LEU A 66 9.316 -24.936 3.313 1.00 22.14 C ATOM 981 CD1 LEU A 66 9.486 -23.469 2.951 1.00 51.10 C ATOM 982 CD2 LEU A 66 7.857 -25.352 3.193 1.00 3.34 C ATOM 0 H LEU A 66 8.304 -27.102 1.505 1.00 45.22 H new ATOM 0 HA LEU A 66 9.548 -24.813 0.636 1.00 32.35 H new ATOM 0 HB2 LEU A 66 10.141 -26.839 2.791 1.00 44.10 H new ATOM 0 HB3 LEU A 66 11.232 -25.491 2.542 1.00 44.10 H new ATOM 0 HG LEU A 66 9.627 -25.071 4.349 1.00 22.14 H new ATOM 0 HD11 LEU A 66 8.850 -22.860 3.594 1.00 51.10 H new ATOM 0 HD12 LEU A 66 10.527 -23.178 3.090 1.00 51.10 H new ATOM 0 HD13 LEU A 66 9.202 -23.316 1.910 1.00 51.10 H new ATOM 0 HD21 LEU A 66 7.244 -24.716 3.832 1.00 3.34 H new ATOM 0 HD22 LEU A 66 7.533 -25.247 2.158 1.00 3.34 H new ATOM 0 HD23 LEU A 66 7.748 -26.391 3.503 1.00 3.34 H new ATOM 994 N LYS A 67 11.418 -27.486 0.122 1.00 41.33 N ATOM 995 CA LYS A 67 12.571 -27.984 -0.619 1.00 5.45 C ATOM 996 C LYS A 67 12.542 -27.497 -2.064 1.00 34.40 C ATOM 997 O LYS A 67 13.585 -27.226 -2.658 1.00 74.10 O ATOM 998 CB LYS A 67 12.604 -29.513 -0.584 1.00 73.24 C ATOM 999 CG LYS A 67 12.646 -30.089 0.820 1.00 31.53 C ATOM 1000 CD LYS A 67 13.974 -29.803 1.501 1.00 13.51 C ATOM 1001 CE LYS A 67 15.122 -30.518 0.807 1.00 62.32 C ATOM 1002 NZ LYS A 67 16.397 -30.386 1.565 1.00 63.32 N ATOM 0 H LYS A 67 10.901 -28.204 0.629 1.00 41.33 H new ATOM 0 HA LYS A 67 13.472 -27.597 -0.143 1.00 5.45 H new ATOM 0 HB2 LYS A 67 11.725 -29.899 -1.100 1.00 73.24 H new ATOM 0 HB3 LYS A 67 13.476 -29.862 -1.137 1.00 73.24 H new ATOM 0 HG2 LYS A 67 11.834 -29.666 1.412 1.00 31.53 H new ATOM 0 HG3 LYS A 67 12.482 -31.166 0.777 1.00 31.53 H new ATOM 0 HD2 LYS A 67 14.160 -28.729 1.501 1.00 13.51 H new ATOM 0 HD3 LYS A 67 13.925 -30.118 2.543 1.00 13.51 H new ATOM 0 HE2 LYS A 67 14.876 -31.574 0.692 1.00 62.32 H new ATOM 0 HE3 LYS A 67 15.251 -30.110 -0.195 1.00 62.32 H new ATOM 0 HZ1 LYS A 67 17.155 -30.887 1.059 1.00 63.32 H new ATOM 0 HZ2 LYS A 67 16.646 -29.380 1.653 1.00 63.32 H new ATOM 0 HZ3 LYS A 67 16.282 -30.799 2.513 1.00 63.32 H new ATOM 1016 N GLN A 68 11.340 -27.389 -2.622 1.00 43.33 N ATOM 1017 CA GLN A 68 11.176 -26.934 -3.998 1.00 21.11 C ATOM 1018 C GLN A 68 11.115 -25.412 -4.065 1.00 15.35 C ATOM 1019 O GLN A 68 11.538 -24.806 -5.050 1.00 21.43 O ATOM 1020 CB GLN A 68 9.909 -27.535 -4.608 1.00 55.20 C ATOM 1021 CG GLN A 68 8.747 -26.557 -4.684 1.00 45.42 C ATOM 1022 CD GLN A 68 7.426 -27.240 -4.977 1.00 24.44 C ATOM 1023 OE1 GLN A 68 7.335 -28.084 -5.869 1.00 11.01 O ATOM 1024 NE2 GLN A 68 6.393 -26.880 -4.224 1.00 45.41 N ATOM 0 H GLN A 68 10.467 -27.610 -2.143 1.00 43.33 H new ATOM 0 HA GLN A 68 12.041 -27.269 -4.571 1.00 21.11 H new ATOM 0 HB2 GLN A 68 10.135 -27.896 -5.611 1.00 55.20 H new ATOM 0 HB3 GLN A 68 9.607 -28.400 -4.018 1.00 55.20 H new ATOM 0 HG2 GLN A 68 8.670 -26.016 -3.741 1.00 45.42 H new ATOM 0 HG3 GLN A 68 8.949 -25.818 -5.460 1.00 45.42 H new ATOM 0 HE21 GLN A 68 6.514 -26.176 -3.496 1.00 45.41 H new ATOM 0 HE22 GLN A 68 5.479 -27.307 -4.374 1.00 45.41 H new ATOM 1033 N ILE A 69 10.585 -24.799 -3.011 1.00 75.42 N ATOM 1034 CA ILE A 69 10.469 -23.348 -2.950 1.00 55.35 C ATOM 1035 C ILE A 69 11.831 -22.680 -3.106 1.00 32.41 C ATOM 1036 O ILE A 69 11.930 -21.548 -3.579 1.00 12.00 O ATOM 1037 CB ILE A 69 9.833 -22.889 -1.625 1.00 12.41 C ATOM 1038 CG1 ILE A 69 8.371 -23.335 -1.554 1.00 0.14 C ATOM 1039 CG2 ILE A 69 9.939 -21.378 -1.482 1.00 54.31 C ATOM 1040 CD1 ILE A 69 7.731 -23.094 -0.205 1.00 13.34 C ATOM 0 H ILE A 69 10.229 -25.286 -2.188 1.00 75.42 H new ATOM 0 HA ILE A 69 9.824 -23.048 -3.776 1.00 55.35 H new ATOM 0 HB ILE A 69 10.375 -23.351 -0.800 1.00 12.41 H new ATOM 0 HG12 ILE A 69 7.801 -22.806 -2.317 1.00 0.14 H new ATOM 0 HG13 ILE A 69 8.312 -24.397 -1.791 1.00 0.14 H new ATOM 0 HG21 ILE A 69 9.485 -21.069 -0.540 1.00 54.31 H new ATOM 0 HG22 ILE A 69 10.989 -21.084 -1.492 1.00 54.31 H new ATOM 0 HG23 ILE A 69 9.419 -20.897 -2.311 1.00 54.31 H new ATOM 0 HD11 ILE A 69 6.696 -23.434 -0.228 1.00 13.34 H new ATOM 0 HD12 ILE A 69 8.277 -23.645 0.561 1.00 13.34 H new ATOM 0 HD13 ILE A 69 7.758 -22.029 0.026 1.00 13.34 H new ATOM 1052 N LYS A 70 12.880 -23.390 -2.706 1.00 63.41 N ATOM 1053 CA LYS A 70 14.239 -22.870 -2.803 1.00 52.31 C ATOM 1054 C LYS A 70 14.798 -23.068 -4.208 1.00 64.12 C ATOM 1055 O LYS A 70 15.427 -22.170 -4.768 1.00 13.25 O ATOM 1056 CB LYS A 70 15.145 -23.558 -1.780 1.00 21.01 C ATOM 1057 CG LYS A 70 15.880 -22.589 -0.870 1.00 22.42 C ATOM 1058 CD LYS A 70 15.243 -22.526 0.508 1.00 14.30 C ATOM 1059 CE LYS A 70 15.613 -23.737 1.350 1.00 11.01 C ATOM 1060 NZ LYS A 70 14.454 -24.241 2.137 1.00 14.33 N ATOM 0 H LYS A 70 12.815 -24.328 -2.311 1.00 63.41 H new ATOM 0 HA LYS A 70 14.208 -21.801 -2.591 1.00 52.31 H new ATOM 0 HB2 LYS A 70 14.544 -24.232 -1.170 1.00 21.01 H new ATOM 0 HB3 LYS A 70 15.875 -24.172 -2.308 1.00 21.01 H new ATOM 0 HG2 LYS A 70 16.922 -22.895 -0.777 1.00 22.42 H new ATOM 0 HG3 LYS A 70 15.879 -21.595 -1.318 1.00 22.42 H new ATOM 0 HD2 LYS A 70 15.563 -21.617 1.017 1.00 14.30 H new ATOM 0 HD3 LYS A 70 14.159 -22.470 0.407 1.00 14.30 H new ATOM 0 HE2 LYS A 70 15.984 -24.531 0.701 1.00 11.01 H new ATOM 0 HE3 LYS A 70 16.425 -23.474 2.028 1.00 11.01 H new ATOM 0 HZ1 LYS A 70 14.582 -25.254 2.334 1.00 14.33 H new ATOM 0 HZ2 LYS A 70 14.391 -23.719 3.034 1.00 14.33 H new ATOM 0 HZ3 LYS A 70 13.578 -24.102 1.593 1.00 14.33 H new ATOM 1074 N GLN A 71 14.564 -24.249 -4.772 1.00 45.43 N ATOM 1075 CA GLN A 71 15.045 -24.563 -6.112 1.00 42.15 C ATOM 1076 C GLN A 71 14.311 -23.735 -7.162 1.00 61.12 C ATOM 1077 O GLN A 71 14.896 -23.327 -8.165 1.00 63.05 O ATOM 1078 CB GLN A 71 14.866 -26.054 -6.405 1.00 1.32 C ATOM 1079 CG GLN A 71 16.172 -26.831 -6.422 1.00 62.42 C ATOM 1080 CD GLN A 71 16.182 -27.977 -5.430 1.00 24.15 C ATOM 1081 OE1 GLN A 71 17.012 -28.019 -4.520 1.00 51.35 O ATOM 1082 NE2 GLN A 71 15.258 -28.915 -5.598 1.00 60.34 N ATOM 0 H GLN A 71 14.045 -25.003 -4.322 1.00 45.43 H new ATOM 0 HA GLN A 71 16.106 -24.316 -6.157 1.00 42.15 H new ATOM 0 HB2 GLN A 71 14.205 -26.487 -5.654 1.00 1.32 H new ATOM 0 HB3 GLN A 71 14.371 -26.170 -7.369 1.00 1.32 H new ATOM 0 HG2 GLN A 71 16.345 -27.222 -7.425 1.00 62.42 H new ATOM 0 HG3 GLN A 71 16.996 -26.154 -6.197 1.00 62.42 H new ATOM 0 HE21 GLN A 71 14.590 -28.841 -6.365 1.00 60.34 H new ATOM 0 HE22 GLN A 71 15.216 -29.710 -4.960 1.00 60.34 H new ATOM 1091 N ARG A 72 13.027 -23.491 -6.924 1.00 75.31 N ATOM 1092 CA ARG A 72 12.212 -22.713 -7.850 1.00 62.40 C ATOM 1093 C ARG A 72 12.423 -21.218 -7.634 1.00 54.54 C ATOM 1094 O ARG A 72 12.761 -20.487 -8.566 1.00 43.11 O ATOM 1095 CB ARG A 72 10.732 -23.061 -7.677 1.00 65.22 C ATOM 1096 CG ARG A 72 10.257 -24.173 -8.598 1.00 55.33 C ATOM 1097 CD ARG A 72 9.042 -23.744 -9.407 1.00 65.05 C ATOM 1098 NE ARG A 72 9.400 -23.365 -10.772 1.00 0.12 N ATOM 1099 CZ ARG A 72 8.515 -22.971 -11.681 1.00 22.01 C ATOM 1100 NH1 ARG A 72 7.228 -22.905 -11.372 1.00 55.43 N ATOM 1101 NH2 ARG A 72 8.918 -22.642 -12.902 1.00 21.13 N ATOM 0 H ARG A 72 12.528 -23.821 -6.098 1.00 75.31 H new ATOM 0 HA ARG A 72 12.520 -22.963 -8.865 1.00 62.40 H new ATOM 0 HB2 ARG A 72 10.555 -23.357 -6.643 1.00 65.22 H new ATOM 0 HB3 ARG A 72 10.134 -22.168 -7.860 1.00 65.22 H new ATOM 0 HG2 ARG A 72 11.064 -24.457 -9.274 1.00 55.33 H new ATOM 0 HG3 ARG A 72 10.010 -25.055 -8.008 1.00 55.33 H new ATOM 0 HD2 ARG A 72 8.319 -24.559 -9.435 1.00 65.05 H new ATOM 0 HD3 ARG A 72 8.556 -22.903 -8.913 1.00 65.05 H new ATOM 0 HE ARG A 72 10.383 -23.405 -11.042 1.00 0.12 H new ATOM 0 HH11 ARG A 72 6.915 -23.157 -10.434 1.00 55.43 H new ATOM 0 HH12 ARG A 72 6.550 -22.602 -12.072 1.00 55.43 H new ATOM 0 HH21 ARG A 72 9.908 -22.692 -13.143 1.00 21.13 H new ATOM 0 HH22 ARG A 72 8.238 -22.340 -13.599 1.00 21.13 H new ATOM 1115 N HIS A 73 12.219 -20.768 -6.400 1.00 60.30 N ATOM 1116 CA HIS A 73 12.386 -19.359 -6.062 1.00 25.31 C ATOM 1117 C HIS A 73 13.437 -19.184 -4.969 1.00 51.03 C ATOM 1118 O HIS A 73 13.121 -19.037 -3.788 1.00 71.35 O ATOM 1119 CB HIS A 73 11.055 -18.761 -5.607 1.00 3.34 C ATOM 1120 CG HIS A 73 9.904 -19.115 -6.496 1.00 52.24 C ATOM 1121 ND1 HIS A 73 9.438 -18.282 -7.492 1.00 13.35 N ATOM 1122 CD2 HIS A 73 9.124 -20.221 -6.538 1.00 5.31 C ATOM 1123 CE1 HIS A 73 8.420 -18.859 -8.105 1.00 64.25 C ATOM 1124 NE2 HIS A 73 8.210 -20.037 -7.546 1.00 64.11 N ATOM 0 H HIS A 73 11.938 -21.359 -5.617 1.00 60.30 H new ATOM 0 HA HIS A 73 12.725 -18.834 -6.955 1.00 25.31 H new ATOM 0 HB2 HIS A 73 10.840 -19.103 -4.595 1.00 3.34 H new ATOM 0 HB3 HIS A 73 11.150 -17.676 -5.564 1.00 3.34 H new ATOM 0 HD2 HIS A 73 9.206 -21.087 -5.898 1.00 5.31 H new ATOM 0 HE1 HIS A 73 7.855 -18.439 -8.924 1.00 64.25 H new ATOM 0 HE2 HIS A 73 7.486 -20.702 -7.819 1.00 64.11 H new ATOM 1132 N PRO A 74 14.717 -19.200 -5.370 1.00 52.11 N ATOM 1133 CA PRO A 74 15.839 -19.044 -4.440 1.00 64.24 C ATOM 1134 C PRO A 74 15.932 -17.631 -3.875 1.00 31.35 C ATOM 1135 O PRO A 74 16.307 -17.439 -2.718 1.00 61.14 O ATOM 1136 CB PRO A 74 17.063 -19.355 -5.306 1.00 51.44 C ATOM 1137 CG PRO A 74 16.632 -19.040 -6.697 1.00 41.33 C ATOM 1138 CD PRO A 74 15.167 -19.370 -6.762 1.00 34.51 C ATOM 0 HA PRO A 74 15.739 -19.692 -3.569 1.00 64.24 H new ATOM 0 HB2 PRO A 74 17.921 -18.751 -5.011 1.00 51.44 H new ATOM 0 HB3 PRO A 74 17.361 -20.399 -5.211 1.00 51.44 H new ATOM 0 HG2 PRO A 74 16.806 -17.990 -6.931 1.00 41.33 H new ATOM 0 HG3 PRO A 74 17.196 -19.626 -7.422 1.00 41.33 H new ATOM 0 HD2 PRO A 74 14.635 -18.704 -7.441 1.00 34.51 H new ATOM 0 HD3 PRO A 74 14.999 -20.387 -7.117 1.00 34.51 H new ATOM 1146 N MET A 75 15.587 -16.646 -4.697 1.00 10.22 N ATOM 1147 CA MET A 75 15.630 -15.250 -4.276 1.00 72.04 C ATOM 1148 C MET A 75 14.366 -14.874 -3.509 1.00 70.24 C ATOM 1149 O MET A 75 14.224 -13.743 -3.043 1.00 52.13 O ATOM 1150 CB MET A 75 15.795 -14.334 -5.491 1.00 33.22 C ATOM 1151 CG MET A 75 14.593 -14.337 -6.422 1.00 20.13 C ATOM 1152 SD MET A 75 13.861 -12.701 -6.615 1.00 54.15 S ATOM 1153 CE MET A 75 12.601 -12.741 -5.343 1.00 31.02 C ATOM 0 H MET A 75 15.275 -16.788 -5.658 1.00 10.22 H new ATOM 0 HA MET A 75 16.487 -15.122 -3.614 1.00 72.04 H new ATOM 0 HB2 MET A 75 15.975 -13.316 -5.146 1.00 33.22 H new ATOM 0 HB3 MET A 75 16.678 -14.642 -6.050 1.00 33.22 H new ATOM 0 HG2 MET A 75 14.896 -14.713 -7.399 1.00 20.13 H new ATOM 0 HG3 MET A 75 13.840 -15.024 -6.035 1.00 20.13 H new ATOM 0 HE1 MET A 75 11.694 -12.263 -5.714 1.00 31.02 H new ATOM 0 HE2 MET A 75 12.384 -13.776 -5.079 1.00 31.02 H new ATOM 0 HE3 MET A 75 12.957 -12.208 -4.461 1.00 31.02 H new ATOM 1163 N LEU A 76 13.451 -15.829 -3.382 1.00 52.42 N ATOM 1164 CA LEU A 76 12.198 -15.597 -2.672 1.00 30.55 C ATOM 1165 C LEU A 76 12.302 -16.057 -1.221 1.00 30.31 C ATOM 1166 O LEU A 76 12.478 -17.241 -0.930 1.00 41.41 O ATOM 1167 CB LEU A 76 11.050 -16.329 -3.369 1.00 63.44 C ATOM 1168 CG LEU A 76 9.682 -16.230 -2.695 1.00 12.23 C ATOM 1169 CD1 LEU A 76 9.104 -14.833 -2.863 1.00 22.12 C ATOM 1170 CD2 LEU A 76 8.731 -17.274 -3.261 1.00 33.01 C ATOM 0 H LEU A 76 13.553 -16.770 -3.761 1.00 52.42 H new ATOM 0 HA LEU A 76 11.997 -14.526 -2.682 1.00 30.55 H new ATOM 0 HB2 LEU A 76 10.961 -15.941 -4.384 1.00 63.44 H new ATOM 0 HB3 LEU A 76 11.316 -17.383 -3.453 1.00 63.44 H new ATOM 0 HG LEU A 76 9.809 -16.423 -1.630 1.00 12.23 H new ATOM 0 HD11 LEU A 76 8.130 -14.781 -2.377 1.00 22.12 H new ATOM 0 HD12 LEU A 76 9.775 -14.104 -2.409 1.00 22.12 H new ATOM 0 HD13 LEU A 76 8.992 -14.611 -3.924 1.00 22.12 H new ATOM 0 HD21 LEU A 76 7.762 -17.188 -2.769 1.00 33.01 H new ATOM 0 HD22 LEU A 76 8.610 -17.113 -4.332 1.00 33.01 H new ATOM 0 HD23 LEU A 76 9.139 -18.270 -3.088 1.00 33.01 H new ATOM 1182 N PRO A 77 12.189 -15.101 -0.287 1.00 74.12 N ATOM 1183 CA PRO A 77 12.264 -15.384 1.149 1.00 31.32 C ATOM 1184 C PRO A 77 11.049 -16.157 1.652 1.00 2.53 C ATOM 1185 O PRO A 77 9.929 -15.941 1.190 1.00 13.21 O ATOM 1186 CB PRO A 77 12.313 -13.992 1.783 1.00 15.21 C ATOM 1187 CG PRO A 77 11.649 -13.100 0.791 1.00 62.42 C ATOM 1188 CD PRO A 77 11.977 -13.670 -0.562 1.00 4.23 C ATOM 0 HA PRO A 77 13.121 -16.010 1.397 1.00 31.32 H new ATOM 0 HB2 PRO A 77 11.793 -13.975 2.741 1.00 15.21 H new ATOM 0 HB3 PRO A 77 13.340 -13.679 1.972 1.00 15.21 H new ATOM 0 HG2 PRO A 77 10.571 -13.071 0.952 1.00 62.42 H new ATOM 0 HG3 PRO A 77 12.012 -12.076 0.882 1.00 62.42 H new ATOM 0 HD2 PRO A 77 11.165 -13.513 -1.272 1.00 4.23 H new ATOM 0 HD3 PRO A 77 12.867 -13.207 -0.988 1.00 4.23 H new ATOM 1196 N VAL A 78 11.278 -17.057 2.603 1.00 63.44 N ATOM 1197 CA VAL A 78 10.202 -17.861 3.170 1.00 50.12 C ATOM 1198 C VAL A 78 10.412 -18.085 4.663 1.00 31.10 C ATOM 1199 O VAL A 78 11.546 -18.128 5.141 1.00 11.11 O ATOM 1200 CB VAL A 78 10.091 -19.227 2.467 1.00 24.12 C ATOM 1201 CG1 VAL A 78 9.024 -20.084 3.131 1.00 51.04 C ATOM 1202 CG2 VAL A 78 9.794 -19.042 0.987 1.00 42.01 C ATOM 0 H VAL A 78 12.199 -17.248 2.997 1.00 63.44 H new ATOM 0 HA VAL A 78 9.277 -17.306 3.016 1.00 50.12 H new ATOM 0 HB VAL A 78 11.047 -19.743 2.560 1.00 24.12 H new ATOM 0 HG11 VAL A 78 8.960 -21.045 2.621 1.00 51.04 H new ATOM 0 HG12 VAL A 78 9.285 -20.245 4.177 1.00 51.04 H new ATOM 0 HG13 VAL A 78 8.061 -19.577 3.072 1.00 51.04 H new ATOM 0 HG21 VAL A 78 9.719 -20.017 0.506 1.00 42.01 H new ATOM 0 HG22 VAL A 78 8.852 -18.506 0.869 1.00 42.01 H new ATOM 0 HG23 VAL A 78 10.598 -18.470 0.523 1.00 42.01 H new ATOM 1212 N ILE A 79 9.312 -18.228 5.395 1.00 71.05 N ATOM 1213 CA ILE A 79 9.376 -18.450 6.834 1.00 53.42 C ATOM 1214 C ILE A 79 8.702 -19.762 7.218 1.00 32.43 C ATOM 1215 O ILE A 79 7.731 -20.182 6.587 1.00 44.23 O ATOM 1216 CB ILE A 79 8.711 -17.298 7.611 1.00 43.32 C ATOM 1217 CG1 ILE A 79 9.144 -15.948 7.034 1.00 60.20 C ATOM 1218 CG2 ILE A 79 9.061 -17.385 9.089 1.00 41.22 C ATOM 1219 CD1 ILE A 79 8.474 -14.765 7.697 1.00 72.14 C ATOM 0 H ILE A 79 8.366 -18.194 5.015 1.00 71.05 H new ATOM 0 HA ILE A 79 10.432 -18.495 7.100 1.00 53.42 H new ATOM 0 HB ILE A 79 7.629 -17.386 7.508 1.00 43.32 H new ATOM 0 HG12 ILE A 79 10.225 -15.848 7.137 1.00 60.20 H new ATOM 0 HG13 ILE A 79 8.922 -15.930 5.967 1.00 60.20 H new ATOM 0 HG21 ILE A 79 8.584 -16.564 9.625 1.00 41.22 H new ATOM 0 HG22 ILE A 79 8.708 -18.335 9.491 1.00 41.22 H new ATOM 0 HG23 ILE A 79 10.142 -17.318 9.211 1.00 41.22 H new ATOM 0 HD11 ILE A 79 8.828 -13.842 7.238 1.00 72.14 H new ATOM 0 HD12 ILE A 79 7.394 -14.841 7.572 1.00 72.14 H new ATOM 0 HD13 ILE A 79 8.717 -14.758 8.760 1.00 72.14 H new ATOM 1231 N ILE A 80 9.221 -20.405 8.258 1.00 25.44 N ATOM 1232 CA ILE A 80 8.668 -21.669 8.729 1.00 70.00 C ATOM 1233 C ILE A 80 8.050 -21.517 10.115 1.00 41.53 C ATOM 1234 O ILE A 80 8.586 -20.813 10.970 1.00 23.03 O ATOM 1235 CB ILE A 80 9.743 -22.771 8.777 1.00 74.21 C ATOM 1236 CG1 ILE A 80 10.517 -22.817 7.458 1.00 0.50 C ATOM 1237 CG2 ILE A 80 9.104 -24.121 9.069 1.00 3.13 C ATOM 1238 CD1 ILE A 80 9.751 -23.471 6.330 1.00 50.13 C ATOM 0 H ILE A 80 10.024 -20.071 8.791 1.00 25.44 H new ATOM 0 HA ILE A 80 7.894 -21.958 8.018 1.00 70.00 H new ATOM 0 HB ILE A 80 10.443 -22.540 9.580 1.00 74.21 H new ATOM 0 HG12 ILE A 80 10.781 -21.801 7.166 1.00 0.50 H new ATOM 0 HG13 ILE A 80 11.451 -23.357 7.613 1.00 0.50 H new ATOM 0 HG21 ILE A 80 9.876 -24.890 9.100 1.00 3.13 H new ATOM 0 HG22 ILE A 80 8.593 -24.081 10.031 1.00 3.13 H new ATOM 0 HG23 ILE A 80 8.385 -24.360 8.286 1.00 3.13 H new ATOM 0 HD11 ILE A 80 10.361 -23.468 5.427 1.00 50.13 H new ATOM 0 HD12 ILE A 80 9.510 -24.499 6.602 1.00 50.13 H new ATOM 0 HD13 ILE A 80 8.830 -22.918 6.147 1.00 50.13 H new ATOM 1250 N MET A 81 6.920 -22.182 10.329 1.00 31.01 N ATOM 1251 CA MET A 81 6.230 -22.123 11.613 1.00 44.22 C ATOM 1252 C MET A 81 5.855 -23.521 12.093 1.00 11.03 C ATOM 1253 O MET A 81 5.145 -24.256 11.405 1.00 4.13 O ATOM 1254 CB MET A 81 4.975 -21.255 11.502 1.00 5.32 C ATOM 1255 CG MET A 81 5.242 -19.871 10.931 1.00 31.34 C ATOM 1256 SD MET A 81 5.086 -19.819 9.136 1.00 42.12 S ATOM 1257 CE MET A 81 3.395 -20.370 8.926 1.00 20.44 C ATOM 0 H MET A 81 6.462 -22.768 9.631 1.00 31.01 H new ATOM 0 HA MET A 81 6.908 -21.678 12.342 1.00 44.22 H new ATOM 0 HB2 MET A 81 4.245 -21.764 10.872 1.00 5.32 H new ATOM 0 HB3 MET A 81 4.526 -21.151 12.490 1.00 5.32 H new ATOM 0 HG2 MET A 81 4.545 -19.159 11.373 1.00 31.34 H new ATOM 0 HG3 MET A 81 6.245 -19.553 11.214 1.00 31.34 H new ATOM 0 HE1 MET A 81 3.383 -21.299 8.355 1.00 20.44 H new ATOM 0 HE2 MET A 81 2.943 -20.539 9.904 1.00 20.44 H new ATOM 0 HE3 MET A 81 2.828 -19.608 8.391 1.00 20.44 H new ATOM 1267 N THR A 82 6.335 -23.884 13.279 1.00 45.34 N ATOM 1268 CA THR A 82 6.051 -25.194 13.850 1.00 5.00 C ATOM 1269 C THR A 82 6.441 -25.248 15.323 1.00 44.33 C ATOM 1270 O THR A 82 5.648 -25.657 16.170 1.00 62.01 O ATOM 1271 CB THR A 82 6.795 -26.310 13.093 1.00 61.33 C ATOM 1272 OG1 THR A 82 6.651 -27.554 13.788 1.00 42.20 O ATOM 1273 CG2 THR A 82 8.271 -25.974 12.945 1.00 3.35 C ATOM 0 H THR A 82 6.922 -23.288 13.862 1.00 45.34 H new ATOM 0 HA THR A 82 4.977 -25.354 13.755 1.00 5.00 H new ATOM 0 HB THR A 82 6.358 -26.397 12.098 1.00 61.33 H new ATOM 0 HG1 THR A 82 6.208 -28.205 13.205 1.00 42.20 H new ATOM 0 HG21 THR A 82 8.775 -26.777 12.407 1.00 3.35 H new ATOM 0 HG22 THR A 82 8.378 -25.042 12.389 1.00 3.35 H new ATOM 0 HG23 THR A 82 8.719 -25.861 13.932 1.00 3.35 H new ATOM 1281 N ALA A 83 7.668 -24.831 15.621 1.00 73.30 N ATOM 1282 CA ALA A 83 8.161 -24.830 16.992 1.00 5.44 C ATOM 1283 C ALA A 83 8.290 -26.250 17.531 1.00 25.41 C ATOM 1284 O ALA A 83 8.111 -27.222 16.797 1.00 74.33 O ATOM 1285 CB ALA A 83 7.243 -24.007 17.883 1.00 14.32 C ATOM 0 H ALA A 83 8.338 -24.490 14.931 1.00 73.30 H new ATOM 0 HA ALA A 83 9.153 -24.377 16.994 1.00 5.44 H new ATOM 0 HB1 ALA A 83 7.624 -24.015 18.904 1.00 14.32 H new ATOM 0 HB2 ALA A 83 7.206 -22.981 17.518 1.00 14.32 H new ATOM 0 HB3 ALA A 83 6.240 -24.435 17.866 1.00 14.32 H new ATOM 1291 N HIS A 84 8.604 -26.364 18.818 1.00 72.31 N ATOM 1292 CA HIS A 84 8.757 -27.667 19.455 1.00 21.40 C ATOM 1293 C HIS A 84 9.465 -28.647 18.524 1.00 24.23 C ATOM 1294 O HIS A 84 10.183 -28.242 17.610 1.00 11.40 O ATOM 1295 CB HIS A 84 7.392 -28.225 19.858 1.00 31.23 C ATOM 1296 CG HIS A 84 6.539 -28.621 18.693 1.00 73.41 C ATOM 1297 ND1 HIS A 84 5.702 -27.891 17.919 1.00 2.42 N flip ATOM 1298 CD2 HIS A 84 6.483 -29.910 18.204 1.00 2.21 C flip ATOM 1299 CE1 HIS A 84 5.163 -28.742 16.986 1.00 10.13 C flip ATOM 1300 NE2 HIS A 84 5.651 -29.954 17.179 1.00 41.21 N flip ATOM 0 H HIS A 84 8.757 -25.570 19.440 1.00 72.31 H new ATOM 0 HA HIS A 84 9.366 -27.537 20.349 1.00 21.40 H new ATOM 0 HB2 HIS A 84 7.539 -29.092 20.502 1.00 31.23 H new ATOM 0 HB3 HIS A 84 6.862 -27.477 20.448 1.00 31.23 H new ATOM 0 HD1 HIS A 84 5.508 -26.894 18.012 1.00 2.42 H new ATOM 0 HD2 HIS A 84 7.033 -30.752 18.598 1.00 2.21 H new ATOM 0 HE1 HIS A 84 4.455 -28.465 16.219 1.00 10.13 H new ATOM 1308 N SER A 85 9.259 -29.938 18.764 1.00 23.23 N ATOM 1309 CA SER A 85 9.882 -30.976 17.951 1.00 52.25 C ATOM 1310 C SER A 85 9.573 -30.764 16.471 1.00 22.44 C ATOM 1311 O SER A 85 8.545 -31.219 15.969 1.00 10.43 O ATOM 1312 CB SER A 85 9.398 -32.358 18.392 1.00 74.55 C ATOM 1313 OG SER A 85 9.513 -33.299 17.338 1.00 21.21 O ATOM 0 H SER A 85 8.665 -30.290 19.515 1.00 23.23 H new ATOM 0 HA SER A 85 10.961 -30.916 18.092 1.00 52.25 H new ATOM 0 HB2 SER A 85 9.981 -32.694 19.249 1.00 74.55 H new ATOM 0 HB3 SER A 85 8.359 -32.296 18.717 1.00 74.55 H new ATOM 0 HG SER A 85 8.925 -33.036 16.599 1.00 21.21 H new ATOM 1319 N ASP A 86 10.471 -30.072 15.780 1.00 41.34 N ATOM 1320 CA ASP A 86 10.297 -29.800 14.357 1.00 11.15 C ATOM 1321 C ASP A 86 11.353 -28.819 13.858 1.00 0.24 C ATOM 1322 O ASP A 86 11.918 -28.994 12.778 1.00 72.41 O ATOM 1323 CB ASP A 86 8.898 -29.242 14.091 1.00 40.03 C ATOM 1324 CG ASP A 86 7.990 -30.253 13.418 1.00 1.31 C ATOM 1325 OD1 ASP A 86 8.387 -30.800 12.368 1.00 23.15 O ATOM 1326 OD2 ASP A 86 6.882 -30.496 13.941 1.00 41.22 O ATOM 0 H ASP A 86 11.327 -29.689 16.181 1.00 41.34 H new ATOM 0 HA ASP A 86 10.415 -30.739 13.815 1.00 11.15 H new ATOM 0 HB2 ASP A 86 8.450 -28.927 15.034 1.00 40.03 H new ATOM 0 HB3 ASP A 86 8.977 -28.355 13.463 1.00 40.03 H new ATOM 1331 N LEU A 87 11.614 -27.785 14.651 1.00 65.31 N ATOM 1332 CA LEU A 87 12.602 -26.775 14.289 1.00 4.45 C ATOM 1333 C LEU A 87 13.982 -27.401 14.110 1.00 14.12 C ATOM 1334 O LEU A 87 14.728 -27.034 13.202 1.00 12.23 O ATOM 1335 CB LEU A 87 12.660 -25.684 15.360 1.00 4.24 C ATOM 1336 CG LEU A 87 12.076 -24.326 14.968 1.00 33.42 C ATOM 1337 CD1 LEU A 87 10.724 -24.502 14.294 1.00 61.23 C ATOM 1338 CD2 LEU A 87 11.952 -23.426 16.189 1.00 75.40 C ATOM 0 H LEU A 87 11.156 -27.624 15.548 1.00 65.31 H new ATOM 0 HA LEU A 87 12.300 -26.330 13.341 1.00 4.45 H new ATOM 0 HB2 LEU A 87 12.132 -26.042 16.244 1.00 4.24 H new ATOM 0 HB3 LEU A 87 13.702 -25.540 15.647 1.00 4.24 H new ATOM 0 HG LEU A 87 12.754 -23.851 14.259 1.00 33.42 H new ATOM 0 HD11 LEU A 87 10.323 -23.526 14.022 1.00 61.23 H new ATOM 0 HD12 LEU A 87 10.841 -25.109 13.396 1.00 61.23 H new ATOM 0 HD13 LEU A 87 10.037 -24.998 14.980 1.00 61.23 H new ATOM 0 HD21 LEU A 87 11.535 -22.464 15.891 1.00 75.40 H new ATOM 0 HD22 LEU A 87 11.295 -23.895 16.922 1.00 75.40 H new ATOM 0 HD23 LEU A 87 12.937 -23.273 16.630 1.00 75.40 H new ATOM 1350 N ASP A 88 14.313 -28.349 14.980 1.00 54.21 N ATOM 1351 CA ASP A 88 15.601 -29.029 14.916 1.00 71.21 C ATOM 1352 C ASP A 88 15.829 -29.632 13.533 1.00 2.41 C ATOM 1353 O ASP A 88 16.967 -29.867 13.128 1.00 41.10 O ATOM 1354 CB ASP A 88 15.677 -30.124 15.982 1.00 43.44 C ATOM 1355 CG ASP A 88 16.711 -29.821 17.049 1.00 71.53 C ATOM 1356 OD1 ASP A 88 17.871 -29.536 16.686 1.00 23.54 O ATOM 1357 OD2 ASP A 88 16.360 -29.871 18.246 1.00 14.24 O ATOM 0 H ASP A 88 13.707 -28.664 15.738 1.00 54.21 H new ATOM 0 HA ASP A 88 16.383 -28.293 15.105 1.00 71.21 H new ATOM 0 HB2 ASP A 88 14.699 -30.240 16.450 1.00 43.44 H new ATOM 0 HB3 ASP A 88 15.918 -31.075 15.506 1.00 43.44 H new ATOM 1362 N ALA A 89 14.739 -29.880 12.814 1.00 4.41 N ATOM 1363 CA ALA A 89 14.821 -30.454 11.477 1.00 52.43 C ATOM 1364 C ALA A 89 15.016 -29.368 10.424 1.00 1.31 C ATOM 1365 O ALA A 89 15.687 -29.582 9.415 1.00 54.03 O ATOM 1366 CB ALA A 89 13.570 -31.266 11.174 1.00 4.00 C ATOM 0 H ALA A 89 13.789 -29.692 13.135 1.00 4.41 H new ATOM 0 HA ALA A 89 15.687 -31.115 11.445 1.00 52.43 H new ATOM 0 HB1 ALA A 89 13.645 -31.689 10.172 1.00 4.00 H new ATOM 0 HB2 ALA A 89 13.474 -32.072 11.902 1.00 4.00 H new ATOM 0 HB3 ALA A 89 12.694 -30.620 11.231 1.00 4.00 H new ATOM 1372 N ALA A 90 14.426 -28.202 10.667 1.00 75.15 N ATOM 1373 CA ALA A 90 14.536 -27.082 9.740 1.00 60.42 C ATOM 1374 C ALA A 90 15.806 -26.279 9.999 1.00 53.40 C ATOM 1375 O ALA A 90 16.276 -25.544 9.130 1.00 72.20 O ATOM 1376 CB ALA A 90 13.311 -26.186 9.846 1.00 31.51 C ATOM 0 H ALA A 90 13.867 -28.008 11.498 1.00 75.15 H new ATOM 0 HA ALA A 90 14.591 -27.484 8.728 1.00 60.42 H new ATOM 0 HB1 ALA A 90 13.407 -25.354 9.148 1.00 31.51 H new ATOM 0 HB2 ALA A 90 12.417 -26.761 9.604 1.00 31.51 H new ATOM 0 HB3 ALA A 90 13.230 -25.800 10.862 1.00 31.51 H new ATOM 1382 N VAL A 91 16.356 -26.422 11.200 1.00 4.34 N ATOM 1383 CA VAL A 91 17.572 -25.709 11.574 1.00 63.02 C ATOM 1384 C VAL A 91 18.671 -25.916 10.537 1.00 11.13 C ATOM 1385 O VAL A 91 19.201 -24.955 9.979 1.00 21.34 O ATOM 1386 CB VAL A 91 18.089 -26.164 12.952 1.00 60.45 C ATOM 1387 CG1 VAL A 91 19.511 -25.674 13.178 1.00 51.54 C ATOM 1388 CG2 VAL A 91 17.165 -25.673 14.056 1.00 71.44 C ATOM 0 H VAL A 91 15.979 -27.025 11.931 1.00 4.34 H new ATOM 0 HA VAL A 91 17.316 -24.651 11.622 1.00 63.02 H new ATOM 0 HB VAL A 91 18.098 -27.254 12.975 1.00 60.45 H new ATOM 0 HG11 VAL A 91 19.859 -26.005 14.156 1.00 51.54 H new ATOM 0 HG12 VAL A 91 20.163 -26.080 12.405 1.00 51.54 H new ATOM 0 HG13 VAL A 91 19.532 -24.585 13.135 1.00 51.54 H new ATOM 0 HG21 VAL A 91 17.545 -26.003 15.023 1.00 71.44 H new ATOM 0 HG22 VAL A 91 17.121 -24.584 14.036 1.00 71.44 H new ATOM 0 HG23 VAL A 91 16.165 -26.079 13.901 1.00 71.44 H new ATOM 1398 N SER A 92 19.008 -27.176 10.284 1.00 70.51 N ATOM 1399 CA SER A 92 20.046 -27.510 9.316 1.00 25.32 C ATOM 1400 C SER A 92 19.468 -27.596 7.907 1.00 64.41 C ATOM 1401 O SER A 92 20.059 -27.095 6.950 1.00 35.14 O ATOM 1402 CB SER A 92 20.713 -28.836 9.688 1.00 33.32 C ATOM 1403 OG SER A 92 21.400 -29.391 8.580 1.00 54.44 O ATOM 0 H SER A 92 18.577 -27.983 10.736 1.00 70.51 H new ATOM 0 HA SER A 92 20.794 -26.717 9.335 1.00 25.32 H new ATOM 0 HB2 SER A 92 21.411 -28.677 10.510 1.00 33.32 H new ATOM 0 HB3 SER A 92 19.959 -29.539 10.041 1.00 33.32 H new ATOM 0 HG SER A 92 21.818 -30.237 8.845 1.00 54.44 H new ATOM 1409 N ALA A 93 18.310 -28.236 7.788 1.00 55.04 N ATOM 1410 CA ALA A 93 17.650 -28.387 6.497 1.00 54.23 C ATOM 1411 C ALA A 93 17.329 -27.029 5.882 1.00 41.40 C ATOM 1412 O ALA A 93 17.837 -26.684 4.814 1.00 33.24 O ATOM 1413 CB ALA A 93 16.381 -29.213 6.646 1.00 71.40 C ATOM 0 H ALA A 93 17.809 -28.658 8.570 1.00 55.04 H new ATOM 0 HA ALA A 93 18.334 -28.908 5.827 1.00 54.23 H new ATOM 0 HB1 ALA A 93 15.899 -29.318 5.674 1.00 71.40 H new ATOM 0 HB2 ALA A 93 16.633 -30.200 7.034 1.00 71.40 H new ATOM 0 HB3 ALA A 93 15.701 -28.714 7.337 1.00 71.40 H new ATOM 1419 N TYR A 94 16.484 -26.262 6.562 1.00 50.44 N ATOM 1420 CA TYR A 94 16.093 -24.942 6.080 1.00 3.12 C ATOM 1421 C TYR A 94 17.313 -24.042 5.907 1.00 22.10 C ATOM 1422 O TYR A 94 17.253 -23.023 5.219 1.00 30.34 O ATOM 1423 CB TYR A 94 15.102 -24.295 7.049 1.00 22.24 C ATOM 1424 CG TYR A 94 14.163 -23.312 6.388 1.00 0.23 C ATOM 1425 CD1 TYR A 94 13.540 -23.617 5.185 1.00 35.50 C ATOM 1426 CD2 TYR A 94 13.898 -22.077 6.968 1.00 4.01 C ATOM 1427 CE1 TYR A 94 12.681 -22.722 4.577 1.00 4.43 C ATOM 1428 CE2 TYR A 94 13.040 -21.175 6.368 1.00 25.42 C ATOM 1429 CZ TYR A 94 12.435 -21.502 5.173 1.00 71.12 C ATOM 1430 OH TYR A 94 11.580 -20.608 4.571 1.00 14.54 O ATOM 0 H TYR A 94 16.057 -26.531 7.448 1.00 50.44 H new ATOM 0 HA TYR A 94 15.614 -25.065 5.109 1.00 3.12 H new ATOM 0 HB2 TYR A 94 14.515 -25.077 7.531 1.00 22.24 H new ATOM 0 HB3 TYR A 94 15.657 -23.782 7.835 1.00 22.24 H new ATOM 0 HD1 TYR A 94 13.730 -24.571 4.716 1.00 35.50 H new ATOM 0 HD2 TYR A 94 14.371 -21.818 7.904 1.00 4.01 H new ATOM 0 HE1 TYR A 94 12.205 -22.976 3.641 1.00 4.43 H new ATOM 0 HE2 TYR A 94 12.845 -20.220 6.832 1.00 25.42 H new ATOM 0 HH TYR A 94 11.958 -19.706 4.626 1.00 14.54 H new ATOM 1440 N GLN A 95 18.419 -24.428 6.536 1.00 52.23 N ATOM 1441 CA GLN A 95 19.653 -23.657 6.452 1.00 44.54 C ATOM 1442 C GLN A 95 20.264 -23.757 5.058 1.00 63.31 C ATOM 1443 O GLN A 95 21.340 -23.217 4.802 1.00 60.23 O ATOM 1444 CB GLN A 95 20.657 -24.145 7.498 1.00 51.22 C ATOM 1445 CG GLN A 95 20.894 -23.151 8.624 1.00 71.33 C ATOM 1446 CD GLN A 95 21.743 -21.972 8.192 1.00 22.03 C ATOM 1447 OE1 GLN A 95 22.029 -21.799 7.007 1.00 12.52 O ATOM 1448 NE2 GLN A 95 22.152 -21.153 9.154 1.00 31.14 N ATOM 0 H GLN A 95 18.485 -25.269 7.109 1.00 52.23 H new ATOM 0 HA GLN A 95 19.413 -22.612 6.649 1.00 44.54 H new ATOM 0 HB2 GLN A 95 20.300 -25.083 7.922 1.00 51.22 H new ATOM 0 HB3 GLN A 95 21.606 -24.358 7.007 1.00 51.22 H new ATOM 0 HG2 GLN A 95 19.934 -22.788 8.991 1.00 71.33 H new ATOM 0 HG3 GLN A 95 21.381 -23.659 9.456 1.00 71.33 H new ATOM 0 HE21 GLN A 95 21.891 -21.334 10.123 1.00 31.14 H new ATOM 0 HE22 GLN A 95 22.727 -20.342 8.924 1.00 31.14 H new ATOM 1457 N GLN A 96 19.571 -24.452 4.162 1.00 72.20 N ATOM 1458 CA GLN A 96 20.047 -24.624 2.794 1.00 33.25 C ATOM 1459 C GLN A 96 19.959 -23.314 2.019 1.00 44.11 C ATOM 1460 O GLN A 96 19.978 -23.307 0.789 1.00 54.51 O ATOM 1461 CB GLN A 96 19.235 -25.707 2.082 1.00 71.30 C ATOM 1462 CG GLN A 96 19.727 -27.118 2.360 1.00 30.43 C ATOM 1463 CD GLN A 96 20.928 -27.495 1.515 1.00 33.10 C ATOM 1464 OE1 GLN A 96 21.912 -26.758 1.451 1.00 70.03 O ATOM 1465 NE2 GLN A 96 20.853 -28.648 0.861 1.00 61.32 N ATOM 0 H GLN A 96 18.678 -24.905 4.358 1.00 72.20 H new ATOM 0 HA GLN A 96 21.092 -24.931 2.835 1.00 33.25 H new ATOM 0 HB2 GLN A 96 18.192 -25.628 2.389 1.00 71.30 H new ATOM 0 HB3 GLN A 96 19.266 -25.525 1.008 1.00 71.30 H new ATOM 0 HG2 GLN A 96 19.988 -27.207 3.415 1.00 30.43 H new ATOM 0 HG3 GLN A 96 18.919 -27.824 2.171 1.00 30.43 H new ATOM 0 HE21 GLN A 96 20.018 -29.227 0.943 1.00 61.32 H new ATOM 0 HE22 GLN A 96 21.631 -28.954 0.276 1.00 61.32 H new ATOM 1474 N GLY A 97 19.864 -22.206 2.748 1.00 50.45 N ATOM 1475 CA GLY A 97 19.775 -20.905 2.111 1.00 54.43 C ATOM 1476 C GLY A 97 18.402 -20.279 2.259 1.00 32.44 C ATOM 1477 O GLY A 97 17.939 -19.564 1.372 1.00 51.23 O ATOM 0 H GLY A 97 19.847 -22.186 3.768 1.00 50.45 H new ATOM 0 HA2 GLY A 97 20.522 -20.240 2.544 1.00 54.43 H new ATOM 0 HA3 GLY A 97 20.013 -21.005 1.052 1.00 54.43 H new ATOM 1481 N ALA A 98 17.748 -20.551 3.384 1.00 22.22 N ATOM 1482 CA ALA A 98 16.420 -20.010 3.646 1.00 44.10 C ATOM 1483 C ALA A 98 16.484 -18.860 4.646 1.00 54.05 C ATOM 1484 O ALA A 98 17.549 -18.541 5.174 1.00 61.23 O ATOM 1485 CB ALA A 98 15.495 -21.105 4.156 1.00 42.20 C ATOM 0 H ALA A 98 18.117 -21.143 4.128 1.00 22.22 H new ATOM 0 HA ALA A 98 16.021 -19.621 2.709 1.00 44.10 H new ATOM 0 HB1 ALA A 98 14.507 -20.687 4.347 1.00 42.20 H new ATOM 0 HB2 ALA A 98 15.417 -21.893 3.407 1.00 42.20 H new ATOM 0 HB3 ALA A 98 15.898 -21.521 5.079 1.00 42.20 H new ATOM 1491 N PHE A 99 15.336 -18.240 4.900 1.00 2.14 N ATOM 1492 CA PHE A 99 15.262 -17.124 5.836 1.00 52.43 C ATOM 1493 C PHE A 99 14.944 -17.615 7.245 1.00 70.11 C ATOM 1494 O PHE A 99 14.276 -18.634 7.423 1.00 42.03 O ATOM 1495 CB PHE A 99 14.200 -16.120 5.382 1.00 73.13 C ATOM 1496 CG PHE A 99 13.877 -15.080 6.416 1.00 42.42 C ATOM 1497 CD1 PHE A 99 14.661 -13.944 6.543 1.00 55.13 C ATOM 1498 CD2 PHE A 99 12.791 -15.238 7.261 1.00 11.43 C ATOM 1499 CE1 PHE A 99 14.366 -12.984 7.493 1.00 63.20 C ATOM 1500 CE2 PHE A 99 12.492 -14.281 8.213 1.00 35.20 C ATOM 1501 CZ PHE A 99 13.281 -13.154 8.330 1.00 51.21 C ATOM 0 H PHE A 99 14.445 -18.491 4.471 1.00 2.14 H new ATOM 0 HA PHE A 99 16.234 -16.632 5.853 1.00 52.43 H new ATOM 0 HB2 PHE A 99 14.545 -15.624 4.475 1.00 73.13 H new ATOM 0 HB3 PHE A 99 13.289 -16.659 5.124 1.00 73.13 H new ATOM 0 HD1 PHE A 99 15.512 -13.807 5.892 1.00 55.13 H new ATOM 0 HD2 PHE A 99 12.171 -16.118 7.175 1.00 11.43 H new ATOM 0 HE1 PHE A 99 14.983 -12.102 7.580 1.00 63.20 H new ATOM 0 HE2 PHE A 99 11.641 -14.415 8.865 1.00 35.20 H new ATOM 0 HZ PHE A 99 13.050 -12.407 9.075 1.00 51.21 H new ATOM 1511 N ASP A 100 15.428 -16.884 8.243 1.00 55.21 N ATOM 1512 CA ASP A 100 15.195 -17.244 9.637 1.00 43.21 C ATOM 1513 C ASP A 100 13.715 -17.510 9.890 1.00 13.41 C ATOM 1514 O ASP A 100 12.901 -16.586 9.900 1.00 14.10 O ATOM 1515 CB ASP A 100 15.692 -16.132 10.563 1.00 64.35 C ATOM 1516 CG ASP A 100 15.583 -16.507 12.028 1.00 43.15 C ATOM 1517 OD1 ASP A 100 16.178 -17.531 12.423 1.00 12.05 O ATOM 1518 OD2 ASP A 100 14.903 -15.776 12.778 1.00 34.40 O ATOM 0 H ASP A 100 15.984 -16.039 8.113 1.00 55.21 H new ATOM 0 HA ASP A 100 15.751 -18.158 9.848 1.00 43.21 H new ATOM 0 HB2 ASP A 100 16.731 -15.903 10.326 1.00 64.35 H new ATOM 0 HB3 ASP A 100 15.116 -15.225 10.379 1.00 64.35 H new ATOM 1523 N TYR A 101 13.373 -18.777 10.093 1.00 12.13 N ATOM 1524 CA TYR A 101 11.990 -19.165 10.343 1.00 54.21 C ATOM 1525 C TYR A 101 11.474 -18.541 11.636 1.00 31.54 C ATOM 1526 O TYR A 101 12.159 -17.735 12.267 1.00 32.23 O ATOM 1527 CB TYR A 101 11.870 -20.688 10.415 1.00 61.13 C ATOM 1528 CG TYR A 101 12.948 -21.341 11.249 1.00 23.44 C ATOM 1529 CD1 TYR A 101 13.088 -21.041 12.599 1.00 75.32 C ATOM 1530 CD2 TYR A 101 13.827 -22.260 10.689 1.00 45.35 C ATOM 1531 CE1 TYR A 101 14.072 -21.635 13.365 1.00 73.32 C ATOM 1532 CE2 TYR A 101 14.814 -22.860 11.447 1.00 12.23 C ATOM 1533 CZ TYR A 101 14.932 -22.544 12.785 1.00 42.13 C ATOM 1534 OH TYR A 101 15.913 -23.139 13.545 1.00 50.23 O ATOM 0 H TYR A 101 14.035 -19.553 10.089 1.00 12.13 H new ATOM 0 HA TYR A 101 11.382 -18.798 9.516 1.00 54.21 H new ATOM 0 HB2 TYR A 101 10.895 -20.948 10.828 1.00 61.13 H new ATOM 0 HB3 TYR A 101 11.907 -21.095 9.405 1.00 61.13 H new ATOM 0 HD1 TYR A 101 12.415 -20.331 13.057 1.00 75.32 H new ATOM 0 HD2 TYR A 101 13.737 -22.510 9.642 1.00 45.35 H new ATOM 0 HE1 TYR A 101 14.167 -21.389 14.412 1.00 73.32 H new ATOM 0 HE2 TYR A 101 15.489 -23.572 10.995 1.00 12.23 H new ATOM 0 HH TYR A 101 15.517 -23.501 14.365 1.00 50.23 H new ATOM 1544 N LEU A 102 10.262 -18.921 12.026 1.00 21.21 N ATOM 1545 CA LEU A 102 9.652 -18.401 13.245 1.00 25.22 C ATOM 1546 C LEU A 102 8.780 -19.460 13.912 1.00 53.31 C ATOM 1547 O LEU A 102 7.796 -19.936 13.345 1.00 64.15 O ATOM 1548 CB LEU A 102 8.817 -17.159 12.931 1.00 1.23 C ATOM 1549 CG LEU A 102 7.641 -16.886 13.869 1.00 34.43 C ATOM 1550 CD1 LEU A 102 8.132 -16.309 15.188 1.00 53.24 C ATOM 1551 CD2 LEU A 102 6.641 -15.946 13.212 1.00 2.31 C ATOM 0 H LEU A 102 9.682 -19.587 11.516 1.00 21.21 H new ATOM 0 HA LEU A 102 10.451 -18.129 13.934 1.00 25.22 H new ATOM 0 HB2 LEU A 102 9.475 -16.290 12.944 1.00 1.23 H new ATOM 0 HB3 LEU A 102 8.432 -17.252 11.916 1.00 1.23 H new ATOM 0 HG LEU A 102 7.139 -17.831 14.075 1.00 34.43 H new ATOM 0 HD11 LEU A 102 7.281 -16.121 15.842 1.00 53.24 H new ATOM 0 HD12 LEU A 102 8.808 -17.018 15.666 1.00 53.24 H new ATOM 0 HD13 LEU A 102 8.660 -15.374 15.002 1.00 53.24 H new ATOM 0 HD21 LEU A 102 5.811 -15.763 13.894 1.00 2.31 H new ATOM 0 HD22 LEU A 102 7.131 -15.001 12.975 1.00 2.31 H new ATOM 0 HD23 LEU A 102 6.264 -16.399 12.295 1.00 2.31 H new ATOM 1563 N PRO A 103 9.145 -19.836 15.146 1.00 33.15 N ATOM 1564 CA PRO A 103 8.407 -20.840 15.919 1.00 74.04 C ATOM 1565 C PRO A 103 7.041 -20.335 16.370 1.00 13.24 C ATOM 1566 O PRO A 103 6.875 -19.155 16.681 1.00 51.14 O ATOM 1567 CB PRO A 103 9.310 -21.092 17.128 1.00 24.21 C ATOM 1568 CG PRO A 103 10.103 -19.839 17.277 1.00 74.33 C ATOM 1569 CD PRO A 103 10.306 -19.310 15.884 1.00 73.11 C ATOM 0 HA PRO A 103 8.199 -21.734 15.332 1.00 74.04 H new ATOM 0 HB2 PRO A 103 8.724 -21.298 18.024 1.00 24.21 H new ATOM 0 HB3 PRO A 103 9.958 -21.953 16.965 1.00 24.21 H new ATOM 0 HG2 PRO A 103 9.575 -19.114 17.897 1.00 74.33 H new ATOM 0 HG3 PRO A 103 11.059 -20.037 17.762 1.00 74.33 H new ATOM 0 HD2 PRO A 103 10.332 -18.220 15.868 1.00 73.11 H new ATOM 0 HD3 PRO A 103 11.246 -19.658 15.455 1.00 73.11 H new ATOM 1577 N LYS A 104 6.064 -21.235 16.406 1.00 61.11 N ATOM 1578 CA LYS A 104 4.712 -20.882 16.822 1.00 51.14 C ATOM 1579 C LYS A 104 4.404 -21.443 18.206 1.00 4.23 C ATOM 1580 O LYS A 104 4.879 -22.513 18.588 1.00 13.24 O ATOM 1581 CB LYS A 104 3.692 -21.407 15.809 1.00 55.40 C ATOM 1582 CG LYS A 104 3.915 -22.857 15.416 1.00 14.24 C ATOM 1583 CD LYS A 104 2.638 -23.671 15.543 1.00 23.51 C ATOM 1584 CE LYS A 104 2.205 -23.806 16.995 1.00 53.02 C ATOM 1585 NZ LYS A 104 3.086 -24.736 17.753 1.00 24.11 N ATOM 0 H LYS A 104 6.184 -22.216 16.152 1.00 61.11 H new ATOM 0 HA LYS A 104 4.645 -19.795 16.867 1.00 51.14 H new ATOM 0 HB2 LYS A 104 2.691 -21.303 16.227 1.00 55.40 H new ATOM 0 HB3 LYS A 104 3.730 -20.787 14.913 1.00 55.40 H new ATOM 0 HG2 LYS A 104 4.278 -22.905 14.389 1.00 14.24 H new ATOM 0 HG3 LYS A 104 4.689 -23.292 16.048 1.00 14.24 H new ATOM 0 HD2 LYS A 104 1.843 -23.195 14.968 1.00 23.51 H new ATOM 0 HD3 LYS A 104 2.792 -24.661 15.115 1.00 23.51 H new ATOM 0 HE2 LYS A 104 2.218 -22.825 17.470 1.00 53.02 H new ATOM 0 HE3 LYS A 104 1.177 -24.166 17.035 1.00 53.02 H new ATOM 0 HZ1 LYS A 104 2.517 -25.270 18.440 1.00 24.11 H new ATOM 0 HZ2 LYS A 104 3.543 -25.397 17.093 1.00 24.11 H new ATOM 0 HZ3 LYS A 104 3.815 -24.191 18.256 1.00 24.11 H new ATOM 1599 N PRO A 105 3.591 -20.706 18.977 1.00 54.01 N ATOM 1600 CA PRO A 105 3.020 -19.430 18.533 1.00 25.51 C ATOM 1601 C PRO A 105 4.072 -18.332 18.424 1.00 65.01 C ATOM 1602 O PRO A 105 5.253 -18.561 18.689 1.00 12.51 O ATOM 1603 CB PRO A 105 2.008 -19.094 19.630 1.00 14.33 C ATOM 1604 CG PRO A 105 2.510 -19.803 20.840 1.00 3.43 C ATOM 1605 CD PRO A 105 3.165 -21.061 20.341 1.00 33.01 C ATOM 0 HA PRO A 105 2.581 -19.503 17.538 1.00 25.51 H new ATOM 0 HB2 PRO A 105 1.949 -18.019 19.798 1.00 14.33 H new ATOM 0 HB3 PRO A 105 1.007 -19.430 19.361 1.00 14.33 H new ATOM 0 HG2 PRO A 105 3.220 -19.184 21.388 1.00 3.43 H new ATOM 0 HG3 PRO A 105 1.693 -20.033 21.524 1.00 3.43 H new ATOM 0 HD2 PRO A 105 4.012 -21.348 20.965 1.00 33.01 H new ATOM 0 HD3 PRO A 105 2.471 -21.902 20.339 1.00 33.01 H new ATOM 1613 N PHE A 106 3.637 -17.139 18.032 1.00 22.14 N ATOM 1614 CA PHE A 106 4.542 -16.005 17.888 1.00 41.33 C ATOM 1615 C PHE A 106 3.790 -14.686 18.043 1.00 42.04 C ATOM 1616 O PHE A 106 2.560 -14.653 18.013 1.00 71.32 O ATOM 1617 CB PHE A 106 5.238 -16.051 16.526 1.00 63.00 C ATOM 1618 CG PHE A 106 4.285 -16.115 15.367 1.00 11.11 C ATOM 1619 CD1 PHE A 106 3.541 -15.004 15.003 1.00 31.11 C ATOM 1620 CD2 PHE A 106 4.133 -17.285 14.642 1.00 61.45 C ATOM 1621 CE1 PHE A 106 2.662 -15.061 13.938 1.00 43.43 C ATOM 1622 CE2 PHE A 106 3.256 -17.348 13.575 1.00 44.33 C ATOM 1623 CZ PHE A 106 2.521 -16.233 13.222 1.00 72.41 C ATOM 0 H PHE A 106 2.663 -16.933 17.808 1.00 22.14 H new ATOM 0 HA PHE A 106 5.293 -16.069 18.675 1.00 41.33 H new ATOM 0 HB2 PHE A 106 5.868 -15.168 16.419 1.00 63.00 H new ATOM 0 HB3 PHE A 106 5.897 -16.919 16.493 1.00 63.00 H new ATOM 0 HD1 PHE A 106 3.649 -14.084 15.558 1.00 31.11 H new ATOM 0 HD2 PHE A 106 4.707 -18.159 14.913 1.00 61.45 H new ATOM 0 HE1 PHE A 106 2.086 -14.189 13.666 1.00 43.43 H new ATOM 0 HE2 PHE A 106 3.146 -18.267 13.019 1.00 44.33 H new ATOM 0 HZ PHE A 106 1.837 -16.278 12.387 1.00 72.41 H new ATOM 1633 N ASP A 107 4.539 -13.601 18.209 1.00 71.35 N ATOM 1634 CA ASP A 107 3.945 -12.279 18.368 1.00 74.12 C ATOM 1635 C ASP A 107 3.779 -11.591 17.016 1.00 21.32 C ATOM 1636 O ASP A 107 4.762 -11.249 16.359 1.00 43.22 O ATOM 1637 CB ASP A 107 4.807 -11.417 19.291 1.00 51.33 C ATOM 1638 CG ASP A 107 4.439 -11.586 20.752 1.00 65.12 C ATOM 1639 OD1 ASP A 107 3.995 -12.691 21.128 1.00 54.12 O ATOM 1640 OD2 ASP A 107 4.598 -10.614 21.519 1.00 34.14 O ATOM 0 H ASP A 107 5.559 -13.611 18.237 1.00 71.35 H new ATOM 0 HA ASP A 107 2.959 -12.402 18.816 1.00 74.12 H new ATOM 0 HB2 ASP A 107 5.856 -11.677 19.151 1.00 51.33 H new ATOM 0 HB3 ASP A 107 4.698 -10.369 19.011 1.00 51.33 H new ATOM 1645 N ILE A 108 2.530 -11.394 16.608 1.00 43.43 N ATOM 1646 CA ILE A 108 2.237 -10.747 15.335 1.00 51.12 C ATOM 1647 C ILE A 108 3.065 -9.478 15.159 1.00 72.52 C ATOM 1648 O ILE A 108 3.458 -9.131 14.045 1.00 12.10 O ATOM 1649 CB ILE A 108 0.743 -10.392 15.215 1.00 70.22 C ATOM 1650 CG1 ILE A 108 -0.089 -11.659 15.002 1.00 1.35 C ATOM 1651 CG2 ILE A 108 0.522 -9.409 14.075 1.00 71.54 C ATOM 1652 CD1 ILE A 108 -1.507 -11.543 15.516 1.00 21.54 C ATOM 0 H ILE A 108 1.705 -11.673 17.140 1.00 43.43 H new ATOM 0 HA ILE A 108 2.497 -11.459 14.552 1.00 51.12 H new ATOM 0 HB ILE A 108 0.421 -9.920 16.143 1.00 70.22 H new ATOM 0 HG12 ILE A 108 -0.115 -11.893 13.938 1.00 1.35 H new ATOM 0 HG13 ILE A 108 0.402 -12.495 15.500 1.00 1.35 H new ATOM 0 HG21 ILE A 108 -0.539 -9.168 14.003 1.00 71.54 H new ATOM 0 HG22 ILE A 108 1.089 -8.498 14.265 1.00 71.54 H new ATOM 0 HG23 ILE A 108 0.857 -9.856 13.139 1.00 71.54 H new ATOM 0 HD11 ILE A 108 -2.038 -12.477 15.332 1.00 21.54 H new ATOM 0 HD12 ILE A 108 -1.490 -11.340 16.587 1.00 21.54 H new ATOM 0 HD13 ILE A 108 -2.016 -10.728 15.000 1.00 21.54 H new ATOM 1664 N ASP A 109 3.328 -8.792 16.265 1.00 15.03 N ATOM 1665 CA ASP A 109 4.112 -7.563 16.234 1.00 12.15 C ATOM 1666 C ASP A 109 5.499 -7.818 15.652 1.00 14.34 C ATOM 1667 O ASP A 109 5.994 -7.037 14.841 1.00 40.32 O ATOM 1668 CB ASP A 109 4.236 -6.976 17.642 1.00 74.35 C ATOM 1669 CG ASP A 109 4.824 -5.579 17.637 1.00 72.04 C ATOM 1670 OD1 ASP A 109 4.318 -4.726 16.878 1.00 2.43 O ATOM 1671 OD2 ASP A 109 5.791 -5.339 18.390 1.00 35.13 O ATOM 0 H ASP A 109 3.010 -9.066 17.195 1.00 15.03 H new ATOM 0 HA ASP A 109 3.595 -6.847 15.595 1.00 12.15 H new ATOM 0 HB2 ASP A 109 3.252 -6.951 18.110 1.00 74.35 H new ATOM 0 HB3 ASP A 109 4.862 -7.628 18.251 1.00 74.35 H new ATOM 1676 N GLU A 110 6.119 -8.915 16.074 1.00 65.11 N ATOM 1677 CA GLU A 110 7.450 -9.271 15.595 1.00 1.22 C ATOM 1678 C GLU A 110 7.373 -9.956 14.234 1.00 44.12 C ATOM 1679 O GLU A 110 8.300 -9.867 13.429 1.00 24.14 O ATOM 1680 CB GLU A 110 8.150 -10.187 16.601 1.00 61.21 C ATOM 1681 CG GLU A 110 9.623 -9.868 16.793 1.00 42.24 C ATOM 1682 CD GLU A 110 10.078 -10.051 18.228 1.00 52.44 C ATOM 1683 OE1 GLU A 110 9.359 -9.592 19.140 1.00 34.10 O ATOM 1684 OE2 GLU A 110 11.152 -10.651 18.438 1.00 31.44 O ATOM 0 H GLU A 110 5.722 -9.572 16.746 1.00 65.11 H new ATOM 0 HA GLU A 110 8.028 -8.353 15.488 1.00 1.22 H new ATOM 0 HB2 GLU A 110 7.642 -10.112 17.563 1.00 61.21 H new ATOM 0 HB3 GLU A 110 8.051 -11.220 16.269 1.00 61.21 H new ATOM 0 HG2 GLU A 110 10.218 -10.510 16.143 1.00 42.24 H new ATOM 0 HG3 GLU A 110 9.811 -8.840 16.485 1.00 42.24 H new ATOM 1691 N ALA A 111 6.262 -10.640 13.984 1.00 54.31 N ATOM 1692 CA ALA A 111 6.062 -11.339 12.721 1.00 44.14 C ATOM 1693 C ALA A 111 5.889 -10.354 11.569 1.00 12.15 C ATOM 1694 O ALA A 111 6.594 -10.428 10.563 1.00 24.55 O ATOM 1695 CB ALA A 111 4.857 -12.263 12.813 1.00 23.21 C ATOM 0 H ALA A 111 5.486 -10.725 14.640 1.00 54.31 H new ATOM 0 HA ALA A 111 6.951 -11.938 12.522 1.00 44.14 H new ATOM 0 HB1 ALA A 111 4.720 -12.778 11.862 1.00 23.21 H new ATOM 0 HB2 ALA A 111 5.020 -12.996 13.603 1.00 23.21 H new ATOM 0 HB3 ALA A 111 3.966 -11.678 13.040 1.00 23.21 H new ATOM 1701 N VAL A 112 4.944 -9.431 11.724 1.00 63.25 N ATOM 1702 CA VAL A 112 4.678 -8.431 10.697 1.00 42.22 C ATOM 1703 C VAL A 112 5.963 -7.734 10.262 1.00 12.04 C ATOM 1704 O VAL A 112 6.147 -7.427 9.085 1.00 13.11 O ATOM 1705 CB VAL A 112 3.675 -7.372 11.191 1.00 31.05 C ATOM 1706 CG1 VAL A 112 3.695 -6.152 10.284 1.00 43.41 C ATOM 1707 CG2 VAL A 112 2.275 -7.962 11.274 1.00 63.34 C ATOM 0 H VAL A 112 4.351 -9.356 12.550 1.00 63.25 H new ATOM 0 HA VAL A 112 4.248 -8.959 9.846 1.00 42.22 H new ATOM 0 HB VAL A 112 3.971 -7.056 12.191 1.00 31.05 H new ATOM 0 HG11 VAL A 112 2.980 -5.415 10.649 1.00 43.41 H new ATOM 0 HG12 VAL A 112 4.694 -5.717 10.281 1.00 43.41 H new ATOM 0 HG13 VAL A 112 3.425 -6.448 9.270 1.00 43.41 H new ATOM 0 HG21 VAL A 112 1.579 -7.200 11.625 1.00 63.34 H new ATOM 0 HG22 VAL A 112 1.967 -8.308 10.287 1.00 63.34 H new ATOM 0 HG23 VAL A 112 2.275 -8.801 11.969 1.00 63.34 H new ATOM 1717 N ALA A 113 6.849 -7.488 11.221 1.00 2.35 N ATOM 1718 CA ALA A 113 8.118 -6.829 10.938 1.00 64.31 C ATOM 1719 C ALA A 113 9.153 -7.827 10.428 1.00 33.33 C ATOM 1720 O ALA A 113 10.055 -7.469 9.670 1.00 22.24 O ATOM 1721 CB ALA A 113 8.634 -6.120 12.181 1.00 3.11 C ATOM 0 H ALA A 113 6.711 -7.735 12.201 1.00 2.35 H new ATOM 0 HA ALA A 113 7.948 -6.089 10.156 1.00 64.31 H new ATOM 0 HB1 ALA A 113 9.582 -5.632 11.955 1.00 3.11 H new ATOM 0 HB2 ALA A 113 7.909 -5.372 12.501 1.00 3.11 H new ATOM 0 HB3 ALA A 113 8.781 -6.847 12.980 1.00 3.11 H new ATOM 1727 N LEU A 114 9.017 -9.080 10.849 1.00 14.11 N ATOM 1728 CA LEU A 114 9.940 -10.131 10.436 1.00 43.45 C ATOM 1729 C LEU A 114 9.942 -10.288 8.918 1.00 31.13 C ATOM 1730 O LEU A 114 10.989 -10.499 8.307 1.00 42.04 O ATOM 1731 CB LEU A 114 9.564 -11.457 11.097 1.00 33.41 C ATOM 1732 CG LEU A 114 10.355 -12.684 10.640 1.00 12.41 C ATOM 1733 CD1 LEU A 114 11.739 -12.691 11.270 1.00 41.34 C ATOM 1734 CD2 LEU A 114 9.604 -13.961 10.984 1.00 33.53 C ATOM 0 H LEU A 114 8.276 -9.393 11.476 1.00 14.11 H new ATOM 0 HA LEU A 114 10.943 -9.846 10.755 1.00 43.45 H new ATOM 0 HB2 LEU A 114 9.688 -11.351 12.175 1.00 33.41 H new ATOM 0 HB3 LEU A 114 8.506 -11.643 10.915 1.00 33.41 H new ATOM 0 HG LEU A 114 10.471 -12.635 9.557 1.00 12.41 H new ATOM 0 HD11 LEU A 114 12.287 -13.571 10.934 1.00 41.34 H new ATOM 0 HD12 LEU A 114 12.279 -11.792 10.973 1.00 41.34 H new ATOM 0 HD13 LEU A 114 11.644 -12.715 12.356 1.00 41.34 H new ATOM 0 HD21 LEU A 114 10.182 -14.824 10.652 1.00 33.53 H new ATOM 0 HD22 LEU A 114 9.456 -14.017 12.063 1.00 33.53 H new ATOM 0 HD23 LEU A 114 8.635 -13.959 10.485 1.00 33.53 H new ATOM 1746 N VAL A 115 8.761 -10.182 8.316 1.00 25.33 N ATOM 1747 CA VAL A 115 8.627 -10.310 6.870 1.00 13.51 C ATOM 1748 C VAL A 115 9.053 -9.028 6.164 1.00 54.55 C ATOM 1749 O VAL A 115 9.616 -9.068 5.070 1.00 14.02 O ATOM 1750 CB VAL A 115 7.178 -10.647 6.469 1.00 65.01 C ATOM 1751 CG1 VAL A 115 6.225 -9.564 6.949 1.00 11.32 C ATOM 1752 CG2 VAL A 115 7.073 -10.832 4.963 1.00 72.43 C ATOM 0 H VAL A 115 7.884 -10.008 8.807 1.00 25.33 H new ATOM 0 HA VAL A 115 9.281 -11.126 6.562 1.00 13.51 H new ATOM 0 HB VAL A 115 6.895 -11.584 6.948 1.00 65.01 H new ATOM 0 HG11 VAL A 115 5.207 -9.820 6.656 1.00 11.32 H new ATOM 0 HG12 VAL A 115 6.282 -9.485 8.035 1.00 11.32 H new ATOM 0 HG13 VAL A 115 6.503 -8.610 6.501 1.00 11.32 H new ATOM 0 HG21 VAL A 115 6.043 -11.070 4.697 1.00 72.43 H new ATOM 0 HG22 VAL A 115 7.375 -9.912 4.462 1.00 72.43 H new ATOM 0 HG23 VAL A 115 7.726 -11.647 4.650 1.00 72.43 H new ATOM 1762 N GLU A 116 8.780 -7.891 6.797 1.00 40.34 N ATOM 1763 CA GLU A 116 9.135 -6.596 6.227 1.00 22.15 C ATOM 1764 C GLU A 116 10.613 -6.555 5.849 1.00 71.23 C ATOM 1765 O GLU A 116 11.014 -5.818 4.948 1.00 55.30 O ATOM 1766 CB GLU A 116 8.820 -5.474 7.219 1.00 25.34 C ATOM 1767 CG GLU A 116 7.713 -4.544 6.755 1.00 74.03 C ATOM 1768 CD GLU A 116 7.278 -3.570 7.833 1.00 44.04 C ATOM 1769 OE1 GLU A 116 8.092 -2.703 8.212 1.00 4.34 O ATOM 1770 OE2 GLU A 116 6.123 -3.675 8.296 1.00 24.42 O ATOM 0 H GLU A 116 8.315 -7.840 7.703 1.00 40.34 H new ATOM 0 HA GLU A 116 8.542 -6.450 5.324 1.00 22.15 H new ATOM 0 HB2 GLU A 116 8.536 -5.915 8.175 1.00 25.34 H new ATOM 0 HB3 GLU A 116 9.724 -4.890 7.393 1.00 25.34 H new ATOM 0 HG2 GLU A 116 8.054 -3.986 5.883 1.00 74.03 H new ATOM 0 HG3 GLU A 116 6.855 -5.137 6.438 1.00 74.03 H new ATOM 1777 N ARG A 117 11.418 -7.352 6.543 1.00 30.35 N ATOM 1778 CA ARG A 117 12.851 -7.406 6.282 1.00 63.40 C ATOM 1779 C ARG A 117 13.135 -8.092 4.949 1.00 62.22 C ATOM 1780 O ARG A 117 13.891 -7.579 4.124 1.00 14.10 O ATOM 1781 CB ARG A 117 13.570 -8.147 7.412 1.00 52.44 C ATOM 1782 CG ARG A 117 13.031 -7.818 8.794 1.00 33.44 C ATOM 1783 CD ARG A 117 14.156 -7.558 9.784 1.00 70.34 C ATOM 1784 NE ARG A 117 14.358 -6.131 10.020 1.00 63.33 N ATOM 1785 CZ ARG A 117 15.470 -5.623 10.540 1.00 13.20 C ATOM 1786 NH1 ARG A 117 16.474 -6.421 10.876 1.00 13.23 N ATOM 1787 NH2 ARG A 117 15.579 -4.313 10.724 1.00 34.34 N ATOM 0 H ARG A 117 11.102 -7.970 7.291 1.00 30.35 H new ATOM 0 HA ARG A 117 13.224 -6.383 6.232 1.00 63.40 H new ATOM 0 HB2 ARG A 117 13.484 -9.220 7.244 1.00 52.44 H new ATOM 0 HB3 ARG A 117 14.632 -7.903 7.378 1.00 52.44 H new ATOM 0 HG2 ARG A 117 12.387 -6.941 8.735 1.00 33.44 H new ATOM 0 HG3 ARG A 117 12.414 -8.643 9.151 1.00 33.44 H new ATOM 0 HD2 ARG A 117 13.930 -8.053 10.728 1.00 70.34 H new ATOM 0 HD3 ARG A 117 15.080 -7.997 9.407 1.00 70.34 H new ATOM 0 HE ARG A 117 13.605 -5.490 9.772 1.00 63.33 H new ATOM 0 HH11 ARG A 117 16.394 -7.428 10.735 1.00 13.23 H new ATOM 0 HH12 ARG A 117 17.326 -6.028 11.275 1.00 13.23 H new ATOM 0 HH21 ARG A 117 14.809 -3.696 10.466 1.00 34.34 H new ATOM 0 HH22 ARG A 117 16.433 -3.923 11.123 1.00 34.34 H new ATOM 1801 N ALA A 118 12.525 -9.255 4.746 1.00 54.05 N ATOM 1802 CA ALA A 118 12.710 -10.010 3.513 1.00 64.13 C ATOM 1803 C ALA A 118 12.330 -9.175 2.295 1.00 43.13 C ATOM 1804 O ALA A 118 12.976 -9.256 1.249 1.00 0.54 O ATOM 1805 CB ALA A 118 11.893 -11.293 3.551 1.00 1.13 C ATOM 0 H ALA A 118 11.898 -9.695 5.420 1.00 54.05 H new ATOM 0 HA ALA A 118 13.766 -10.267 3.430 1.00 64.13 H new ATOM 0 HB1 ALA A 118 12.041 -11.846 2.624 1.00 1.13 H new ATOM 0 HB2 ALA A 118 12.215 -11.905 4.394 1.00 1.13 H new ATOM 0 HB3 ALA A 118 10.837 -11.049 3.663 1.00 1.13 H new ATOM 1811 N ILE A 119 11.279 -8.375 2.437 1.00 42.43 N ATOM 1812 CA ILE A 119 10.814 -7.525 1.348 1.00 43.34 C ATOM 1813 C ILE A 119 11.670 -6.268 1.227 1.00 31.21 C ATOM 1814 O ILE A 119 12.134 -5.923 0.141 1.00 53.55 O ATOM 1815 CB ILE A 119 9.343 -7.114 1.543 1.00 10.51 C ATOM 1816 CG1 ILE A 119 8.442 -8.350 1.550 1.00 32.05 C ATOM 1817 CG2 ILE A 119 8.914 -6.145 0.451 1.00 60.21 C ATOM 1818 CD1 ILE A 119 7.055 -8.083 2.092 1.00 74.54 C ATOM 0 H ILE A 119 10.733 -8.298 3.295 1.00 42.43 H new ATOM 0 HA ILE A 119 10.901 -8.110 0.432 1.00 43.34 H new ATOM 0 HB ILE A 119 9.246 -6.612 2.506 1.00 10.51 H new ATOM 0 HG12 ILE A 119 8.358 -8.735 0.534 1.00 32.05 H new ATOM 0 HG13 ILE A 119 8.913 -9.130 2.148 1.00 32.05 H new ATOM 0 HG21 ILE A 119 7.872 -5.864 0.603 1.00 60.21 H new ATOM 0 HG22 ILE A 119 9.540 -5.253 0.490 1.00 60.21 H new ATOM 0 HG23 ILE A 119 9.023 -6.623 -0.523 1.00 60.21 H new ATOM 0 HD11 ILE A 119 6.471 -9.003 2.067 1.00 74.54 H new ATOM 0 HD12 ILE A 119 7.128 -7.727 3.120 1.00 74.54 H new ATOM 0 HD13 ILE A 119 6.565 -7.326 1.480 1.00 74.54 H new ATOM 1830 N SER A 120 11.876 -5.589 2.351 1.00 23.40 N ATOM 1831 CA SER A 120 12.675 -4.370 2.372 1.00 50.54 C ATOM 1832 C SER A 120 14.092 -4.640 1.876 1.00 4.12 C ATOM 1833 O SER A 120 14.758 -3.749 1.347 1.00 70.11 O ATOM 1834 CB SER A 120 12.719 -3.787 3.786 1.00 62.43 C ATOM 1835 OG SER A 120 13.303 -2.496 3.788 1.00 70.23 O ATOM 0 H SER A 120 11.500 -5.863 3.259 1.00 23.40 H new ATOM 0 HA SER A 120 12.207 -3.647 1.704 1.00 50.54 H new ATOM 0 HB2 SER A 120 11.709 -3.733 4.192 1.00 62.43 H new ATOM 0 HB3 SER A 120 13.290 -4.449 4.438 1.00 62.43 H new ATOM 0 HG SER A 120 13.318 -2.145 4.703 1.00 70.23 H new ATOM 1841 N HIS A 121 14.548 -5.876 2.052 1.00 63.10 N ATOM 1842 CA HIS A 121 15.887 -6.266 1.623 1.00 52.43 C ATOM 1843 C HIS A 121 16.098 -5.946 0.146 1.00 43.31 C ATOM 1844 O HIS A 121 17.226 -5.724 -0.296 1.00 71.42 O ATOM 1845 CB HIS A 121 16.111 -7.758 1.870 1.00 12.45 C ATOM 1846 CG HIS A 121 17.546 -8.173 1.765 1.00 32.51 C ATOM 1847 ND1 HIS A 121 18.100 -8.679 0.608 1.00 33.31 N ATOM 1848 CD2 HIS A 121 18.542 -8.155 2.681 1.00 45.43 C ATOM 1849 CE1 HIS A 121 19.375 -8.955 0.817 1.00 34.21 C ATOM 1850 NE2 HIS A 121 19.669 -8.645 2.067 1.00 74.51 N ATOM 0 H HIS A 121 14.010 -6.625 2.489 1.00 63.10 H new ATOM 0 HA HIS A 121 16.609 -5.697 2.208 1.00 52.43 H new ATOM 0 HB2 HIS A 121 15.739 -8.014 2.862 1.00 12.45 H new ATOM 0 HB3 HIS A 121 15.523 -8.329 1.152 1.00 12.45 H new ATOM 0 HD2 HIS A 121 18.465 -7.818 3.704 1.00 45.43 H new ATOM 0 HE1 HIS A 121 20.060 -9.364 0.090 1.00 34.21 H new ATOM 0 HE2 HIS A 121 20.584 -8.752 2.505 1.00 74.51 H new ATOM 1858 N TYR A 122 15.007 -5.924 -0.612 1.00 4.03 N ATOM 1859 CA TYR A 122 15.074 -5.635 -2.039 1.00 51.52 C ATOM 1860 C TYR A 122 14.633 -4.203 -2.326 1.00 14.52 C ATOM 1861 O TYR A 122 15.040 -3.604 -3.321 1.00 70.10 O ATOM 1862 CB TYR A 122 14.199 -6.616 -2.821 1.00 40.21 C ATOM 1863 CG TYR A 122 14.368 -8.055 -2.389 1.00 44.13 C ATOM 1864 CD1 TYR A 122 15.600 -8.690 -2.490 1.00 21.31 C ATOM 1865 CD2 TYR A 122 13.297 -8.779 -1.882 1.00 21.43 C ATOM 1866 CE1 TYR A 122 15.760 -10.005 -2.097 1.00 74.22 C ATOM 1867 CE2 TYR A 122 13.448 -10.094 -1.485 1.00 72.13 C ATOM 1868 CZ TYR A 122 14.681 -10.703 -1.595 1.00 53.42 C ATOM 1869 OH TYR A 122 14.835 -12.013 -1.203 1.00 15.43 O ATOM 0 H TYR A 122 14.066 -6.103 -0.262 1.00 4.03 H new ATOM 0 HA TYR A 122 16.110 -5.748 -2.358 1.00 51.52 H new ATOM 0 HB2 TYR A 122 13.154 -6.331 -2.704 1.00 40.21 H new ATOM 0 HB3 TYR A 122 14.435 -6.534 -3.882 1.00 40.21 H new ATOM 0 HD1 TYR A 122 16.447 -8.146 -2.882 1.00 21.31 H new ATOM 0 HD2 TYR A 122 12.330 -8.306 -1.797 1.00 21.43 H new ATOM 0 HE1 TYR A 122 16.724 -10.484 -2.182 1.00 74.22 H new ATOM 0 HE2 TYR A 122 12.605 -10.642 -1.091 1.00 72.13 H new ATOM 0 HH TYR A 122 14.728 -12.602 -1.979 1.00 15.43 H new