USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=22 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 Set 1.1: A 84 HIS : no HD1:sc= -5.57! K(o=-4.8!,f=-2.8) USER MOD Set 1.2: A 104 LYS NZ :NH3+ -158:sc= 0.766 (180deg=-0.0446) USER MOD Set 2.1: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 96 GLN : amide:sc= -0.221 K(o=-0.22,f=-2.9!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0.00381 USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.339 USER MOD Single : A 30 CYS SG : rot 160:sc= -0.774 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 14:sc= 0.119! USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) 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+ -117:sc= -0.528 (180deg=-2.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 53 SER OG : rot -170:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -6.96! C(o=-7!,f=-5.4!) USER MOD Single : A 70 LYS NZ :NH3+ -131:sc= -1.19 (180deg=-6.15!) USER MOD Single : A 71 GLN : amide:sc=-0.00637 X(o=-0.0064,f=-0.094) USER MOD Single : A 73 HIS : no HE2:sc= -1.78 K(o=-1.8,f=-3.1) USER MOD Single : A 75 MET CE :methyl -147:sc= -0.282 (180deg=-2.59!) USER MOD Single : A 81 MET CE :methyl 150:sc= -4.39! (180deg=-5.43!) USER MOD Single : A 82 THR OG1 : rot 150:sc= -0.794 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 90:sc= -2.76 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot -90:sc= -2.65! 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 -81:sc= 0.534 USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 4.159 -3.289 -1.116 1.00 63.22 N ATOM 36 CA ARG A 3 5.194 -3.542 -2.112 1.00 2.45 C ATOM 37 C ARG A 3 5.468 -5.037 -2.244 1.00 51.22 C ATOM 38 O ARG A 3 5.789 -5.526 -3.326 1.00 42.13 O ATOM 39 CB ARG A 3 6.483 -2.808 -1.736 1.00 11.23 C ATOM 40 CG ARG A 3 7.301 -3.520 -0.671 1.00 61.23 C ATOM 41 CD ARG A 3 6.609 -3.482 0.682 1.00 75.30 C ATOM 42 NE ARG A 3 7.492 -2.990 1.735 1.00 21.25 N ATOM 43 CZ ARG A 3 7.156 -2.957 3.020 1.00 3.33 C ATOM 44 NH1 ARG A 3 5.963 -3.385 3.408 1.00 1.04 N ATOM 45 NH2 ARG A 3 8.015 -2.495 3.920 1.00 43.31 N ATOM 0 HA ARG A 3 4.838 -3.169 -3.072 1.00 2.45 H new ATOM 0 HB2 ARG A 3 7.095 -2.685 -2.630 1.00 11.23 H new ATOM 0 HB3 ARG A 3 6.232 -1.808 -1.381 1.00 11.23 H new ATOM 0 HG2 ARG A 3 7.464 -4.556 -0.968 1.00 61.23 H new ATOM 0 HG3 ARG A 3 8.283 -3.053 -0.592 1.00 61.23 H new ATOM 0 HD2 ARG A 3 5.728 -2.844 0.620 1.00 75.30 H new ATOM 0 HD3 ARG A 3 6.261 -4.482 0.939 1.00 75.30 H new ATOM 0 HE ARG A 3 8.418 -2.653 1.470 1.00 21.25 H new ATOM 0 HH11 ARG A 3 5.300 -3.741 2.719 1.00 1.04 H new ATOM 0 HH12 ARG A 3 5.708 -3.358 4.395 1.00 1.04 H new ATOM 0 HH21 ARG A 3 8.934 -2.165 3.625 1.00 43.31 H new ATOM 0 HH22 ARG A 3 7.756 -2.470 4.906 1.00 43.31 H new ATOM 59 N GLY A 4 5.338 -5.758 -1.134 1.00 44.15 N ATOM 60 CA GLY A 4 5.576 -7.189 -1.148 1.00 71.51 C ATOM 61 C GLY A 4 4.374 -7.981 -0.672 1.00 21.10 C ATOM 62 O GLY A 4 3.918 -7.809 0.459 1.00 61.41 O ATOM 0 H GLY A 4 5.072 -5.376 -0.226 1.00 44.15 H new ATOM 0 HA2 GLY A 4 5.836 -7.501 -2.160 1.00 71.51 H new ATOM 0 HA3 GLY A 4 6.433 -7.418 -0.514 1.00 71.51 H new ATOM 66 N ILE A 5 3.859 -8.849 -1.536 1.00 40.24 N ATOM 67 CA ILE A 5 2.703 -9.669 -1.198 1.00 15.24 C ATOM 68 C ILE A 5 3.114 -10.890 -0.382 1.00 2.42 C ATOM 69 O ILE A 5 4.151 -11.501 -0.640 1.00 31.42 O ATOM 70 CB ILE A 5 1.955 -10.137 -2.460 1.00 62.21 C ATOM 71 CG1 ILE A 5 1.286 -8.949 -3.154 1.00 4.22 C ATOM 72 CG2 ILE A 5 0.924 -11.198 -2.103 1.00 5.44 C ATOM 73 CD1 ILE A 5 1.018 -9.180 -4.624 1.00 72.33 C ATOM 0 H ILE A 5 4.225 -9.002 -2.476 1.00 40.24 H new ATOM 0 HA ILE A 5 2.037 -9.044 -0.602 1.00 15.24 H new ATOM 0 HB ILE A 5 2.676 -10.577 -3.149 1.00 62.21 H new ATOM 0 HG12 ILE A 5 0.344 -8.729 -2.652 1.00 4.22 H new ATOM 0 HG13 ILE A 5 1.920 -8.069 -3.043 1.00 4.22 H new ATOM 0 HG21 ILE A 5 0.404 -11.518 -3.006 1.00 5.44 H new ATOM 0 HG22 ILE A 5 1.424 -12.054 -1.650 1.00 5.44 H new ATOM 0 HG23 ILE A 5 0.204 -10.783 -1.398 1.00 5.44 H new ATOM 0 HD11 ILE A 5 0.543 -8.297 -5.050 1.00 72.33 H new ATOM 0 HD12 ILE A 5 1.959 -9.370 -5.140 1.00 72.33 H new ATOM 0 HD13 ILE A 5 0.359 -10.040 -4.743 1.00 72.33 H new ATOM 85 N VAL A 6 2.294 -11.240 0.604 1.00 72.23 N ATOM 86 CA VAL A 6 2.571 -12.390 1.456 1.00 34.12 C ATOM 87 C VAL A 6 1.426 -13.397 1.410 1.00 45.33 C ATOM 88 O VAL A 6 0.275 -13.056 1.682 1.00 24.14 O ATOM 89 CB VAL A 6 2.804 -11.962 2.917 1.00 23.32 C ATOM 90 CG1 VAL A 6 3.458 -13.087 3.705 1.00 23.20 C ATOM 91 CG2 VAL A 6 3.650 -10.699 2.973 1.00 21.23 C ATOM 0 H VAL A 6 1.433 -10.744 0.832 1.00 72.23 H new ATOM 0 HA VAL A 6 3.478 -12.857 1.072 1.00 34.12 H new ATOM 0 HB VAL A 6 1.838 -11.745 3.373 1.00 23.32 H new ATOM 0 HG11 VAL A 6 3.615 -12.766 4.735 1.00 23.20 H new ATOM 0 HG12 VAL A 6 2.811 -13.964 3.693 1.00 23.20 H new ATOM 0 HG13 VAL A 6 4.418 -13.338 3.253 1.00 23.20 H new ATOM 0 HG21 VAL A 6 3.805 -10.411 4.013 1.00 21.23 H new ATOM 0 HG22 VAL A 6 4.614 -10.886 2.501 1.00 21.23 H new ATOM 0 HG23 VAL A 6 3.138 -9.894 2.446 1.00 21.23 H new ATOM 101 N TRP A 7 1.751 -14.637 1.063 1.00 1.10 N ATOM 102 CA TRP A 7 0.750 -15.694 0.981 1.00 32.32 C ATOM 103 C TRP A 7 0.800 -16.588 2.215 1.00 30.14 C ATOM 104 O TRP A 7 1.866 -16.813 2.788 1.00 3.02 O ATOM 105 CB TRP A 7 0.965 -16.533 -0.280 1.00 4.51 C ATOM 106 CG TRP A 7 0.683 -15.783 -1.547 1.00 21.12 C ATOM 107 CD1 TRP A 7 0.178 -14.519 -1.656 1.00 11.01 C ATOM 108 CD2 TRP A 7 0.888 -16.252 -2.884 1.00 21.22 C ATOM 109 NE1 TRP A 7 0.056 -14.174 -2.980 1.00 64.05 N ATOM 110 CE2 TRP A 7 0.486 -15.220 -3.754 1.00 3.32 C ATOM 111 CE3 TRP A 7 1.374 -17.443 -3.431 1.00 12.22 C ATOM 112 CZ2 TRP A 7 0.555 -15.345 -5.139 1.00 1.23 C ATOM 113 CZ3 TRP A 7 1.441 -17.565 -4.806 1.00 22.54 C ATOM 114 CH2 TRP A 7 1.035 -16.521 -5.647 1.00 35.40 C ATOM 0 H TRP A 7 2.699 -14.935 0.834 1.00 1.10 H new ATOM 0 HA TRP A 7 -0.233 -15.225 0.934 1.00 32.32 H new ATOM 0 HB2 TRP A 7 1.995 -16.890 -0.299 1.00 4.51 H new ATOM 0 HB3 TRP A 7 0.323 -17.413 -0.236 1.00 4.51 H new ATOM 0 HD1 TRP A 7 -0.087 -13.884 -0.824 1.00 11.01 H new ATOM 0 HE1 TRP A 7 -0.297 -13.284 -3.330 1.00 64.05 H new ATOM 0 HE3 TRP A 7 1.691 -18.253 -2.791 1.00 12.22 H new ATOM 0 HZ2 TRP A 7 0.241 -14.542 -5.789 1.00 1.23 H new ATOM 0 HZ3 TRP A 7 1.813 -18.481 -5.240 1.00 22.54 H new ATOM 0 HH2 TRP A 7 1.102 -16.647 -6.718 1.00 35.40 H new ATOM 125 N VAL A 8 -0.360 -17.096 2.621 1.00 63.04 N ATOM 126 CA VAL A 8 -0.447 -17.967 3.787 1.00 51.13 C ATOM 127 C VAL A 8 -0.932 -19.359 3.398 1.00 54.21 C ATOM 128 O VAL A 8 -1.707 -19.517 2.455 1.00 74.04 O ATOM 129 CB VAL A 8 -1.394 -17.384 4.853 1.00 71.24 C ATOM 130 CG1 VAL A 8 -1.381 -18.245 6.107 1.00 42.23 C ATOM 131 CG2 VAL A 8 -1.011 -15.948 5.177 1.00 21.33 C ATOM 0 H VAL A 8 -1.252 -16.919 2.159 1.00 63.04 H new ATOM 0 HA VAL A 8 0.557 -18.039 4.204 1.00 51.13 H new ATOM 0 HB VAL A 8 -2.408 -17.384 4.453 1.00 71.24 H new ATOM 0 HG11 VAL A 8 -2.056 -17.818 6.849 1.00 42.23 H new ATOM 0 HG12 VAL A 8 -1.708 -19.255 5.858 1.00 42.23 H new ATOM 0 HG13 VAL A 8 -0.370 -18.280 6.514 1.00 42.23 H new ATOM 0 HG21 VAL A 8 -1.690 -15.552 5.932 1.00 21.33 H new ATOM 0 HG22 VAL A 8 0.010 -15.921 5.558 1.00 21.33 H new ATOM 0 HG23 VAL A 8 -1.078 -15.341 4.274 1.00 21.33 H new ATOM 141 N VAL A 9 -0.471 -20.367 4.132 1.00 54.31 N ATOM 142 CA VAL A 9 -0.859 -21.747 3.865 1.00 15.43 C ATOM 143 C VAL A 9 -0.469 -22.660 5.021 1.00 22.54 C ATOM 144 O VAL A 9 0.609 -22.521 5.599 1.00 24.22 O ATOM 145 CB VAL A 9 -0.213 -22.271 2.570 1.00 61.25 C ATOM 146 CG1 VAL A 9 1.273 -22.523 2.778 1.00 75.50 C ATOM 147 CG2 VAL A 9 -0.916 -23.535 2.098 1.00 63.22 C ATOM 0 H VAL A 9 0.172 -20.254 4.916 1.00 54.31 H new ATOM 0 HA VAL A 9 -1.943 -21.755 3.750 1.00 15.43 H new ATOM 0 HB VAL A 9 -0.323 -21.511 1.796 1.00 61.25 H new ATOM 0 HG11 VAL A 9 1.712 -22.893 1.852 1.00 75.50 H new ATOM 0 HG12 VAL A 9 1.763 -21.593 3.066 1.00 75.50 H new ATOM 0 HG13 VAL A 9 1.410 -23.264 3.566 1.00 75.50 H new ATOM 0 HG21 VAL A 9 -0.446 -23.892 1.181 1.00 63.22 H new ATOM 0 HG22 VAL A 9 -0.839 -24.303 2.868 1.00 63.22 H new ATOM 0 HG23 VAL A 9 -1.967 -23.317 1.906 1.00 63.22 H new ATOM 157 N ASP A 10 -1.352 -23.596 5.353 1.00 1.44 N ATOM 158 CA ASP A 10 -1.099 -24.535 6.440 1.00 12.31 C ATOM 159 C ASP A 10 -2.111 -25.676 6.419 1.00 53.23 C ATOM 160 O ASP A 10 -1.908 -26.687 5.746 1.00 2.22 O ATOM 161 CB ASP A 10 -1.153 -23.814 7.788 1.00 22.11 C ATOM 162 CG ASP A 10 -1.095 -24.774 8.960 1.00 11.23 C ATOM 163 OD1 ASP A 10 -0.248 -25.691 8.935 1.00 21.33 O ATOM 164 OD2 ASP A 10 -1.897 -24.607 9.903 1.00 24.01 O ATOM 0 H ASP A 10 -2.249 -23.725 4.885 1.00 1.44 H new ATOM 0 HA ASP A 10 -0.103 -24.954 6.300 1.00 12.31 H new ATOM 0 HB2 ASP A 10 -0.322 -23.112 7.855 1.00 22.11 H new ATOM 0 HB3 ASP A 10 -2.070 -23.228 7.847 1.00 22.11 H new ATOM 169 N ASP A 11 -3.201 -25.507 7.159 1.00 31.04 N ATOM 170 CA ASP A 11 -4.245 -26.523 7.226 1.00 54.33 C ATOM 171 C ASP A 11 -5.291 -26.160 8.276 1.00 44.21 C ATOM 172 O ASP A 11 -6.468 -26.492 8.135 1.00 3.32 O ATOM 173 CB ASP A 11 -3.638 -27.890 7.544 1.00 4.42 C ATOM 174 CG ASP A 11 -3.935 -28.919 6.472 1.00 65.41 C ATOM 175 OD1 ASP A 11 -3.618 -28.656 5.293 1.00 24.12 O ATOM 176 OD2 ASP A 11 -4.485 -29.988 6.811 1.00 23.22 O ATOM 0 H ASP A 11 -3.385 -24.676 7.721 1.00 31.04 H new ATOM 0 HA ASP A 11 -4.734 -26.569 6.253 1.00 54.33 H new ATOM 0 HB2 ASP A 11 -2.559 -27.788 7.656 1.00 4.42 H new ATOM 0 HB3 ASP A 11 -4.026 -28.243 8.500 1.00 4.42 H new ATOM 181 N ASP A 12 -4.852 -25.478 9.328 1.00 12.22 N ATOM 182 CA ASP A 12 -5.750 -25.070 10.403 1.00 44.42 C ATOM 183 C ASP A 12 -6.320 -23.680 10.136 1.00 2.02 C ATOM 184 O ASP A 12 -5.696 -22.861 9.462 1.00 63.04 O ATOM 185 CB ASP A 12 -5.014 -25.084 11.744 1.00 50.04 C ATOM 186 CG ASP A 12 -5.344 -26.310 12.572 1.00 61.22 C ATOM 187 OD1 ASP A 12 -5.695 -27.350 11.977 1.00 32.31 O ATOM 188 OD2 ASP A 12 -5.252 -26.229 13.815 1.00 65.51 O ATOM 0 H ASP A 12 -3.881 -25.196 9.460 1.00 12.22 H new ATOM 0 HA ASP A 12 -6.576 -25.780 10.443 1.00 44.42 H new ATOM 0 HB2 ASP A 12 -3.939 -25.048 11.566 1.00 50.04 H new ATOM 0 HB3 ASP A 12 -5.274 -24.188 12.307 1.00 50.04 H new ATOM 193 N SER A 13 -7.510 -23.422 10.669 1.00 3.24 N ATOM 194 CA SER A 13 -8.167 -22.133 10.485 1.00 24.10 C ATOM 195 C SER A 13 -7.535 -21.069 11.377 1.00 10.22 C ATOM 196 O SER A 13 -7.182 -19.985 10.914 1.00 45.51 O ATOM 197 CB SER A 13 -9.661 -22.250 10.791 1.00 20.11 C ATOM 198 OG SER A 13 -10.434 -21.547 9.834 1.00 72.32 O ATOM 0 H SER A 13 -8.039 -24.088 11.232 1.00 3.24 H new ATOM 0 HA SER A 13 -8.039 -21.833 9.445 1.00 24.10 H new ATOM 0 HB2 SER A 13 -9.953 -23.300 10.798 1.00 20.11 H new ATOM 0 HB3 SER A 13 -9.863 -21.856 11.787 1.00 20.11 H new ATOM 0 HG SER A 13 -11.385 -21.639 10.051 1.00 72.32 H new ATOM 204 N SER A 14 -7.397 -21.387 12.660 1.00 24.23 N ATOM 205 CA SER A 14 -6.811 -20.458 13.620 1.00 74.03 C ATOM 206 C SER A 14 -5.380 -20.103 13.228 1.00 12.33 C ATOM 207 O SER A 14 -4.833 -19.097 13.682 1.00 63.23 O ATOM 208 CB SER A 14 -6.833 -21.062 15.025 1.00 23.21 C ATOM 209 OG SER A 14 -6.440 -22.424 15.001 1.00 51.41 O ATOM 0 H SER A 14 -7.683 -22.281 13.059 1.00 24.23 H new ATOM 0 HA SER A 14 -7.407 -19.545 13.616 1.00 74.03 H new ATOM 0 HB2 SER A 14 -6.165 -20.499 15.677 1.00 23.21 H new ATOM 0 HB3 SER A 14 -7.835 -20.977 15.445 1.00 23.21 H new ATOM 0 HG SER A 14 -6.461 -22.787 15.911 1.00 51.41 H new ATOM 215 N ILE A 15 -4.781 -20.935 12.384 1.00 64.12 N ATOM 216 CA ILE A 15 -3.414 -20.709 11.930 1.00 20.02 C ATOM 217 C ILE A 15 -3.373 -19.694 10.793 1.00 71.34 C ATOM 218 O ILE A 15 -2.702 -18.666 10.888 1.00 35.30 O ATOM 219 CB ILE A 15 -2.753 -22.018 11.459 1.00 33.13 C ATOM 220 CG1 ILE A 15 -2.716 -23.035 12.602 1.00 65.45 C ATOM 221 CG2 ILE A 15 -1.350 -21.746 10.939 1.00 41.32 C ATOM 222 CD1 ILE A 15 -1.836 -22.613 13.758 1.00 75.31 C ATOM 0 H ILE A 15 -5.220 -21.772 12.000 1.00 64.12 H new ATOM 0 HA ILE A 15 -2.859 -20.318 12.783 1.00 20.02 H new ATOM 0 HB ILE A 15 -3.346 -22.435 10.645 1.00 33.13 H new ATOM 0 HG12 ILE A 15 -3.730 -23.196 12.968 1.00 65.45 H new ATOM 0 HG13 ILE A 15 -2.361 -23.991 12.216 1.00 65.45 H new ATOM 0 HG21 ILE A 15 -0.896 -22.681 10.610 1.00 41.32 H new ATOM 0 HG22 ILE A 15 -1.401 -21.052 10.100 1.00 41.32 H new ATOM 0 HG23 ILE A 15 -0.746 -21.309 11.734 1.00 41.32 H new ATOM 0 HD11 ILE A 15 -1.858 -23.381 14.531 1.00 75.31 H new ATOM 0 HD12 ILE A 15 -0.813 -22.480 13.407 1.00 75.31 H new ATOM 0 HD13 ILE A 15 -2.203 -21.673 14.170 1.00 75.31 H new ATOM 234 N ARG A 16 -4.096 -19.990 9.717 1.00 14.55 N ATOM 235 CA ARG A 16 -4.143 -19.103 8.561 1.00 15.33 C ATOM 236 C ARG A 16 -4.881 -17.810 8.897 1.00 12.14 C ATOM 237 O ARG A 16 -4.486 -16.728 8.463 1.00 14.22 O ATOM 238 CB ARG A 16 -4.826 -19.801 7.384 1.00 54.22 C ATOM 239 CG ARG A 16 -4.217 -21.150 7.039 1.00 43.45 C ATOM 240 CD ARG A 16 -5.078 -21.912 6.044 1.00 61.02 C ATOM 241 NE ARG A 16 -6.072 -22.750 6.710 1.00 44.24 N ATOM 242 CZ ARG A 16 -7.121 -23.279 6.090 1.00 1.31 C ATOM 243 NH1 ARG A 16 -7.312 -23.058 4.797 1.00 62.13 N ATOM 244 NH2 ARG A 16 -7.982 -24.031 6.764 1.00 5.43 N ATOM 0 H ARG A 16 -4.657 -20.837 9.622 1.00 14.55 H new ATOM 0 HA ARG A 16 -3.119 -18.855 8.283 1.00 15.33 H new ATOM 0 HB2 ARG A 16 -5.882 -19.938 7.617 1.00 54.22 H new ATOM 0 HB3 ARG A 16 -4.774 -19.154 6.509 1.00 54.22 H new ATOM 0 HG2 ARG A 16 -3.220 -21.005 6.623 1.00 43.45 H new ATOM 0 HG3 ARG A 16 -4.100 -21.741 7.948 1.00 43.45 H new ATOM 0 HD2 ARG A 16 -5.582 -21.205 5.385 1.00 61.02 H new ATOM 0 HD3 ARG A 16 -4.441 -22.535 5.416 1.00 61.02 H new ATOM 0 HE ARG A 16 -5.954 -22.939 7.705 1.00 44.24 H new ATOM 0 HH11 ARG A 16 -6.653 -22.480 4.275 1.00 62.13 H new ATOM 0 HH12 ARG A 16 -8.118 -23.466 4.324 1.00 62.13 H new ATOM 0 HH21 ARG A 16 -7.839 -24.203 7.759 1.00 5.43 H new ATOM 0 HH22 ARG A 16 -8.787 -24.437 6.287 1.00 5.43 H new ATOM 258 N TRP A 17 -5.953 -17.931 9.672 1.00 72.12 N ATOM 259 CA TRP A 17 -6.746 -16.772 10.065 1.00 34.25 C ATOM 260 C TRP A 17 -5.856 -15.668 10.625 1.00 34.14 C ATOM 261 O TRP A 17 -5.734 -14.596 10.033 1.00 45.00 O ATOM 262 CB TRP A 17 -7.795 -17.175 11.104 1.00 42.12 C ATOM 263 CG TRP A 17 -8.313 -16.018 11.904 1.00 20.52 C ATOM 264 CD1 TRP A 17 -9.229 -15.089 11.503 1.00 75.04 C ATOM 265 CD2 TRP A 17 -7.943 -15.668 13.242 1.00 21.11 C ATOM 266 NE1 TRP A 17 -9.451 -14.182 12.511 1.00 55.25 N ATOM 267 CE2 TRP A 17 -8.675 -14.516 13.589 1.00 50.55 C ATOM 268 CE3 TRP A 17 -7.066 -16.217 14.182 1.00 53.20 C ATOM 269 CZ2 TRP A 17 -8.555 -13.904 14.833 1.00 5.34 C ATOM 270 CZ3 TRP A 17 -6.948 -15.608 15.417 1.00 63.21 C ATOM 271 CH2 TRP A 17 -7.689 -14.462 15.734 1.00 22.11 C ATOM 0 H TRP A 17 -6.293 -18.819 10.040 1.00 72.12 H new ATOM 0 HA TRP A 17 -7.251 -16.390 9.178 1.00 34.25 H new ATOM 0 HB2 TRP A 17 -8.630 -17.660 10.598 1.00 42.12 H new ATOM 0 HB3 TRP A 17 -7.361 -17.911 11.781 1.00 42.12 H new ATOM 0 HD1 TRP A 17 -9.709 -15.070 10.536 1.00 75.04 H new ATOM 0 HE1 TRP A 17 -10.090 -13.388 12.464 1.00 55.25 H new ATOM 0 HE3 TRP A 17 -6.491 -17.101 13.947 1.00 53.20 H new ATOM 0 HZ2 TRP A 17 -9.125 -13.020 15.079 1.00 5.34 H new ATOM 0 HZ3 TRP A 17 -6.273 -16.023 16.151 1.00 63.21 H new ATOM 0 HH2 TRP A 17 -7.575 -14.010 16.708 1.00 22.11 H new ATOM 282 N VAL A 18 -5.237 -15.937 11.770 1.00 4.12 N ATOM 283 CA VAL A 18 -4.356 -14.966 12.409 1.00 33.03 C ATOM 284 C VAL A 18 -3.362 -14.384 11.410 1.00 33.53 C ATOM 285 O VAL A 18 -3.189 -13.168 11.326 1.00 12.25 O ATOM 286 CB VAL A 18 -3.580 -15.597 13.580 1.00 35.55 C ATOM 287 CG1 VAL A 18 -2.981 -16.932 13.166 1.00 62.51 C ATOM 288 CG2 VAL A 18 -2.499 -14.649 14.076 1.00 53.12 C ATOM 0 H VAL A 18 -5.329 -16.819 12.274 1.00 4.12 H new ATOM 0 HA VAL A 18 -4.991 -14.167 12.792 1.00 33.03 H new ATOM 0 HB VAL A 18 -4.276 -15.777 14.399 1.00 35.55 H new ATOM 0 HG11 VAL A 18 -2.436 -17.363 14.006 1.00 62.51 H new ATOM 0 HG12 VAL A 18 -3.779 -17.611 12.864 1.00 62.51 H new ATOM 0 HG13 VAL A 18 -2.298 -16.781 12.330 1.00 62.51 H new ATOM 0 HG21 VAL A 18 -1.961 -15.112 14.903 1.00 53.12 H new ATOM 0 HG22 VAL A 18 -1.803 -14.435 13.265 1.00 53.12 H new ATOM 0 HG23 VAL A 18 -2.957 -13.720 14.415 1.00 53.12 H new ATOM 298 N LEU A 19 -2.711 -15.261 10.654 1.00 52.03 N ATOM 299 CA LEU A 19 -1.733 -14.835 9.658 1.00 15.03 C ATOM 300 C LEU A 19 -2.390 -13.973 8.585 1.00 43.14 C ATOM 301 O LEU A 19 -1.721 -13.193 7.908 1.00 41.33 O ATOM 302 CB LEU A 19 -1.068 -16.053 9.015 1.00 51.35 C ATOM 303 CG LEU A 19 0.458 -16.101 9.089 1.00 64.01 C ATOM 304 CD1 LEU A 19 0.997 -17.252 8.253 1.00 4.50 C ATOM 305 CD2 LEU A 19 1.057 -14.779 8.630 1.00 71.54 C ATOM 0 H LEU A 19 -2.842 -16.271 10.711 1.00 52.03 H new ATOM 0 HA LEU A 19 -0.973 -14.238 10.162 1.00 15.03 H new ATOM 0 HB2 LEU A 19 -1.463 -16.951 9.490 1.00 51.35 H new ATOM 0 HB3 LEU A 19 -1.362 -16.091 7.966 1.00 51.35 H new ATOM 0 HG LEU A 19 0.747 -16.266 10.127 1.00 64.01 H new ATOM 0 HD11 LEU A 19 2.085 -17.270 8.318 1.00 4.50 H new ATOM 0 HD12 LEU A 19 0.595 -18.193 8.628 1.00 4.50 H new ATOM 0 HD13 LEU A 19 0.698 -17.118 7.214 1.00 4.50 H new ATOM 0 HD21 LEU A 19 2.144 -14.832 8.690 1.00 71.54 H new ATOM 0 HD22 LEU A 19 0.759 -14.583 7.600 1.00 71.54 H new ATOM 0 HD23 LEU A 19 0.697 -13.974 9.271 1.00 71.54 H new ATOM 317 N GLU A 20 -3.703 -14.118 8.437 1.00 62.43 N ATOM 318 CA GLU A 20 -4.449 -13.351 7.446 1.00 21.41 C ATOM 319 C GLU A 20 -4.772 -11.955 7.970 1.00 72.01 C ATOM 320 O GLU A 20 -4.334 -10.952 7.406 1.00 23.31 O ATOM 321 CB GLU A 20 -5.742 -14.080 7.072 1.00 4.25 C ATOM 322 CG GLU A 20 -6.130 -13.920 5.612 1.00 23.51 C ATOM 323 CD GLU A 20 -6.888 -12.634 5.347 1.00 31.40 C ATOM 324 OE1 GLU A 20 -8.045 -12.524 5.804 1.00 11.22 O ATOM 325 OE2 GLU A 20 -6.325 -11.739 4.683 1.00 75.32 O ATOM 0 H GLU A 20 -4.272 -14.759 8.990 1.00 62.43 H new ATOM 0 HA GLU A 20 -3.827 -13.251 6.557 1.00 21.41 H new ATOM 0 HB2 GLU A 20 -5.629 -15.141 7.295 1.00 4.25 H new ATOM 0 HB3 GLU A 20 -6.553 -13.708 7.698 1.00 4.25 H new ATOM 0 HG2 GLU A 20 -5.231 -13.940 4.997 1.00 23.51 H new ATOM 0 HG3 GLU A 20 -6.744 -14.768 5.308 1.00 23.51 H new ATOM 332 N ARG A 21 -5.543 -11.899 9.051 1.00 4.24 N ATOM 333 CA ARG A 21 -5.927 -10.626 9.651 1.00 65.44 C ATOM 334 C ARG A 21 -4.694 -9.817 10.045 1.00 73.33 C ATOM 335 O ARG A 21 -4.759 -8.596 10.182 1.00 73.13 O ATOM 336 CB ARG A 21 -6.809 -10.862 10.878 1.00 71.03 C ATOM 337 CG ARG A 21 -6.213 -11.839 11.878 1.00 1.42 C ATOM 338 CD ARG A 21 -6.490 -11.408 13.310 1.00 0.21 C ATOM 339 NE ARG A 21 -5.633 -10.300 13.724 1.00 51.22 N ATOM 340 CZ ARG A 21 -5.656 -9.768 14.941 1.00 52.44 C ATOM 341 NH1 ARG A 21 -6.488 -10.240 15.859 1.00 51.13 N ATOM 342 NH2 ARG A 21 -4.846 -8.761 15.241 1.00 24.14 N ATOM 0 H ARG A 21 -5.914 -12.720 9.529 1.00 4.24 H new ATOM 0 HA ARG A 21 -6.491 -10.059 8.910 1.00 65.44 H new ATOM 0 HB2 ARG A 21 -6.987 -9.909 11.376 1.00 71.03 H new ATOM 0 HB3 ARG A 21 -7.779 -11.236 10.551 1.00 71.03 H new ATOM 0 HG2 ARG A 21 -6.628 -12.833 11.709 1.00 1.42 H new ATOM 0 HG3 ARG A 21 -5.137 -11.912 11.720 1.00 1.42 H new ATOM 0 HD2 ARG A 21 -7.535 -11.113 13.404 1.00 0.21 H new ATOM 0 HD3 ARG A 21 -6.337 -12.254 13.979 1.00 0.21 H new ATOM 0 HE ARG A 21 -4.981 -9.914 13.041 1.00 51.22 H new ATOM 0 HH11 ARG A 21 -7.113 -11.014 15.632 1.00 51.13 H new ATOM 0 HH12 ARG A 21 -6.503 -9.830 16.793 1.00 51.13 H new ATOM 0 HH21 ARG A 21 -4.205 -8.395 14.537 1.00 24.14 H new ATOM 0 HH22 ARG A 21 -4.864 -8.353 16.176 1.00 24.14 H new ATOM 356 N ALA A 22 -3.573 -10.507 10.226 1.00 61.11 N ATOM 357 CA ALA A 22 -2.326 -9.853 10.603 1.00 51.13 C ATOM 358 C ALA A 22 -1.977 -8.733 9.628 1.00 72.31 C ATOM 359 O ALA A 22 -1.799 -7.582 10.027 1.00 12.41 O ATOM 360 CB ALA A 22 -1.196 -10.869 10.669 1.00 63.23 C ATOM 0 H ALA A 22 -3.503 -11.519 10.118 1.00 61.11 H new ATOM 0 HA ALA A 22 -2.460 -9.411 11.590 1.00 51.13 H new ATOM 0 HB1 ALA A 22 -0.271 -10.366 10.952 1.00 63.23 H new ATOM 0 HB2 ALA A 22 -1.435 -11.632 11.410 1.00 63.23 H new ATOM 0 HB3 ALA A 22 -1.071 -11.338 9.693 1.00 63.23 H new ATOM 366 N LEU A 23 -1.880 -9.078 8.349 1.00 60.12 N ATOM 367 CA LEU A 23 -1.551 -8.102 7.316 1.00 13.50 C ATOM 368 C LEU A 23 -2.801 -7.362 6.849 1.00 43.41 C ATOM 369 O LEU A 23 -2.716 -6.255 6.318 1.00 14.42 O ATOM 370 CB LEU A 23 -0.880 -8.793 6.128 1.00 40.30 C ATOM 371 CG LEU A 23 0.216 -9.802 6.471 1.00 45.15 C ATOM 372 CD1 LEU A 23 0.976 -10.211 5.218 1.00 73.11 C ATOM 373 CD2 LEU A 23 1.168 -9.224 7.508 1.00 31.22 C ATOM 0 H LEU A 23 -2.024 -10.026 8.002 1.00 60.12 H new ATOM 0 HA LEU A 23 -0.859 -7.376 7.744 1.00 13.50 H new ATOM 0 HB2 LEU A 23 -1.649 -9.305 5.549 1.00 40.30 H new ATOM 0 HB3 LEU A 23 -0.452 -8.027 5.482 1.00 40.30 H new ATOM 0 HG LEU A 23 -0.254 -10.690 6.893 1.00 45.15 H new ATOM 0 HD11 LEU A 23 1.752 -10.930 5.481 1.00 73.11 H new ATOM 0 HD12 LEU A 23 0.287 -10.666 4.507 1.00 73.11 H new ATOM 0 HD13 LEU A 23 1.434 -9.331 4.767 1.00 73.11 H new ATOM 0 HD21 LEU A 23 1.941 -9.956 7.740 1.00 31.22 H new ATOM 0 HD22 LEU A 23 1.631 -8.320 7.113 1.00 31.22 H new ATOM 0 HD23 LEU A 23 0.614 -8.981 8.415 1.00 31.22 H new ATOM 385 N ALA A 24 -3.959 -7.980 7.052 1.00 32.31 N ATOM 386 CA ALA A 24 -5.226 -7.379 6.656 1.00 54.32 C ATOM 387 C ALA A 24 -5.359 -5.963 7.208 1.00 64.41 C ATOM 388 O ALA A 24 -6.029 -5.117 6.619 1.00 50.24 O ATOM 389 CB ALA A 24 -6.389 -8.241 7.124 1.00 13.21 C ATOM 0 H ALA A 24 -4.046 -8.898 7.489 1.00 32.31 H new ATOM 0 HA ALA A 24 -5.247 -7.320 5.568 1.00 54.32 H new ATOM 0 HB1 ALA A 24 -7.329 -7.780 6.821 1.00 13.21 H new ATOM 0 HB2 ALA A 24 -6.311 -9.232 6.677 1.00 13.21 H new ATOM 0 HB3 ALA A 24 -6.362 -8.330 8.210 1.00 13.21 H new ATOM 395 N GLY A 25 -4.715 -5.714 8.344 1.00 1.33 N ATOM 396 CA GLY A 25 -4.774 -4.400 8.957 1.00 14.42 C ATOM 397 C GLY A 25 -3.724 -3.455 8.407 1.00 31.21 C ATOM 398 O GLY A 25 -3.893 -2.237 8.448 1.00 41.12 O ATOM 0 H GLY A 25 -4.154 -6.399 8.851 1.00 1.33 H new ATOM 0 HA2 GLY A 25 -5.763 -3.972 8.796 1.00 14.42 H new ATOM 0 HA3 GLY A 25 -4.641 -4.499 10.034 1.00 14.42 H new ATOM 402 N ALA A 26 -2.636 -4.018 7.893 1.00 64.13 N ATOM 403 CA ALA A 26 -1.554 -3.218 7.332 1.00 1.21 C ATOM 404 C ALA A 26 -1.720 -3.049 5.826 1.00 64.34 C ATOM 405 O ALA A 26 -2.762 -3.385 5.264 1.00 25.34 O ATOM 406 CB ALA A 26 -0.208 -3.853 7.649 1.00 33.13 C ATOM 0 H ALA A 26 -2.480 -5.025 7.853 1.00 64.13 H new ATOM 0 HA ALA A 26 -1.593 -2.229 7.789 1.00 1.21 H new ATOM 0 HB1 ALA A 26 0.590 -3.245 7.224 1.00 33.13 H new ATOM 0 HB2 ALA A 26 -0.081 -3.915 8.730 1.00 33.13 H new ATOM 0 HB3 ALA A 26 -0.168 -4.855 7.221 1.00 33.13 H new ATOM 412 N GLY A 27 -0.684 -2.526 5.176 1.00 54.32 N ATOM 413 CA GLY A 27 -0.736 -2.321 3.740 1.00 14.00 C ATOM 414 C GLY A 27 -0.053 -3.434 2.971 1.00 73.14 C ATOM 415 O GLY A 27 0.840 -3.182 2.161 1.00 2.20 O ATOM 0 H GLY A 27 0.190 -2.241 5.618 1.00 54.32 H new ATOM 0 HA2 GLY A 27 -1.777 -2.250 3.424 1.00 14.00 H new ATOM 0 HA3 GLY A 27 -0.263 -1.370 3.494 1.00 14.00 H new ATOM 419 N LEU A 28 -0.472 -4.669 3.224 1.00 61.15 N ATOM 420 CA LEU A 28 0.107 -5.826 2.549 1.00 31.24 C ATOM 421 C LEU A 28 -0.974 -6.836 2.177 1.00 63.23 C ATOM 422 O LEU A 28 -1.904 -7.080 2.946 1.00 23.04 O ATOM 423 CB LEU A 28 1.155 -6.491 3.444 1.00 42.53 C ATOM 424 CG LEU A 28 1.916 -5.561 4.391 1.00 74.44 C ATOM 425 CD1 LEU A 28 2.675 -6.367 5.433 1.00 20.12 C ATOM 426 CD2 LEU A 28 2.866 -4.666 3.610 1.00 42.33 C ATOM 0 H LEU A 28 -1.210 -4.895 3.891 1.00 61.15 H new ATOM 0 HA LEU A 28 0.586 -5.480 1.633 1.00 31.24 H new ATOM 0 HB2 LEU A 28 0.661 -7.258 4.040 1.00 42.53 H new ATOM 0 HB3 LEU A 28 1.879 -6.999 2.807 1.00 42.53 H new ATOM 0 HG LEU A 28 1.194 -4.928 4.906 1.00 74.44 H new ATOM 0 HD11 LEU A 28 3.210 -5.689 6.098 1.00 20.12 H new ATOM 0 HD12 LEU A 28 1.972 -6.965 6.013 1.00 20.12 H new ATOM 0 HD13 LEU A 28 3.387 -7.025 4.936 1.00 20.12 H new ATOM 0 HD21 LEU A 28 3.399 -4.011 4.300 1.00 42.33 H new ATOM 0 HD22 LEU A 28 3.583 -5.282 3.068 1.00 42.33 H new ATOM 0 HD23 LEU A 28 2.298 -4.062 2.902 1.00 42.33 H new ATOM 438 N THR A 29 -0.844 -7.424 0.991 1.00 11.51 N ATOM 439 CA THR A 29 -1.808 -8.408 0.516 1.00 13.04 C ATOM 440 C THR A 29 -1.702 -9.707 1.307 1.00 60.14 C ATOM 441 O THR A 29 -0.669 -9.993 1.913 1.00 64.34 O ATOM 442 CB THR A 29 -1.609 -8.713 -0.980 1.00 51.03 C ATOM 443 OG1 THR A 29 -1.420 -7.494 -1.708 1.00 32.12 O ATOM 444 CG2 THR A 29 -2.805 -9.465 -1.543 1.00 75.31 C ATOM 0 H THR A 29 -0.080 -7.235 0.342 1.00 11.51 H new ATOM 0 HA THR A 29 -2.798 -7.977 0.662 1.00 13.04 H new ATOM 0 HB THR A 29 -0.723 -9.340 -1.085 1.00 51.03 H new ATOM 0 HG1 THR A 29 -1.609 -7.647 -2.657 1.00 32.12 H new ATOM 0 HG21 THR A 29 -2.641 -9.669 -2.601 1.00 75.31 H new ATOM 0 HG22 THR A 29 -2.928 -10.406 -1.007 1.00 75.31 H new ATOM 0 HG23 THR A 29 -3.704 -8.860 -1.425 1.00 75.31 H new ATOM 452 N CYS A 30 -2.775 -10.490 1.296 1.00 60.13 N ATOM 453 CA CYS A 30 -2.802 -11.760 2.012 1.00 21.33 C ATOM 454 C CYS A 30 -3.679 -12.775 1.287 1.00 60.44 C ATOM 455 O CYS A 30 -4.879 -12.562 1.110 1.00 60.32 O ATOM 456 CB CYS A 30 -3.313 -11.554 3.439 1.00 71.01 C ATOM 457 SG CYS A 30 -2.134 -12.036 4.722 1.00 33.04 S ATOM 0 H CYS A 30 -3.638 -10.268 0.799 1.00 60.13 H new ATOM 0 HA CYS A 30 -1.784 -12.148 2.050 1.00 21.33 H new ATOM 0 HB2 CYS A 30 -3.570 -10.503 3.573 1.00 71.01 H new ATOM 0 HB3 CYS A 30 -4.231 -12.126 3.571 1.00 71.01 H new ATOM 0 HG CYS A 30 -2.449 -11.455 5.841 1.00 33.04 H new ATOM 463 N THR A 31 -3.072 -13.881 0.866 1.00 2.20 N ATOM 464 CA THR A 31 -3.796 -14.928 0.157 1.00 50.02 C ATOM 465 C THR A 31 -3.603 -16.282 0.829 1.00 31.25 C ATOM 466 O THR A 31 -2.504 -16.837 0.828 1.00 22.51 O ATOM 467 CB THR A 31 -3.343 -15.028 -1.312 1.00 73.01 C ATOM 468 OG1 THR A 31 -3.731 -13.849 -2.026 1.00 11.43 O ATOM 469 CG2 THR A 31 -3.946 -16.253 -1.982 1.00 35.40 C ATOM 0 H THR A 31 -2.080 -14.074 1.004 1.00 2.20 H new ATOM 0 HA THR A 31 -4.852 -14.658 0.187 1.00 50.02 H new ATOM 0 HB THR A 31 -2.257 -15.122 -1.328 1.00 73.01 H new ATOM 0 HG1 THR A 31 -3.438 -13.920 -2.958 1.00 11.43 H new ATOM 0 HG21 THR A 31 -3.612 -16.302 -3.018 1.00 35.40 H new ATOM 0 HG22 THR A 31 -3.625 -17.151 -1.454 1.00 35.40 H new ATOM 0 HG23 THR A 31 -5.033 -16.185 -1.954 1.00 35.40 H new ATOM 477 N THR A 32 -4.679 -16.811 1.404 1.00 20.12 N ATOM 478 CA THR A 32 -4.628 -18.101 2.081 1.00 2.32 C ATOM 479 C THR A 32 -5.270 -19.193 1.233 1.00 4.21 C ATOM 480 O THR A 32 -6.406 -19.054 0.780 1.00 10.32 O ATOM 481 CB THR A 32 -5.335 -18.046 3.448 1.00 13.14 C ATOM 482 OG1 THR A 32 -6.756 -18.044 3.265 1.00 5.53 O ATOM 483 CG2 THR A 32 -4.917 -16.807 4.225 1.00 41.41 C ATOM 0 H THR A 32 -5.597 -16.366 1.414 1.00 20.12 H new ATOM 0 HA THR A 32 -3.575 -18.336 2.234 1.00 2.32 H new ATOM 0 HB THR A 32 -5.043 -18.928 4.018 1.00 13.14 H new ATOM 0 HG1 THR A 32 -6.967 -18.295 2.342 1.00 5.53 H new ATOM 0 HG21 THR A 32 -5.430 -16.791 5.187 1.00 41.41 H new ATOM 0 HG22 THR A 32 -3.839 -16.826 4.388 1.00 41.41 H new ATOM 0 HG23 THR A 32 -5.182 -15.915 3.657 1.00 41.41 H new ATOM 491 N PHE A 33 -4.535 -20.280 1.022 1.00 51.11 N ATOM 492 CA PHE A 33 -5.033 -21.397 0.227 1.00 12.43 C ATOM 493 C PHE A 33 -5.608 -22.489 1.124 1.00 2.05 C ATOM 494 O PHE A 33 -6.796 -22.483 1.443 1.00 13.42 O ATOM 495 CB PHE A 33 -3.913 -21.972 -0.642 1.00 2.43 C ATOM 496 CG PHE A 33 -3.369 -20.993 -1.643 1.00 71.45 C ATOM 497 CD1 PHE A 33 -2.398 -20.075 -1.278 1.00 63.32 C ATOM 498 CD2 PHE A 33 -3.829 -20.992 -2.950 1.00 61.34 C ATOM 499 CE1 PHE A 33 -1.896 -19.174 -2.198 1.00 15.41 C ATOM 500 CE2 PHE A 33 -3.331 -20.093 -3.875 1.00 30.22 C ATOM 501 CZ PHE A 33 -2.363 -19.183 -3.498 1.00 63.40 C ATOM 0 H PHE A 33 -3.593 -20.411 1.390 1.00 51.11 H new ATOM 0 HA PHE A 33 -5.829 -21.025 -0.418 1.00 12.43 H new ATOM 0 HB2 PHE A 33 -3.101 -22.310 0.002 1.00 2.43 H new ATOM 0 HB3 PHE A 33 -4.287 -22.849 -1.170 1.00 2.43 H new ATOM 0 HD1 PHE A 33 -2.029 -20.063 -0.263 1.00 63.32 H new ATOM 0 HD2 PHE A 33 -4.586 -21.702 -3.250 1.00 61.34 H new ATOM 0 HE1 PHE A 33 -1.139 -18.463 -1.901 1.00 15.41 H new ATOM 0 HE2 PHE A 33 -3.698 -20.102 -4.891 1.00 30.22 H new ATOM 0 HZ PHE A 33 -1.972 -18.480 -4.218 1.00 63.40 H new ATOM 511 N GLU A 34 -4.755 -23.426 1.527 1.00 4.51 N ATOM 512 CA GLU A 34 -5.178 -24.525 2.386 1.00 22.21 C ATOM 513 C GLU A 34 -4.061 -25.553 2.544 1.00 1.14 C ATOM 514 O GLU A 34 -3.836 -26.078 3.634 1.00 0.40 O ATOM 515 CB GLU A 34 -6.427 -25.198 1.813 1.00 11.41 C ATOM 516 CG GLU A 34 -6.397 -25.350 0.302 1.00 71.44 C ATOM 517 CD GLU A 34 -6.826 -26.732 -0.154 1.00 11.42 C ATOM 518 OE1 GLU A 34 -6.138 -27.713 0.197 1.00 50.12 O ATOM 519 OE2 GLU A 34 -7.851 -26.831 -0.861 1.00 3.20 O ATOM 0 H GLU A 34 -3.768 -23.446 1.272 1.00 4.51 H new ATOM 0 HA GLU A 34 -5.413 -24.115 3.368 1.00 22.21 H new ATOM 0 HB2 GLU A 34 -6.539 -26.183 2.267 1.00 11.41 H new ATOM 0 HB3 GLU A 34 -7.305 -24.616 2.094 1.00 11.41 H new ATOM 0 HG2 GLU A 34 -7.052 -24.604 -0.148 1.00 71.44 H new ATOM 0 HG3 GLU A 34 -5.389 -25.149 -0.060 1.00 71.44 H new ATOM 526 N ASN A 35 -3.365 -25.835 1.448 1.00 61.21 N ATOM 527 CA ASN A 35 -2.272 -26.801 1.464 1.00 51.12 C ATOM 528 C ASN A 35 -1.068 -26.273 0.689 1.00 12.35 C ATOM 529 O ASN A 35 -1.194 -25.366 -0.132 1.00 15.42 O ATOM 530 CB ASN A 35 -2.732 -28.133 0.867 1.00 1.34 C ATOM 531 CG ASN A 35 -2.247 -29.324 1.671 1.00 61.03 C ATOM 532 OD1 ASN A 35 -1.148 -29.832 1.447 1.00 1.31 O ATOM 533 ND2 ASN A 35 -3.067 -29.776 2.612 1.00 73.21 N ATOM 0 H ASN A 35 -3.538 -25.409 0.538 1.00 61.21 H new ATOM 0 HA ASN A 35 -1.974 -26.958 2.501 1.00 51.12 H new ATOM 0 HB2 ASN A 35 -3.821 -28.150 0.818 1.00 1.34 H new ATOM 0 HB3 ASN A 35 -2.366 -28.215 -0.156 1.00 1.34 H new ATOM 0 HD21 ASN A 35 -2.795 -30.575 3.184 1.00 73.21 H new ATOM 0 HD22 ASN A 35 -3.969 -29.324 2.763 1.00 73.21 H new ATOM 540 N GLY A 36 0.100 -26.848 0.958 1.00 61.45 N ATOM 541 CA GLY A 36 1.310 -26.423 0.278 1.00 73.42 C ATOM 542 C GLY A 36 1.268 -26.705 -1.211 1.00 32.40 C ATOM 543 O GLY A 36 1.712 -25.889 -2.017 1.00 12.32 O ATOM 0 H GLY A 36 0.230 -27.600 1.634 1.00 61.45 H new ATOM 0 HA2 GLY A 36 1.457 -25.355 0.438 1.00 73.42 H new ATOM 0 HA3 GLY A 36 2.168 -26.932 0.717 1.00 73.42 H new ATOM 547 N ASN A 37 0.734 -27.866 -1.577 1.00 32.10 N ATOM 548 CA ASN A 37 0.638 -28.255 -2.979 1.00 53.13 C ATOM 549 C ASN A 37 -0.168 -27.231 -3.774 1.00 22.33 C ATOM 550 O ASN A 37 -0.066 -27.163 -4.998 1.00 54.30 O ATOM 551 CB ASN A 37 -0.008 -29.637 -3.104 1.00 43.51 C ATOM 552 CG ASN A 37 0.357 -30.330 -4.402 1.00 64.23 C ATOM 553 OD1 ASN A 37 -0.361 -30.228 -5.397 1.00 31.22 O ATOM 554 ND2 ASN A 37 1.479 -31.041 -4.398 1.00 42.20 N ATOM 0 H ASN A 37 0.361 -28.553 -0.922 1.00 32.10 H new ATOM 0 HA ASN A 37 1.647 -28.295 -3.389 1.00 53.13 H new ATOM 0 HB2 ASN A 37 0.303 -30.258 -2.264 1.00 43.51 H new ATOM 0 HB3 ASN A 37 -1.091 -29.536 -3.042 1.00 43.51 H new ATOM 0 HD21 ASN A 37 1.776 -31.530 -5.243 1.00 42.20 H new ATOM 0 HD22 ASN A 37 2.044 -31.098 -3.550 1.00 42.20 H new ATOM 561 N GLU A 38 -0.967 -26.438 -3.067 1.00 40.12 N ATOM 562 CA GLU A 38 -1.790 -25.418 -3.707 1.00 22.20 C ATOM 563 C GLU A 38 -1.032 -24.098 -3.818 1.00 61.42 C ATOM 564 O GLU A 38 -1.428 -23.203 -4.564 1.00 53.20 O ATOM 565 CB GLU A 38 -3.086 -25.210 -2.921 1.00 0.01 C ATOM 566 CG GLU A 38 -3.539 -26.443 -2.157 1.00 12.31 C ATOM 567 CD GLU A 38 -3.677 -27.663 -3.047 1.00 15.50 C ATOM 568 OE1 GLU A 38 -3.797 -27.489 -4.278 1.00 24.32 O ATOM 569 OE2 GLU A 38 -3.666 -28.791 -2.512 1.00 12.02 O ATOM 0 H GLU A 38 -1.062 -26.482 -2.052 1.00 40.12 H new ATOM 0 HA GLU A 38 -2.034 -25.762 -4.712 1.00 22.20 H new ATOM 0 HB2 GLU A 38 -2.947 -24.388 -2.218 1.00 0.01 H new ATOM 0 HB3 GLU A 38 -3.875 -24.910 -3.611 1.00 0.01 H new ATOM 0 HG2 GLU A 38 -2.824 -26.657 -1.363 1.00 12.31 H new ATOM 0 HG3 GLU A 38 -4.496 -26.237 -1.678 1.00 12.31 H new ATOM 576 N VAL A 39 0.061 -23.986 -3.070 1.00 0.50 N ATOM 577 CA VAL A 39 0.876 -22.776 -3.084 1.00 34.30 C ATOM 578 C VAL A 39 1.954 -22.852 -4.159 1.00 74.33 C ATOM 579 O VAL A 39 2.206 -21.879 -4.871 1.00 71.10 O ATOM 580 CB VAL A 39 1.545 -22.535 -1.718 1.00 13.51 C ATOM 581 CG1 VAL A 39 2.213 -21.168 -1.685 1.00 31.52 C ATOM 582 CG2 VAL A 39 0.526 -22.666 -0.596 1.00 25.45 C ATOM 0 H VAL A 39 0.403 -24.718 -2.447 1.00 0.50 H new ATOM 0 HA VAL A 39 0.206 -21.945 -3.304 1.00 34.30 H new ATOM 0 HB VAL A 39 2.314 -23.293 -1.570 1.00 13.51 H new ATOM 0 HG11 VAL A 39 2.680 -21.015 -0.712 1.00 31.52 H new ATOM 0 HG12 VAL A 39 2.973 -21.115 -2.465 1.00 31.52 H new ATOM 0 HG13 VAL A 39 1.465 -20.393 -1.854 1.00 31.52 H new ATOM 0 HG21 VAL A 39 1.016 -22.493 0.362 1.00 25.45 H new ATOM 0 HG22 VAL A 39 -0.267 -21.931 -0.737 1.00 25.45 H new ATOM 0 HG23 VAL A 39 0.098 -23.668 -0.609 1.00 25.45 H new ATOM 592 N LEU A 40 2.587 -24.014 -4.273 1.00 71.51 N ATOM 593 CA LEU A 40 3.639 -24.219 -5.263 1.00 12.10 C ATOM 594 C LEU A 40 3.174 -23.784 -6.649 1.00 40.11 C ATOM 595 O LEU A 40 3.899 -23.101 -7.372 1.00 11.45 O ATOM 596 CB LEU A 40 4.060 -25.689 -5.292 1.00 23.11 C ATOM 597 CG LEU A 40 4.660 -26.190 -6.606 1.00 40.44 C ATOM 598 CD1 LEU A 40 5.791 -25.278 -7.058 1.00 73.54 C ATOM 599 CD2 LEU A 40 5.154 -27.621 -6.456 1.00 73.25 C ATOM 0 H LEU A 40 2.390 -24.829 -3.692 1.00 71.51 H new ATOM 0 HA LEU A 40 4.496 -23.608 -4.979 1.00 12.10 H new ATOM 0 HB2 LEU A 40 4.788 -25.853 -4.498 1.00 23.11 H new ATOM 0 HB3 LEU A 40 3.189 -26.300 -5.057 1.00 23.11 H new ATOM 0 HG LEU A 40 3.881 -26.174 -7.368 1.00 40.44 H new ATOM 0 HD11 LEU A 40 6.206 -25.650 -7.995 1.00 73.54 H new ATOM 0 HD12 LEU A 40 5.407 -24.269 -7.207 1.00 73.54 H new ATOM 0 HD13 LEU A 40 6.571 -25.261 -6.297 1.00 73.54 H new ATOM 0 HD21 LEU A 40 5.578 -27.961 -7.401 1.00 73.25 H new ATOM 0 HD22 LEU A 40 5.918 -27.663 -5.680 1.00 73.25 H new ATOM 0 HD23 LEU A 40 4.320 -28.267 -6.179 1.00 73.25 H new ATOM 611 N ALA A 41 1.960 -24.183 -7.013 1.00 33.13 N ATOM 612 CA ALA A 41 1.396 -23.831 -8.310 1.00 64.02 C ATOM 613 C ALA A 41 0.971 -22.367 -8.345 1.00 44.11 C ATOM 614 O ALA A 41 0.885 -21.761 -9.413 1.00 22.22 O ATOM 615 CB ALA A 41 0.215 -24.733 -8.635 1.00 62.32 C ATOM 0 H ALA A 41 1.348 -24.751 -6.427 1.00 33.13 H new ATOM 0 HA ALA A 41 2.168 -23.976 -9.065 1.00 64.02 H new ATOM 0 HB1 ALA A 41 -0.196 -24.458 -9.606 1.00 62.32 H new ATOM 0 HB2 ALA A 41 0.546 -25.771 -8.661 1.00 62.32 H new ATOM 0 HB3 ALA A 41 -0.553 -24.617 -7.870 1.00 62.32 H new ATOM 621 N ALA A 42 0.706 -21.804 -7.171 1.00 23.44 N ATOM 622 CA ALA A 42 0.291 -20.411 -7.067 1.00 45.13 C ATOM 623 C ALA A 42 1.422 -19.470 -7.470 1.00 61.20 C ATOM 624 O ALA A 42 1.191 -18.442 -8.108 1.00 72.32 O ATOM 625 CB ALA A 42 -0.175 -20.103 -5.652 1.00 54.33 C ATOM 0 H ALA A 42 0.771 -22.292 -6.278 1.00 23.44 H new ATOM 0 HA ALA A 42 -0.541 -20.253 -7.754 1.00 45.13 H new ATOM 0 HB1 ALA A 42 -0.482 -19.059 -5.589 1.00 54.33 H new ATOM 0 HB2 ALA A 42 -1.019 -20.745 -5.399 1.00 54.33 H new ATOM 0 HB3 ALA A 42 0.641 -20.284 -4.953 1.00 54.33 H new ATOM 631 N LEU A 43 2.645 -19.827 -7.093 1.00 71.32 N ATOM 632 CA LEU A 43 3.813 -19.014 -7.415 1.00 34.22 C ATOM 633 C LEU A 43 3.916 -18.781 -8.919 1.00 3.14 C ATOM 634 O LEU A 43 4.307 -17.702 -9.364 1.00 22.32 O ATOM 635 CB LEU A 43 5.086 -19.690 -6.903 1.00 71.20 C ATOM 636 CG LEU A 43 5.005 -20.302 -5.504 1.00 3.41 C ATOM 637 CD1 LEU A 43 6.341 -20.915 -5.112 1.00 15.24 C ATOM 638 CD2 LEU A 43 4.579 -19.253 -4.487 1.00 53.22 C ATOM 0 H LEU A 43 2.854 -20.674 -6.564 1.00 71.32 H new ATOM 0 HA LEU A 43 3.700 -18.048 -6.923 1.00 34.22 H new ATOM 0 HB2 LEU A 43 5.364 -20.475 -7.606 1.00 71.20 H new ATOM 0 HB3 LEU A 43 5.892 -18.956 -6.910 1.00 71.20 H new ATOM 0 HG LEU A 43 4.255 -21.093 -5.517 1.00 3.41 H new ATOM 0 HD11 LEU A 43 6.265 -21.346 -4.114 1.00 15.24 H new ATOM 0 HD12 LEU A 43 6.606 -21.696 -5.825 1.00 15.24 H new ATOM 0 HD13 LEU A 43 7.111 -20.143 -5.116 1.00 15.24 H new ATOM 0 HD21 LEU A 43 4.527 -19.706 -3.497 1.00 53.22 H new ATOM 0 HD22 LEU A 43 5.306 -18.441 -4.476 1.00 53.22 H new ATOM 0 HD23 LEU A 43 3.599 -18.860 -4.758 1.00 53.22 H new ATOM 650 N ALA A 44 3.561 -19.799 -9.696 1.00 5.31 N ATOM 651 CA ALA A 44 3.611 -19.703 -11.150 1.00 35.04 C ATOM 652 C ALA A 44 2.683 -18.605 -11.659 1.00 60.00 C ATOM 653 O ALA A 44 2.781 -18.181 -12.811 1.00 20.34 O ATOM 654 CB ALA A 44 3.245 -21.039 -11.779 1.00 63.20 C ATOM 0 H ALA A 44 3.236 -20.699 -9.343 1.00 5.31 H new ATOM 0 HA ALA A 44 4.630 -19.445 -11.438 1.00 35.04 H new ATOM 0 HB1 ALA A 44 3.286 -20.953 -12.865 1.00 63.20 H new ATOM 0 HB2 ALA A 44 3.950 -21.802 -11.448 1.00 63.20 H new ATOM 0 HB3 ALA A 44 2.237 -21.320 -11.475 1.00 63.20 H new ATOM 660 N SER A 45 1.783 -18.149 -10.794 1.00 54.22 N ATOM 661 CA SER A 45 0.834 -17.103 -11.159 1.00 2.14 C ATOM 662 C SER A 45 1.528 -15.747 -11.246 1.00 50.10 C ATOM 663 O SER A 45 1.745 -15.216 -12.335 1.00 50.05 O ATOM 664 CB SER A 45 -0.305 -17.041 -10.140 1.00 13.34 C ATOM 665 OG SER A 45 -1.291 -16.102 -10.534 1.00 31.14 O ATOM 0 H SER A 45 1.691 -18.487 -9.836 1.00 54.22 H new ATOM 0 HA SER A 45 0.423 -17.345 -12.139 1.00 2.14 H new ATOM 0 HB2 SER A 45 -0.758 -18.027 -10.036 1.00 13.34 H new ATOM 0 HB3 SER A 45 0.092 -16.768 -9.162 1.00 13.34 H new ATOM 0 HG SER A 45 -2.009 -16.082 -9.867 1.00 31.14 H new ATOM 671 N LYS A 46 1.874 -15.191 -10.090 1.00 0.11 N ATOM 672 CA LYS A 46 2.544 -13.897 -10.033 1.00 25.42 C ATOM 673 C LYS A 46 3.818 -13.981 -9.197 1.00 72.01 C ATOM 674 O LYS A 46 4.609 -13.038 -9.155 1.00 15.25 O ATOM 675 CB LYS A 46 1.607 -12.839 -9.448 1.00 35.02 C ATOM 676 CG LYS A 46 0.899 -13.287 -8.181 1.00 32.12 C ATOM 677 CD LYS A 46 -0.135 -12.269 -7.730 1.00 2.25 C ATOM 678 CE LYS A 46 0.519 -10.964 -7.302 1.00 14.45 C ATOM 679 NZ LYS A 46 0.722 -10.042 -8.453 1.00 43.40 N ATOM 0 H LYS A 46 1.701 -15.617 -9.179 1.00 0.11 H new ATOM 0 HA LYS A 46 2.815 -13.611 -11.049 1.00 25.42 H new ATOM 0 HB2 LYS A 46 2.180 -11.937 -9.234 1.00 35.02 H new ATOM 0 HB3 LYS A 46 0.861 -12.573 -10.197 1.00 35.02 H new ATOM 0 HG2 LYS A 46 0.414 -14.247 -8.355 1.00 32.12 H new ATOM 0 HG3 LYS A 46 1.631 -13.439 -7.388 1.00 32.12 H new ATOM 0 HD2 LYS A 46 -0.836 -12.077 -8.542 1.00 2.25 H new ATOM 0 HD3 LYS A 46 -0.712 -12.678 -6.900 1.00 2.25 H new ATOM 0 HE2 LYS A 46 -0.102 -10.476 -6.551 1.00 14.45 H new ATOM 0 HE3 LYS A 46 1.480 -11.176 -6.833 1.00 14.45 H new ATOM 0 HZ1 LYS A 46 1.740 -9.875 -8.589 1.00 43.40 H new ATOM 0 HZ2 LYS A 46 0.323 -10.468 -9.314 1.00 43.40 H new ATOM 0 HZ3 LYS A 46 0.246 -9.138 -8.262 1.00 43.40 H new ATOM 693 N THR A 47 4.012 -15.117 -8.534 1.00 52.11 N ATOM 694 CA THR A 47 5.189 -15.324 -7.700 1.00 40.32 C ATOM 695 C THR A 47 5.247 -14.305 -6.568 1.00 13.30 C ATOM 696 O THR A 47 5.550 -13.129 -6.773 1.00 60.23 O ATOM 697 CB THR A 47 6.486 -15.231 -8.526 1.00 51.51 C ATOM 698 OG1 THR A 47 6.178 -15.236 -9.924 1.00 54.45 O ATOM 699 CG2 THR A 47 7.418 -16.389 -8.203 1.00 12.42 C ATOM 0 H THR A 47 3.368 -15.908 -8.559 1.00 52.11 H new ATOM 0 HA THR A 47 5.106 -16.326 -7.279 1.00 40.32 H new ATOM 0 HB THR A 47 6.988 -14.299 -8.268 1.00 51.51 H new ATOM 0 HG1 THR A 47 7.008 -15.175 -10.442 1.00 54.45 H new ATOM 0 HG21 THR A 47 8.327 -16.302 -8.798 1.00 12.42 H new ATOM 0 HG22 THR A 47 7.674 -16.365 -7.144 1.00 12.42 H new ATOM 0 HG23 THR A 47 6.922 -17.331 -8.435 1.00 12.42 H new ATOM 707 N PRO A 48 4.950 -14.763 -5.343 1.00 12.22 N ATOM 708 CA PRO A 48 4.962 -13.907 -4.153 1.00 3.50 C ATOM 709 C PRO A 48 6.373 -13.482 -3.759 1.00 51.12 C ATOM 710 O PRO A 48 7.355 -14.096 -4.175 1.00 63.34 O ATOM 711 CB PRO A 48 4.350 -14.797 -3.069 1.00 14.31 C ATOM 712 CG PRO A 48 4.624 -16.189 -3.522 1.00 25.10 C ATOM 713 CD PRO A 48 4.580 -16.152 -5.025 1.00 35.04 C ATOM 0 HA PRO A 48 4.419 -12.976 -4.316 1.00 3.50 H new ATOM 0 HB2 PRO A 48 4.800 -14.602 -2.096 1.00 14.31 H new ATOM 0 HB3 PRO A 48 3.280 -14.617 -2.967 1.00 14.31 H new ATOM 0 HG2 PRO A 48 5.597 -16.530 -3.168 1.00 25.10 H new ATOM 0 HG3 PRO A 48 3.881 -16.881 -3.127 1.00 25.10 H new ATOM 0 HD2 PRO A 48 5.278 -16.864 -5.465 1.00 35.04 H new ATOM 0 HD3 PRO A 48 3.589 -16.401 -5.404 1.00 35.04 H new ATOM 721 N ASP A 49 6.466 -12.429 -2.955 1.00 12.30 N ATOM 722 CA ASP A 49 7.757 -11.923 -2.504 1.00 10.14 C ATOM 723 C ASP A 49 8.192 -12.615 -1.216 1.00 34.25 C ATOM 724 O ASP A 49 9.349 -12.520 -0.808 1.00 23.44 O ATOM 725 CB ASP A 49 7.689 -10.410 -2.286 1.00 75.53 C ATOM 726 CG ASP A 49 7.703 -9.637 -3.590 1.00 72.11 C ATOM 727 OD1 ASP A 49 6.911 -9.981 -4.493 1.00 63.12 O ATOM 728 OD2 ASP A 49 8.505 -8.687 -3.707 1.00 73.23 O ATOM 0 H ASP A 49 5.663 -11.909 -2.602 1.00 12.30 H new ATOM 0 HA ASP A 49 8.494 -12.138 -3.278 1.00 10.14 H new ATOM 0 HB2 ASP A 49 6.783 -10.166 -1.732 1.00 75.53 H new ATOM 0 HB3 ASP A 49 8.533 -10.096 -1.672 1.00 75.53 H new ATOM 733 N VAL A 50 7.255 -13.311 -0.578 1.00 40.24 N ATOM 734 CA VAL A 50 7.541 -14.019 0.664 1.00 71.15 C ATOM 735 C VAL A 50 6.322 -14.799 1.145 1.00 44.25 C ATOM 736 O VAL A 50 5.183 -14.374 0.949 1.00 12.24 O ATOM 737 CB VAL A 50 7.987 -13.049 1.773 1.00 14.44 C ATOM 738 CG1 VAL A 50 6.894 -12.031 2.063 1.00 0.33 C ATOM 739 CG2 VAL A 50 8.360 -13.816 3.033 1.00 51.50 C ATOM 0 H VAL A 50 6.292 -13.399 -0.901 1.00 40.24 H new ATOM 0 HA VAL A 50 8.353 -14.714 0.452 1.00 71.15 H new ATOM 0 HB VAL A 50 8.870 -12.511 1.428 1.00 14.44 H new ATOM 0 HG11 VAL A 50 7.227 -11.354 2.849 1.00 0.33 H new ATOM 0 HG12 VAL A 50 6.679 -11.460 1.159 1.00 0.33 H new ATOM 0 HG13 VAL A 50 5.992 -12.549 2.388 1.00 0.33 H new ATOM 0 HG21 VAL A 50 8.673 -13.115 3.807 1.00 51.50 H new ATOM 0 HG22 VAL A 50 7.497 -14.382 3.384 1.00 51.50 H new ATOM 0 HG23 VAL A 50 9.178 -14.502 2.813 1.00 51.50 H new ATOM 749 N LEU A 51 6.569 -15.942 1.775 1.00 44.14 N ATOM 750 CA LEU A 51 5.492 -16.783 2.285 1.00 10.51 C ATOM 751 C LEU A 51 5.770 -17.211 3.722 1.00 21.13 C ATOM 752 O LEU A 51 6.859 -16.982 4.250 1.00 22.12 O ATOM 753 CB LEU A 51 5.317 -18.016 1.398 1.00 71.22 C ATOM 754 CG LEU A 51 3.887 -18.324 0.951 1.00 23.31 C ATOM 755 CD1 LEU A 51 3.855 -18.683 -0.526 1.00 43.35 C ATOM 756 CD2 LEU A 51 3.298 -19.450 1.788 1.00 61.51 C ATOM 0 H LEU A 51 7.506 -16.308 1.945 1.00 44.14 H new ATOM 0 HA LEU A 51 4.571 -16.200 2.271 1.00 10.51 H new ATOM 0 HB2 LEU A 51 5.935 -17.890 0.509 1.00 71.22 H new ATOM 0 HB3 LEU A 51 5.703 -18.883 1.935 1.00 71.22 H new ATOM 0 HG LEU A 51 3.280 -17.431 1.100 1.00 23.31 H new ATOM 0 HD11 LEU A 51 2.830 -18.899 -0.826 1.00 43.35 H new ATOM 0 HD12 LEU A 51 4.236 -17.847 -1.112 1.00 43.35 H new ATOM 0 HD13 LEU A 51 4.477 -19.561 -0.701 1.00 43.35 H new ATOM 0 HD21 LEU A 51 2.280 -19.656 1.456 1.00 61.51 H new ATOM 0 HD22 LEU A 51 3.906 -20.347 1.671 1.00 61.51 H new ATOM 0 HD23 LEU A 51 3.285 -19.155 2.837 1.00 61.51 H new ATOM 768 N LEU A 52 4.780 -17.836 4.350 1.00 52.21 N ATOM 769 CA LEU A 52 4.918 -18.299 5.726 1.00 21.32 C ATOM 770 C LEU A 52 4.366 -19.712 5.883 1.00 33.40 C ATOM 771 O LEU A 52 3.458 -19.950 6.679 1.00 14.24 O ATOM 772 CB LEU A 52 4.195 -17.348 6.681 1.00 54.23 C ATOM 773 CG LEU A 52 4.176 -15.874 6.273 1.00 22.14 C ATOM 774 CD1 LEU A 52 2.835 -15.507 5.657 1.00 64.44 C ATOM 775 CD2 LEU A 52 4.475 -14.986 7.472 1.00 13.42 C ATOM 0 H LEU A 52 3.873 -18.034 3.928 1.00 52.21 H new ATOM 0 HA LEU A 52 5.980 -18.314 5.973 1.00 21.32 H new ATOM 0 HB2 LEU A 52 3.165 -17.688 6.790 1.00 54.23 H new ATOM 0 HB3 LEU A 52 4.662 -17.427 7.663 1.00 54.23 H new ATOM 0 HG LEU A 52 4.952 -15.714 5.524 1.00 22.14 H new ATOM 0 HD11 LEU A 52 2.841 -14.455 5.373 1.00 64.44 H new ATOM 0 HD12 LEU A 52 2.661 -16.120 4.773 1.00 64.44 H new ATOM 0 HD13 LEU A 52 2.041 -15.683 6.383 1.00 64.44 H new ATOM 0 HD21 LEU A 52 4.458 -13.941 7.164 1.00 13.42 H new ATOM 0 HD22 LEU A 52 3.722 -15.150 8.243 1.00 13.42 H new ATOM 0 HD23 LEU A 52 5.460 -15.231 7.869 1.00 13.42 H new ATOM 787 N SER A 53 4.922 -20.648 5.119 1.00 14.34 N ATOM 788 CA SER A 53 4.484 -22.038 5.172 1.00 15.53 C ATOM 789 C SER A 53 4.474 -22.550 6.609 1.00 10.23 C ATOM 790 O SER A 53 5.420 -22.328 7.365 1.00 11.14 O ATOM 791 CB SER A 53 5.395 -22.915 4.312 1.00 2.21 C ATOM 792 OG SER A 53 4.809 -24.183 4.077 1.00 55.04 O ATOM 0 H SER A 53 5.676 -20.469 4.456 1.00 14.34 H new ATOM 0 HA SER A 53 3.468 -22.088 4.780 1.00 15.53 H new ATOM 0 HB2 SER A 53 5.590 -22.419 3.361 1.00 2.21 H new ATOM 0 HB3 SER A 53 6.357 -23.042 4.808 1.00 2.21 H new ATOM 0 HG SER A 53 5.470 -24.777 3.663 1.00 55.04 H new ATOM 798 N ASP A 54 3.398 -23.236 6.979 1.00 63.13 N ATOM 799 CA ASP A 54 3.264 -23.782 8.325 1.00 43.35 C ATOM 800 C ASP A 54 3.198 -25.305 8.289 1.00 32.30 C ATOM 801 O ASP A 54 2.282 -25.883 7.701 1.00 5.35 O ATOM 802 CB ASP A 54 2.014 -23.220 9.004 1.00 43.15 C ATOM 803 CG ASP A 54 2.210 -23.006 10.492 1.00 62.44 C ATOM 804 OD1 ASP A 54 3.053 -23.710 11.086 1.00 63.24 O ATOM 805 OD2 ASP A 54 1.520 -22.136 11.062 1.00 12.05 O ATOM 0 H ASP A 54 2.606 -23.427 6.366 1.00 63.13 H new ATOM 0 HA ASP A 54 4.143 -23.488 8.899 1.00 43.35 H new ATOM 0 HB2 ASP A 54 1.745 -22.273 8.536 1.00 43.15 H new ATOM 0 HB3 ASP A 54 1.180 -23.903 8.845 1.00 43.15 H new ATOM 810 N ILE A 55 4.173 -25.950 8.920 1.00 3.11 N ATOM 811 CA ILE A 55 4.225 -27.406 8.960 1.00 31.04 C ATOM 812 C ILE A 55 3.400 -27.953 10.120 1.00 31.51 C ATOM 813 O ILE A 55 3.862 -27.991 11.261 1.00 53.53 O ATOM 814 CB ILE A 55 5.673 -27.915 9.090 1.00 12.41 C ATOM 815 CG1 ILE A 55 6.582 -27.190 8.095 1.00 30.32 C ATOM 816 CG2 ILE A 55 5.728 -29.419 8.868 1.00 13.31 C ATOM 817 CD1 ILE A 55 8.028 -27.127 8.533 1.00 24.35 C ATOM 0 H ILE A 55 4.938 -25.487 9.411 1.00 3.11 H new ATOM 0 HA ILE A 55 3.807 -27.763 8.019 1.00 31.04 H new ATOM 0 HB ILE A 55 6.028 -27.704 10.099 1.00 12.41 H new ATOM 0 HG12 ILE A 55 6.525 -27.693 7.130 1.00 30.32 H new ATOM 0 HG13 ILE A 55 6.211 -26.176 7.948 1.00 30.32 H new ATOM 0 HG21 ILE A 55 6.758 -29.763 8.963 1.00 13.31 H new ATOM 0 HG22 ILE A 55 5.108 -29.919 9.612 1.00 13.31 H new ATOM 0 HG23 ILE A 55 5.358 -29.653 7.870 1.00 13.31 H new ATOM 0 HD11 ILE A 55 8.614 -26.600 7.780 1.00 24.35 H new ATOM 0 HD12 ILE A 55 8.098 -26.598 9.483 1.00 24.35 H new ATOM 0 HD13 ILE A 55 8.417 -28.138 8.652 1.00 24.35 H new ATOM 920 N GLY A 62 5.174 -30.638 5.040 1.00 42.45 N ATOM 921 CA GLY A 62 5.267 -29.196 5.176 1.00 12.12 C ATOM 922 C GLY A 62 6.446 -28.616 4.420 1.00 74.32 C ATOM 923 O GLY A 62 6.279 -27.732 3.578 1.00 21.25 O ATOM 0 HA2 GLY A 62 4.346 -28.740 4.812 1.00 12.12 H new ATOM 0 HA3 GLY A 62 5.354 -28.939 6.232 1.00 12.12 H new ATOM 927 N LEU A 63 7.641 -29.113 4.720 1.00 53.14 N ATOM 928 CA LEU A 63 8.853 -28.638 4.063 1.00 44.33 C ATOM 929 C LEU A 63 9.044 -29.320 2.712 1.00 42.12 C ATOM 930 O LEU A 63 9.851 -28.882 1.892 1.00 11.44 O ATOM 931 CB LEU A 63 10.072 -28.892 4.952 1.00 72.01 C ATOM 932 CG LEU A 63 10.053 -30.189 5.761 1.00 21.31 C ATOM 933 CD1 LEU A 63 9.775 -31.379 4.856 1.00 71.22 C ATOM 934 CD2 LEU A 63 11.370 -30.376 6.500 1.00 0.35 C ATOM 0 H LEU A 63 7.796 -29.844 5.414 1.00 53.14 H new ATOM 0 HA LEU A 63 8.749 -27.566 3.896 1.00 44.33 H new ATOM 0 HB2 LEU A 63 10.962 -28.893 4.323 1.00 72.01 H new ATOM 0 HB3 LEU A 63 10.172 -28.056 5.645 1.00 72.01 H new ATOM 0 HG LEU A 63 9.252 -30.123 6.497 1.00 21.31 H new ATOM 0 HD11 LEU A 63 9.765 -32.293 5.450 1.00 71.22 H new ATOM 0 HD12 LEU A 63 8.807 -31.250 4.373 1.00 71.22 H new ATOM 0 HD13 LEU A 63 10.554 -31.448 4.096 1.00 71.22 H new ATOM 0 HD21 LEU A 63 11.338 -31.304 7.071 1.00 0.35 H new ATOM 0 HD22 LEU A 63 12.188 -30.420 5.781 1.00 0.35 H new ATOM 0 HD23 LEU A 63 11.528 -29.538 7.179 1.00 0.35 H new ATOM 946 N ALA A 64 8.295 -30.394 2.486 1.00 13.01 N ATOM 947 CA ALA A 64 8.378 -31.134 1.233 1.00 21.12 C ATOM 948 C ALA A 64 8.352 -30.191 0.035 1.00 3.35 C ATOM 949 O ALA A 64 9.131 -30.345 -0.906 1.00 45.41 O ATOM 950 CB ALA A 64 7.242 -32.141 1.139 1.00 73.53 C ATOM 0 H ALA A 64 7.623 -30.771 3.155 1.00 13.01 H new ATOM 0 HA ALA A 64 9.327 -31.670 1.219 1.00 21.12 H new ATOM 0 HB1 ALA A 64 7.316 -32.687 0.198 1.00 73.53 H new ATOM 0 HB2 ALA A 64 7.307 -32.842 1.971 1.00 73.53 H new ATOM 0 HB3 ALA A 64 6.287 -31.617 1.180 1.00 73.53 H new ATOM 956 N LEU A 65 7.452 -29.215 0.076 1.00 0.35 N ATOM 957 CA LEU A 65 7.324 -28.246 -1.007 1.00 1.25 C ATOM 958 C LEU A 65 8.323 -27.106 -0.838 1.00 2.41 C ATOM 959 O LEU A 65 8.689 -26.438 -1.806 1.00 51.12 O ATOM 960 CB LEU A 65 5.900 -27.689 -1.053 1.00 43.34 C ATOM 961 CG LEU A 65 5.691 -26.324 -0.396 1.00 25.24 C ATOM 962 CD1 LEU A 65 4.289 -25.806 -0.675 1.00 21.15 C ATOM 963 CD2 LEU A 65 5.942 -26.411 1.103 1.00 52.41 C ATOM 0 H LEU A 65 6.800 -29.073 0.848 1.00 0.35 H new ATOM 0 HA LEU A 65 7.539 -28.756 -1.946 1.00 1.25 H new ATOM 0 HB2 LEU A 65 5.593 -27.618 -2.096 1.00 43.34 H new ATOM 0 HB3 LEU A 65 5.235 -28.407 -0.573 1.00 43.34 H new ATOM 0 HG LEU A 65 6.406 -25.622 -0.824 1.00 25.24 H new ATOM 0 HD11 LEU A 65 4.159 -24.834 -0.200 1.00 21.15 H new ATOM 0 HD12 LEU A 65 4.146 -25.706 -1.751 1.00 21.15 H new ATOM 0 HD13 LEU A 65 3.556 -26.506 -0.275 1.00 21.15 H new ATOM 0 HD21 LEU A 65 5.789 -25.431 1.555 1.00 52.41 H new ATOM 0 HD22 LEU A 65 5.251 -27.127 1.547 1.00 52.41 H new ATOM 0 HD23 LEU A 65 6.967 -26.737 1.282 1.00 52.41 H new ATOM 975 N LEU A 66 8.763 -26.889 0.397 1.00 70.22 N ATOM 976 CA LEU A 66 9.722 -25.831 0.693 1.00 45.12 C ATOM 977 C LEU A 66 11.092 -26.158 0.107 1.00 22.41 C ATOM 978 O LEU A 66 11.869 -25.262 -0.223 1.00 70.02 O ATOM 979 CB LEU A 66 9.837 -25.627 2.205 1.00 70.45 C ATOM 980 CG LEU A 66 9.965 -24.179 2.679 1.00 34.41 C ATOM 981 CD1 LEU A 66 10.849 -23.383 1.732 1.00 30.31 C ATOM 982 CD2 LEU A 66 8.592 -23.534 2.799 1.00 75.35 C ATOM 0 H LEU A 66 8.471 -27.432 1.209 1.00 70.22 H new ATOM 0 HA LEU A 66 9.362 -24.910 0.235 1.00 45.12 H new ATOM 0 HB2 LEU A 66 8.959 -26.067 2.679 1.00 70.45 H new ATOM 0 HB3 LEU A 66 10.704 -26.183 2.562 1.00 70.45 H new ATOM 0 HG LEU A 66 10.432 -24.179 3.664 1.00 34.41 H new ATOM 0 HD11 LEU A 66 10.928 -22.355 2.086 1.00 30.31 H new ATOM 0 HD12 LEU A 66 11.842 -23.832 1.697 1.00 30.31 H new ATOM 0 HD13 LEU A 66 10.412 -23.390 0.734 1.00 30.31 H new ATOM 0 HD21 LEU A 66 8.702 -22.504 3.137 1.00 75.35 H new ATOM 0 HD22 LEU A 66 8.098 -23.546 1.827 1.00 75.35 H new ATOM 0 HD23 LEU A 66 7.991 -24.090 3.518 1.00 75.35 H new ATOM 994 N LYS A 67 11.382 -27.449 -0.021 1.00 51.22 N ATOM 995 CA LYS A 67 12.656 -27.896 -0.570 1.00 62.55 C ATOM 996 C LYS A 67 12.790 -27.491 -2.035 1.00 1.12 C ATOM 997 O LYS A 67 13.896 -27.273 -2.529 1.00 21.53 O ATOM 998 CB LYS A 67 12.787 -29.415 -0.437 1.00 22.41 C ATOM 999 CG LYS A 67 12.863 -29.895 1.002 1.00 23.12 C ATOM 1000 CD LYS A 67 14.133 -29.414 1.684 1.00 65.42 C ATOM 1001 CE LYS A 67 15.375 -29.993 1.022 1.00 75.50 C ATOM 1002 NZ LYS A 67 16.273 -30.653 2.009 1.00 30.34 N ATOM 0 H LYS A 67 10.751 -28.204 0.248 1.00 51.22 H new ATOM 0 HA LYS A 67 13.455 -27.417 -0.004 1.00 62.55 H new ATOM 0 HB2 LYS A 67 11.935 -29.889 -0.925 1.00 22.41 H new ATOM 0 HB3 LYS A 67 13.681 -29.742 -0.968 1.00 22.41 H new ATOM 0 HG2 LYS A 67 11.994 -29.535 1.553 1.00 23.12 H new ATOM 0 HG3 LYS A 67 12.826 -30.984 1.026 1.00 23.12 H new ATOM 0 HD2 LYS A 67 14.175 -28.325 1.650 1.00 65.42 H new ATOM 0 HD3 LYS A 67 14.113 -29.700 2.736 1.00 65.42 H new ATOM 0 HE2 LYS A 67 15.078 -30.715 0.262 1.00 75.50 H new ATOM 0 HE3 LYS A 67 15.918 -29.198 0.511 1.00 75.50 H new ATOM 0 HZ1 LYS A 67 17.107 -31.034 1.519 1.00 30.34 H new ATOM 0 HZ2 LYS A 67 16.577 -29.958 2.720 1.00 30.34 H new ATOM 0 HZ3 LYS A 67 15.763 -31.428 2.478 1.00 30.34 H new ATOM 1016 N GLN A 68 11.657 -27.390 -2.722 1.00 50.11 N ATOM 1017 CA GLN A 68 11.649 -27.009 -4.130 1.00 23.43 C ATOM 1018 C GLN A 68 11.635 -25.492 -4.283 1.00 60.14 C ATOM 1019 O GLN A 68 12.034 -24.960 -5.320 1.00 13.12 O ATOM 1020 CB GLN A 68 10.437 -27.617 -4.837 1.00 52.14 C ATOM 1021 CG GLN A 68 9.202 -26.731 -4.798 1.00 43.22 C ATOM 1022 CD GLN A 68 7.915 -27.527 -4.705 1.00 44.40 C ATOM 1023 OE1 GLN A 68 7.825 -28.644 -5.214 1.00 72.12 O ATOM 1024 NE2 GLN A 68 6.911 -26.954 -4.052 1.00 51.01 N ATOM 0 H GLN A 68 10.733 -27.566 -2.327 1.00 50.11 H new ATOM 0 HA GLN A 68 12.559 -27.393 -4.590 1.00 23.43 H new ATOM 0 HB2 GLN A 68 10.697 -27.819 -5.876 1.00 52.14 H new ATOM 0 HB3 GLN A 68 10.201 -28.576 -4.376 1.00 52.14 H new ATOM 0 HG2 GLN A 68 9.270 -26.057 -3.944 1.00 43.22 H new ATOM 0 HG3 GLN A 68 9.177 -26.110 -5.693 1.00 43.22 H new ATOM 0 HE21 GLN A 68 7.030 -26.026 -3.646 1.00 51.01 H new ATOM 0 HE22 GLN A 68 6.020 -27.442 -3.957 1.00 51.01 H new ATOM 1033 N ILE A 69 11.173 -24.802 -3.246 1.00 43.33 N ATOM 1034 CA ILE A 69 11.108 -23.346 -3.266 1.00 41.35 C ATOM 1035 C ILE A 69 12.504 -22.734 -3.311 1.00 1.50 C ATOM 1036 O ILE A 69 12.692 -21.624 -3.810 1.00 41.13 O ATOM 1037 CB ILE A 69 10.359 -22.799 -2.037 1.00 52.42 C ATOM 1038 CG1 ILE A 69 8.877 -23.175 -2.106 1.00 64.15 C ATOM 1039 CG2 ILE A 69 10.524 -21.289 -1.945 1.00 54.01 C ATOM 1040 CD1 ILE A 69 8.125 -22.907 -0.822 1.00 22.33 C ATOM 0 H ILE A 69 10.838 -25.228 -2.382 1.00 43.33 H new ATOM 0 HA ILE A 69 10.562 -23.067 -4.167 1.00 41.35 H new ATOM 0 HB ILE A 69 10.787 -23.247 -1.140 1.00 52.42 H new ATOM 0 HG12 ILE A 69 8.407 -22.618 -2.916 1.00 64.15 H new ATOM 0 HG13 ILE A 69 8.790 -24.233 -2.354 1.00 64.15 H new ATOM 0 HG21 ILE A 69 9.989 -20.917 -1.071 1.00 54.01 H new ATOM 0 HG22 ILE A 69 11.582 -21.043 -1.854 1.00 54.01 H new ATOM 0 HG23 ILE A 69 10.119 -20.823 -2.844 1.00 54.01 H new ATOM 0 HD11 ILE A 69 7.081 -23.197 -0.944 1.00 22.33 H new ATOM 0 HD12 ILE A 69 8.570 -23.485 -0.012 1.00 22.33 H new ATOM 0 HD13 ILE A 69 8.181 -21.845 -0.583 1.00 22.33 H new ATOM 1052 N LYS A 70 13.482 -23.465 -2.787 1.00 12.21 N ATOM 1053 CA LYS A 70 14.863 -22.997 -2.769 1.00 14.23 C ATOM 1054 C LYS A 70 15.496 -23.117 -4.151 1.00 60.01 C ATOM 1055 O LYS A 70 16.387 -22.345 -4.504 1.00 53.41 O ATOM 1056 CB LYS A 70 15.680 -23.795 -1.750 1.00 51.13 C ATOM 1057 CG LYS A 70 16.025 -23.009 -0.497 1.00 51.13 C ATOM 1058 CD LYS A 70 15.080 -23.339 0.646 1.00 22.30 C ATOM 1059 CE LYS A 70 13.988 -22.290 0.787 1.00 33.52 C ATOM 1060 NZ LYS A 70 14.547 -20.946 1.101 1.00 75.30 N ATOM 0 H LYS A 70 13.344 -24.385 -2.369 1.00 12.21 H new ATOM 0 HA LYS A 70 14.861 -21.946 -2.480 1.00 14.23 H new ATOM 0 HB2 LYS A 70 15.121 -24.687 -1.467 1.00 51.13 H new ATOM 0 HB3 LYS A 70 16.602 -24.134 -2.222 1.00 51.13 H new ATOM 0 HG2 LYS A 70 17.050 -23.230 -0.198 1.00 51.13 H new ATOM 0 HG3 LYS A 70 15.979 -21.941 -0.712 1.00 51.13 H new ATOM 0 HD2 LYS A 70 14.628 -24.316 0.475 1.00 22.30 H new ATOM 0 HD3 LYS A 70 15.643 -23.407 1.577 1.00 22.30 H new ATOM 0 HE2 LYS A 70 13.414 -22.237 -0.138 1.00 33.52 H new ATOM 0 HE3 LYS A 70 13.297 -22.589 1.575 1.00 33.52 H new ATOM 0 HZ1 LYS A 70 14.034 -20.536 1.907 1.00 75.30 H new ATOM 0 HZ2 LYS A 70 15.555 -21.037 1.342 1.00 75.30 H new ATOM 0 HZ3 LYS A 70 14.444 -20.325 0.273 1.00 75.30 H new ATOM 1074 N GLN A 71 15.029 -24.089 -4.928 1.00 44.14 N ATOM 1075 CA GLN A 71 15.551 -24.308 -6.272 1.00 72.33 C ATOM 1076 C GLN A 71 14.763 -23.503 -7.300 1.00 51.21 C ATOM 1077 O GLN A 71 15.334 -22.950 -8.240 1.00 61.23 O ATOM 1078 CB GLN A 71 15.500 -25.796 -6.625 1.00 44.11 C ATOM 1079 CG GLN A 71 16.440 -26.186 -7.754 1.00 45.54 C ATOM 1080 CD GLN A 71 17.364 -27.327 -7.377 1.00 71.14 C ATOM 1081 OE1 GLN A 71 16.929 -28.332 -6.814 1.00 24.11 O ATOM 1082 NE2 GLN A 71 18.647 -27.178 -7.687 1.00 74.42 N ATOM 0 H GLN A 71 14.291 -24.737 -4.651 1.00 44.14 H new ATOM 0 HA GLN A 71 16.588 -23.972 -6.291 1.00 72.33 H new ATOM 0 HB2 GLN A 71 15.748 -26.380 -5.739 1.00 44.11 H new ATOM 0 HB3 GLN A 71 14.480 -26.060 -6.905 1.00 44.11 H new ATOM 0 HG2 GLN A 71 15.854 -26.472 -8.627 1.00 45.54 H new ATOM 0 HG3 GLN A 71 17.037 -25.320 -8.040 1.00 45.54 H new ATOM 0 HE21 GLN A 71 18.964 -26.328 -8.154 1.00 74.42 H new ATOM 0 HE22 GLN A 71 19.316 -27.914 -7.458 1.00 74.42 H new ATOM 1091 N ARG A 72 13.448 -23.441 -7.115 1.00 4.14 N ATOM 1092 CA ARG A 72 12.582 -22.704 -8.027 1.00 31.22 C ATOM 1093 C ARG A 72 12.625 -21.208 -7.728 1.00 74.43 C ATOM 1094 O ARG A 72 12.549 -20.381 -8.637 1.00 45.21 O ATOM 1095 CB ARG A 72 11.144 -23.215 -7.922 1.00 72.14 C ATOM 1096 CG ARG A 72 10.751 -24.163 -9.044 1.00 2.20 C ATOM 1097 CD ARG A 72 9.241 -24.246 -9.200 1.00 52.32 C ATOM 1098 NE ARG A 72 8.799 -25.595 -9.541 1.00 20.42 N ATOM 1099 CZ ARG A 72 8.887 -26.111 -10.762 1.00 24.44 C ATOM 1100 NH1 ARG A 72 9.399 -25.394 -11.753 1.00 30.44 N ATOM 1101 NH2 ARG A 72 8.464 -27.347 -10.993 1.00 71.50 N ATOM 0 H ARG A 72 12.959 -23.892 -6.342 1.00 4.14 H new ATOM 0 HA ARG A 72 12.944 -22.864 -9.042 1.00 31.22 H new ATOM 0 HB2 ARG A 72 11.017 -23.724 -6.967 1.00 72.14 H new ATOM 0 HB3 ARG A 72 10.464 -22.363 -7.922 1.00 72.14 H new ATOM 0 HG2 ARG A 72 11.196 -23.825 -9.980 1.00 2.20 H new ATOM 0 HG3 ARG A 72 11.152 -25.156 -8.840 1.00 2.20 H new ATOM 0 HD2 ARG A 72 8.763 -23.932 -8.272 1.00 52.32 H new ATOM 0 HD3 ARG A 72 8.918 -23.552 -9.976 1.00 52.32 H new ATOM 0 HE ARG A 72 8.401 -26.173 -8.801 1.00 20.42 H new ATOM 0 HH11 ARG A 72 9.726 -24.444 -11.579 1.00 30.44 H new ATOM 0 HH12 ARG A 72 9.465 -25.793 -12.690 1.00 30.44 H new ATOM 0 HH21 ARG A 72 8.071 -27.902 -10.233 1.00 71.50 H new ATOM 0 HH22 ARG A 72 8.532 -27.742 -11.931 1.00 71.50 H new ATOM 1115 N HIS A 73 12.745 -20.869 -6.449 1.00 2.32 N ATOM 1116 CA HIS A 73 12.798 -19.472 -6.030 1.00 71.52 C ATOM 1117 C HIS A 73 13.825 -19.277 -4.919 1.00 13.13 C ATOM 1118 O HIS A 73 13.483 -19.097 -3.750 1.00 23.24 O ATOM 1119 CB HIS A 73 11.421 -19.008 -5.556 1.00 33.05 C ATOM 1120 CG HIS A 73 10.289 -19.570 -6.360 1.00 20.13 C ATOM 1121 ND1 HIS A 73 9.841 -18.997 -7.531 1.00 63.55 N ATOM 1122 CD2 HIS A 73 9.514 -20.661 -6.156 1.00 22.03 C ATOM 1123 CE1 HIS A 73 8.839 -19.711 -8.013 1.00 12.25 C ATOM 1124 NE2 HIS A 73 8.621 -20.726 -7.196 1.00 72.35 N ATOM 0 H HIS A 73 12.807 -21.541 -5.685 1.00 2.32 H new ATOM 0 HA HIS A 73 13.100 -18.871 -6.888 1.00 71.52 H new ATOM 0 HB2 HIS A 73 11.290 -19.293 -4.512 1.00 33.05 H new ATOM 0 HB3 HIS A 73 11.380 -17.920 -5.597 1.00 33.05 H new ATOM 0 HD1 HIS A 73 10.223 -18.154 -7.959 1.00 63.55 H new ATOM 0 HD2 HIS A 73 9.585 -21.352 -5.329 1.00 22.03 H new ATOM 0 HE1 HIS A 73 8.292 -19.501 -8.920 1.00 12.25 H new ATOM 1132 N PRO A 74 15.113 -19.313 -5.290 1.00 22.14 N ATOM 1133 CA PRO A 74 16.216 -19.142 -4.339 1.00 33.02 C ATOM 1134 C PRO A 74 16.307 -17.716 -3.808 1.00 1.44 C ATOM 1135 O PRO A 74 16.589 -17.499 -2.629 1.00 61.15 O ATOM 1136 CB PRO A 74 17.456 -19.484 -5.168 1.00 72.14 C ATOM 1137 CG PRO A 74 17.059 -19.202 -6.576 1.00 63.24 C ATOM 1138 CD PRO A 74 15.593 -19.523 -6.666 1.00 30.21 C ATOM 0 HA PRO A 74 16.092 -19.767 -3.455 1.00 33.02 H new ATOM 0 HB2 PRO A 74 18.312 -18.879 -4.869 1.00 72.14 H new ATOM 0 HB3 PRO A 74 17.743 -20.528 -5.039 1.00 72.14 H new ATOM 0 HG2 PRO A 74 17.246 -18.159 -6.833 1.00 63.24 H new ATOM 0 HG3 PRO A 74 17.635 -19.811 -7.273 1.00 63.24 H new ATOM 0 HD2 PRO A 74 15.082 -18.871 -7.374 1.00 30.21 H new ATOM 0 HD3 PRO A 74 15.426 -20.548 -6.998 1.00 30.21 H new ATOM 1146 N MET A 75 16.066 -16.746 -4.684 1.00 64.12 N ATOM 1147 CA MET A 75 16.120 -15.340 -4.302 1.00 1.14 C ATOM 1148 C MET A 75 14.843 -14.924 -3.579 1.00 12.10 C ATOM 1149 O MET A 75 14.704 -13.776 -3.153 1.00 72.43 O ATOM 1150 CB MET A 75 16.331 -14.461 -5.536 1.00 72.11 C ATOM 1151 CG MET A 75 15.301 -14.693 -6.630 1.00 64.32 C ATOM 1152 SD MET A 75 14.420 -13.188 -7.086 1.00 3.42 S ATOM 1153 CE MET A 75 13.183 -13.115 -5.792 1.00 44.44 C ATOM 0 H MET A 75 15.831 -16.908 -5.663 1.00 64.12 H new ATOM 0 HA MET A 75 16.962 -15.206 -3.622 1.00 1.14 H new ATOM 0 HB2 MET A 75 16.300 -13.414 -5.236 1.00 72.11 H new ATOM 0 HB3 MET A 75 17.326 -14.648 -5.939 1.00 72.11 H new ATOM 0 HG2 MET A 75 15.798 -15.099 -7.511 1.00 64.32 H new ATOM 0 HG3 MET A 75 14.583 -15.442 -6.295 1.00 64.32 H new ATOM 0 HE1 MET A 75 12.268 -12.675 -6.188 1.00 44.44 H new ATOM 0 HE2 MET A 75 12.975 -14.122 -5.431 1.00 44.44 H new ATOM 0 HE3 MET A 75 13.553 -12.503 -4.969 1.00 44.44 H new ATOM 1163 N LEU A 76 13.912 -15.862 -3.444 1.00 24.41 N ATOM 1164 CA LEU A 76 12.646 -15.593 -2.773 1.00 34.04 C ATOM 1165 C LEU A 76 12.709 -16.002 -1.305 1.00 24.44 C ATOM 1166 O LEU A 76 12.856 -17.178 -0.968 1.00 53.33 O ATOM 1167 CB LEU A 76 11.507 -16.337 -3.472 1.00 53.12 C ATOM 1168 CG LEU A 76 10.186 -16.416 -2.706 1.00 12.50 C ATOM 1169 CD1 LEU A 76 9.571 -15.032 -2.558 1.00 24.31 C ATOM 1170 CD2 LEU A 76 9.218 -17.359 -3.406 1.00 44.42 C ATOM 0 H LEU A 76 14.011 -16.816 -3.791 1.00 24.41 H new ATOM 0 HA LEU A 76 12.458 -14.521 -2.825 1.00 34.04 H new ATOM 0 HB2 LEU A 76 11.319 -15.854 -4.431 1.00 53.12 H new ATOM 0 HB3 LEU A 76 11.841 -17.352 -3.686 1.00 53.12 H new ATOM 0 HG LEU A 76 10.389 -16.810 -1.710 1.00 12.50 H new ATOM 0 HD11 LEU A 76 8.632 -15.108 -2.010 1.00 24.31 H new ATOM 0 HD12 LEU A 76 10.258 -14.385 -2.012 1.00 24.31 H new ATOM 0 HD13 LEU A 76 9.382 -14.610 -3.545 1.00 24.31 H new ATOM 0 HD21 LEU A 76 8.284 -17.402 -2.846 1.00 44.42 H new ATOM 0 HD22 LEU A 76 9.021 -16.995 -4.414 1.00 44.42 H new ATOM 0 HD23 LEU A 76 9.656 -18.356 -3.459 1.00 44.42 H new ATOM 1182 N PRO A 77 12.595 -15.011 -0.408 1.00 61.31 N ATOM 1183 CA PRO A 77 12.634 -15.244 1.039 1.00 61.23 C ATOM 1184 C PRO A 77 11.394 -15.975 1.542 1.00 53.41 C ATOM 1185 O PRO A 77 10.272 -15.664 1.140 1.00 2.12 O ATOM 1186 CB PRO A 77 12.697 -13.831 1.624 1.00 72.21 C ATOM 1187 CG PRO A 77 12.073 -12.963 0.586 1.00 32.42 C ATOM 1188 CD PRO A 77 12.418 -13.587 -0.738 1.00 24.13 C ATOM 0 HA PRO A 77 13.473 -15.877 1.328 1.00 61.23 H new ATOM 0 HB2 PRO A 77 12.157 -13.769 2.569 1.00 72.21 H new ATOM 0 HB3 PRO A 77 13.726 -13.531 1.825 1.00 72.21 H new ATOM 0 HG2 PRO A 77 10.993 -12.908 0.722 1.00 32.42 H new ATOM 0 HG3 PRO A 77 12.455 -11.944 0.648 1.00 32.42 H new ATOM 0 HD2 PRO A 77 11.624 -13.440 -1.471 1.00 24.13 H new ATOM 0 HD3 PRO A 77 13.326 -13.157 -1.161 1.00 24.13 H new ATOM 1196 N VAL A 78 11.602 -16.947 2.424 1.00 2.00 N ATOM 1197 CA VAL A 78 10.500 -17.721 2.984 1.00 44.35 C ATOM 1198 C VAL A 78 10.684 -17.934 4.482 1.00 52.11 C ATOM 1199 O VAL A 78 11.794 -17.822 5.004 1.00 74.34 O ATOM 1200 CB VAL A 78 10.370 -19.091 2.293 1.00 33.53 C ATOM 1201 CG1 VAL A 78 9.032 -19.733 2.628 1.00 54.42 C ATOM 1202 CG2 VAL A 78 10.540 -18.948 0.788 1.00 22.15 C ATOM 0 H VAL A 78 12.524 -17.218 2.767 1.00 2.00 H new ATOM 0 HA VAL A 78 9.589 -17.147 2.811 1.00 44.35 H new ATOM 0 HB VAL A 78 11.162 -19.742 2.664 1.00 33.53 H new ATOM 0 HG11 VAL A 78 8.958 -20.700 2.131 1.00 54.42 H new ATOM 0 HG12 VAL A 78 8.955 -19.872 3.706 1.00 54.42 H new ATOM 0 HG13 VAL A 78 8.223 -19.087 2.287 1.00 54.42 H new ATOM 0 HG21 VAL A 78 10.445 -19.926 0.317 1.00 22.15 H new ATOM 0 HG22 VAL A 78 9.772 -18.281 0.397 1.00 22.15 H new ATOM 0 HG23 VAL A 78 11.525 -18.535 0.571 1.00 22.15 H new ATOM 1212 N ILE A 79 9.589 -18.242 5.168 1.00 14.45 N ATOM 1213 CA ILE A 79 9.629 -18.472 6.607 1.00 21.22 C ATOM 1214 C ILE A 79 8.915 -19.768 6.977 1.00 51.24 C ATOM 1215 O ILE A 79 7.782 -20.005 6.556 1.00 22.52 O ATOM 1216 CB ILE A 79 8.987 -17.306 7.382 1.00 25.35 C ATOM 1217 CG1 ILE A 79 9.460 -15.966 6.815 1.00 25.32 C ATOM 1218 CG2 ILE A 79 9.321 -17.408 8.863 1.00 32.14 C ATOM 1219 CD1 ILE A 79 8.805 -14.769 7.467 1.00 72.11 C ATOM 0 H ILE A 79 8.663 -18.338 4.751 1.00 14.45 H new ATOM 0 HA ILE A 79 10.680 -18.547 6.885 1.00 21.22 H new ATOM 0 HB ILE A 79 7.905 -17.365 7.268 1.00 25.35 H new ATOM 0 HG12 ILE A 79 10.540 -15.890 6.937 1.00 25.32 H new ATOM 0 HG13 ILE A 79 9.258 -15.942 5.744 1.00 25.32 H new ATOM 0 HG21 ILE A 79 8.861 -16.577 9.398 1.00 32.14 H new ATOM 0 HG22 ILE A 79 8.940 -18.350 9.258 1.00 32.14 H new ATOM 0 HG23 ILE A 79 10.402 -17.370 8.996 1.00 32.14 H new ATOM 0 HD11 ILE A 79 9.188 -13.854 7.015 1.00 72.11 H new ATOM 0 HD12 ILE A 79 7.726 -14.821 7.322 1.00 72.11 H new ATOM 0 HD13 ILE A 79 9.028 -14.768 8.534 1.00 72.11 H new ATOM 1231 N ILE A 80 9.584 -20.601 7.766 1.00 33.23 N ATOM 1232 CA ILE A 80 9.012 -21.871 8.195 1.00 75.40 C ATOM 1233 C ILE A 80 8.351 -21.743 9.563 1.00 10.24 C ATOM 1234 O ILE A 80 8.869 -21.068 10.453 1.00 53.13 O ATOM 1235 CB ILE A 80 10.080 -22.979 8.255 1.00 4.53 C ATOM 1236 CG1 ILE A 80 10.434 -23.454 6.845 1.00 53.04 C ATOM 1237 CG2 ILE A 80 9.591 -24.142 9.105 1.00 12.41 C ATOM 1238 CD1 ILE A 80 9.423 -24.416 6.260 1.00 22.25 C ATOM 0 H ILE A 80 10.523 -20.419 8.121 1.00 33.23 H new ATOM 0 HA ILE A 80 8.260 -22.143 7.455 1.00 75.40 H new ATOM 0 HB ILE A 80 10.979 -22.571 8.717 1.00 4.53 H new ATOM 0 HG12 ILE A 80 10.521 -22.587 6.189 1.00 53.04 H new ATOM 0 HG13 ILE A 80 11.411 -23.936 6.867 1.00 53.04 H new ATOM 0 HG21 ILE A 80 10.357 -24.917 9.137 1.00 12.41 H new ATOM 0 HG22 ILE A 80 9.386 -23.792 10.117 1.00 12.41 H new ATOM 0 HG23 ILE A 80 8.679 -24.552 8.671 1.00 12.41 H new ATOM 0 HD11 ILE A 80 9.738 -24.711 5.259 1.00 22.25 H new ATOM 0 HD12 ILE A 80 9.353 -25.300 6.894 1.00 22.25 H new ATOM 0 HD13 ILE A 80 8.448 -23.931 6.205 1.00 22.25 H new ATOM 1250 N MET A 81 7.205 -22.397 9.725 1.00 2.40 N ATOM 1251 CA MET A 81 6.475 -22.358 10.987 1.00 41.12 C ATOM 1252 C MET A 81 6.156 -23.768 11.474 1.00 55.35 C ATOM 1253 O MET A 81 5.484 -24.537 10.785 1.00 51.43 O ATOM 1254 CB MET A 81 5.182 -21.555 10.828 1.00 24.22 C ATOM 1255 CG MET A 81 5.354 -20.068 11.093 1.00 20.20 C ATOM 1256 SD MET A 81 4.463 -19.044 9.906 1.00 31.04 S ATOM 1257 CE MET A 81 2.911 -19.930 9.793 1.00 75.22 C ATOM 0 H MET A 81 6.762 -22.960 8.999 1.00 2.40 H new ATOM 0 HA MET A 81 7.107 -21.871 11.729 1.00 41.12 H new ATOM 0 HB2 MET A 81 4.800 -21.694 9.817 1.00 24.22 H new ATOM 0 HB3 MET A 81 4.431 -21.953 11.510 1.00 24.22 H new ATOM 0 HG2 MET A 81 5.004 -19.839 12.099 1.00 20.20 H new ATOM 0 HG3 MET A 81 6.414 -19.817 11.060 1.00 20.20 H new ATOM 0 HE1 MET A 81 2.107 -19.229 9.570 1.00 75.22 H new ATOM 0 HE2 MET A 81 2.974 -20.674 8.999 1.00 75.22 H new ATOM 0 HE3 MET A 81 2.706 -20.427 10.741 1.00 75.22 H new ATOM 1267 N THR A 82 6.641 -24.102 12.665 1.00 20.12 N ATOM 1268 CA THR A 82 6.408 -25.420 13.243 1.00 43.30 C ATOM 1269 C THR A 82 6.863 -25.471 14.697 1.00 44.40 C ATOM 1270 O THR A 82 6.230 -26.113 15.533 1.00 35.24 O ATOM 1271 CB THR A 82 7.140 -26.518 12.449 1.00 30.42 C ATOM 1272 OG1 THR A 82 6.802 -27.808 12.972 1.00 51.01 O ATOM 1273 CG2 THR A 82 8.647 -26.319 12.512 1.00 32.22 C ATOM 0 H THR A 82 7.198 -23.478 13.249 1.00 20.12 H new ATOM 0 HA THR A 82 5.334 -25.601 13.195 1.00 43.30 H new ATOM 0 HB THR A 82 6.825 -26.454 11.408 1.00 30.42 H new ATOM 0 HG1 THR A 82 6.840 -28.473 12.253 1.00 51.01 H new ATOM 0 HG21 THR A 82 9.142 -27.107 11.944 1.00 32.22 H new ATOM 0 HG22 THR A 82 8.904 -25.349 12.087 1.00 32.22 H new ATOM 0 HG23 THR A 82 8.976 -26.359 13.550 1.00 32.22 H new ATOM 1281 N ALA A 83 7.965 -24.789 14.991 1.00 4.55 N ATOM 1282 CA ALA A 83 8.503 -24.754 16.346 1.00 64.13 C ATOM 1283 C ALA A 83 8.808 -26.160 16.852 1.00 75.25 C ATOM 1284 O ALA A 83 8.782 -27.125 16.087 1.00 71.13 O ATOM 1285 CB ALA A 83 7.531 -24.053 17.282 1.00 32.14 C ATOM 0 H ALA A 83 8.503 -24.253 14.310 1.00 4.55 H new ATOM 0 HA ALA A 83 9.437 -24.193 16.325 1.00 64.13 H new ATOM 0 HB1 ALA A 83 7.946 -24.034 18.290 1.00 32.14 H new ATOM 0 HB2 ALA A 83 7.367 -23.032 16.938 1.00 32.14 H new ATOM 0 HB3 ALA A 83 6.582 -24.590 17.290 1.00 32.14 H new ATOM 1291 N HIS A 84 9.096 -26.270 18.145 1.00 40.45 N ATOM 1292 CA HIS A 84 9.405 -27.559 18.752 1.00 4.14 C ATOM 1293 C HIS A 84 10.595 -28.215 18.058 1.00 30.32 C ATOM 1294 O HIS A 84 11.347 -27.558 17.339 1.00 53.42 O ATOM 1295 CB HIS A 84 8.189 -28.482 18.687 1.00 33.41 C ATOM 1296 CG HIS A 84 6.899 -27.758 18.453 1.00 72.10 C ATOM 1297 ND1 HIS A 84 5.860 -28.290 17.719 1.00 54.31 N ATOM 1298 CD2 HIS A 84 6.482 -26.537 18.862 1.00 2.03 C ATOM 1299 CE1 HIS A 84 4.860 -27.426 17.685 1.00 23.33 C ATOM 1300 NE2 HIS A 84 5.213 -26.354 18.372 1.00 34.41 N ATOM 0 H HIS A 84 9.122 -25.482 18.792 1.00 40.45 H new ATOM 0 HA HIS A 84 9.665 -27.388 19.796 1.00 4.14 H new ATOM 0 HB2 HIS A 84 8.338 -29.209 17.889 1.00 33.41 H new ATOM 0 HB3 HIS A 84 8.118 -29.042 19.620 1.00 33.41 H new ATOM 0 HD2 HIS A 84 7.044 -25.837 19.462 1.00 2.03 H new ATOM 0 HE1 HIS A 84 3.916 -27.572 17.182 1.00 23.33 H new ATOM 0 HE2 HIS A 84 4.636 -25.525 18.515 1.00 34.41 H new ATOM 1308 N SER A 85 10.760 -29.516 18.280 1.00 54.52 N ATOM 1309 CA SER A 85 11.860 -30.260 17.679 1.00 4.13 C ATOM 1310 C SER A 85 11.823 -30.153 16.158 1.00 53.52 C ATOM 1311 O SER A 85 12.847 -30.290 15.489 1.00 22.22 O ATOM 1312 CB SER A 85 11.799 -31.730 18.100 1.00 45.42 C ATOM 1313 OG SER A 85 13.091 -32.226 18.407 1.00 33.11 O ATOM 0 H SER A 85 10.146 -30.076 18.872 1.00 54.52 H new ATOM 0 HA SER A 85 12.795 -29.826 18.033 1.00 4.13 H new ATOM 0 HB2 SER A 85 11.149 -31.836 18.969 1.00 45.42 H new ATOM 0 HB3 SER A 85 11.359 -32.323 17.298 1.00 45.42 H new ATOM 0 HG SER A 85 13.025 -33.166 18.675 1.00 33.11 H new ATOM 1319 N ASP A 86 10.634 -29.906 15.618 1.00 43.11 N ATOM 1320 CA ASP A 86 10.461 -29.779 14.176 1.00 43.35 C ATOM 1321 C ASP A 86 11.454 -28.776 13.596 1.00 53.44 C ATOM 1322 O ASP A 86 11.927 -28.935 12.470 1.00 41.44 O ATOM 1323 CB ASP A 86 9.031 -29.347 13.848 1.00 71.40 C ATOM 1324 CG ASP A 86 7.994 -30.199 14.553 1.00 14.01 C ATOM 1325 OD1 ASP A 86 7.712 -29.930 15.740 1.00 53.12 O ATOM 1326 OD2 ASP A 86 7.463 -31.134 13.918 1.00 1.11 O ATOM 0 H ASP A 86 9.776 -29.790 16.158 1.00 43.11 H new ATOM 0 HA ASP A 86 10.650 -30.753 13.725 1.00 43.35 H new ATOM 0 HB2 ASP A 86 8.895 -28.304 14.133 1.00 71.40 H new ATOM 0 HB3 ASP A 86 8.874 -29.406 12.771 1.00 71.40 H new ATOM 1331 N LEU A 87 11.764 -27.742 14.371 1.00 73.42 N ATOM 1332 CA LEU A 87 12.699 -26.712 13.934 1.00 3.20 C ATOM 1333 C LEU A 87 14.126 -27.251 13.900 1.00 51.31 C ATOM 1334 O LEU A 87 14.928 -26.859 13.052 1.00 10.11 O ATOM 1335 CB LEU A 87 12.622 -25.499 14.863 1.00 43.35 C ATOM 1336 CG LEU A 87 12.237 -24.173 14.205 1.00 64.25 C ATOM 1337 CD1 LEU A 87 10.856 -24.270 13.577 1.00 74.22 C ATOM 1338 CD2 LEU A 87 12.286 -23.040 15.219 1.00 30.12 C ATOM 0 H LEU A 87 11.381 -27.595 15.305 1.00 73.42 H new ATOM 0 HA LEU A 87 12.421 -26.408 12.925 1.00 3.20 H new ATOM 0 HB2 LEU A 87 11.899 -25.714 15.650 1.00 43.35 H new ATOM 0 HB3 LEU A 87 13.591 -25.374 15.346 1.00 43.35 H new ATOM 0 HG LEU A 87 12.958 -23.958 13.416 1.00 64.25 H new ATOM 0 HD11 LEU A 87 10.599 -23.317 13.114 1.00 74.22 H new ATOM 0 HD12 LEU A 87 10.855 -25.054 12.819 1.00 74.22 H new ATOM 0 HD13 LEU A 87 10.122 -24.509 14.347 1.00 74.22 H new ATOM 0 HD21 LEU A 87 12.009 -22.104 14.733 1.00 30.12 H new ATOM 0 HD22 LEU A 87 11.589 -23.248 16.030 1.00 30.12 H new ATOM 0 HD23 LEU A 87 13.296 -22.955 15.621 1.00 30.12 H new ATOM 1350 N ASP A 88 14.434 -28.152 14.826 1.00 64.25 N ATOM 1351 CA ASP A 88 15.763 -28.748 14.900 1.00 44.13 C ATOM 1352 C ASP A 88 16.169 -29.340 13.554 1.00 63.13 C ATOM 1353 O ASP A 88 17.355 -29.438 13.240 1.00 42.22 O ATOM 1354 CB ASP A 88 15.801 -29.831 15.979 1.00 12.43 C ATOM 1355 CG ASP A 88 17.166 -29.956 16.627 1.00 12.50 C ATOM 1356 OD1 ASP A 88 17.457 -29.170 17.554 1.00 63.43 O ATOM 1357 OD2 ASP A 88 17.942 -30.839 16.208 1.00 43.12 O ATOM 0 H ASP A 88 13.782 -28.486 15.536 1.00 64.25 H new ATOM 0 HA ASP A 88 16.472 -27.962 15.160 1.00 44.13 H new ATOM 0 HB2 ASP A 88 15.059 -29.604 16.744 1.00 12.43 H new ATOM 0 HB3 ASP A 88 15.522 -30.788 15.539 1.00 12.43 H new ATOM 1362 N ALA A 89 15.177 -29.735 12.763 1.00 13.21 N ATOM 1363 CA ALA A 89 15.430 -30.316 11.451 1.00 64.52 C ATOM 1364 C ALA A 89 15.576 -29.232 10.389 1.00 71.25 C ATOM 1365 O ALA A 89 16.271 -29.418 9.390 1.00 54.21 O ATOM 1366 CB ALA A 89 14.314 -31.279 11.076 1.00 74.35 C ATOM 0 H ALA A 89 14.190 -29.663 13.009 1.00 13.21 H new ATOM 0 HA ALA A 89 16.369 -30.867 11.500 1.00 64.52 H new ATOM 0 HB1 ALA A 89 14.516 -31.705 10.093 1.00 74.35 H new ATOM 0 HB2 ALA A 89 14.260 -32.079 11.815 1.00 74.35 H new ATOM 0 HB3 ALA A 89 13.365 -30.744 11.051 1.00 74.35 H new ATOM 1372 N ALA A 90 14.916 -28.100 10.611 1.00 74.45 N ATOM 1373 CA ALA A 90 14.973 -26.986 9.673 1.00 71.03 C ATOM 1374 C ALA A 90 16.189 -26.106 9.940 1.00 43.15 C ATOM 1375 O ALA A 90 16.623 -25.349 9.071 1.00 0.10 O ATOM 1376 CB ALA A 90 13.696 -26.163 9.752 1.00 12.14 C ATOM 0 H ALA A 90 14.336 -27.930 11.432 1.00 74.45 H new ATOM 0 HA ALA A 90 15.067 -27.395 8.667 1.00 71.03 H new ATOM 0 HB1 ALA A 90 13.753 -25.335 9.046 1.00 12.14 H new ATOM 0 HB2 ALA A 90 12.841 -26.793 9.505 1.00 12.14 H new ATOM 0 HB3 ALA A 90 13.578 -25.771 10.762 1.00 12.14 H new ATOM 1382 N VAL A 91 16.736 -26.210 11.147 1.00 53.21 N ATOM 1383 CA VAL A 91 17.903 -25.423 11.528 1.00 32.30 C ATOM 1384 C VAL A 91 19.001 -25.524 10.476 1.00 61.34 C ATOM 1385 O VAL A 91 19.450 -24.515 9.933 1.00 2.43 O ATOM 1386 CB VAL A 91 18.466 -25.878 12.888 1.00 43.15 C ATOM 1387 CG1 VAL A 91 19.837 -25.265 13.129 1.00 23.13 C ATOM 1388 CG2 VAL A 91 17.506 -25.515 14.010 1.00 33.40 C ATOM 0 H VAL A 91 16.390 -26.832 11.878 1.00 53.21 H new ATOM 0 HA VAL A 91 17.575 -24.387 11.607 1.00 32.30 H new ATOM 0 HB VAL A 91 18.576 -26.962 12.872 1.00 43.15 H new ATOM 0 HG11 VAL A 91 20.220 -25.597 14.094 1.00 23.13 H new ATOM 0 HG12 VAL A 91 20.520 -25.580 12.340 1.00 23.13 H new ATOM 0 HG13 VAL A 91 19.755 -24.178 13.126 1.00 23.13 H new ATOM 0 HG21 VAL A 91 17.920 -25.844 14.963 1.00 33.40 H new ATOM 0 HG22 VAL A 91 17.362 -24.435 14.030 1.00 33.40 H new ATOM 0 HG23 VAL A 91 16.547 -26.006 13.842 1.00 33.40 H new ATOM 1398 N SER A 92 19.429 -26.750 10.191 1.00 44.02 N ATOM 1399 CA SER A 92 20.478 -26.983 9.205 1.00 62.50 C ATOM 1400 C SER A 92 19.889 -27.107 7.803 1.00 15.33 C ATOM 1401 O SER A 92 20.433 -26.569 6.840 1.00 61.25 O ATOM 1402 CB SER A 92 21.263 -28.250 9.554 1.00 55.12 C ATOM 1403 OG SER A 92 22.190 -28.573 8.532 1.00 32.01 O ATOM 0 H SER A 92 19.066 -27.597 10.629 1.00 44.02 H new ATOM 0 HA SER A 92 21.154 -26.128 9.222 1.00 62.50 H new ATOM 0 HB2 SER A 92 21.791 -28.106 10.496 1.00 55.12 H new ATOM 0 HB3 SER A 92 20.573 -29.081 9.699 1.00 55.12 H new ATOM 0 HG SER A 92 22.680 -29.385 8.779 1.00 32.01 H new ATOM 1409 N ALA A 93 18.771 -27.819 7.699 1.00 44.03 N ATOM 1410 CA ALA A 93 18.106 -28.012 6.416 1.00 13.05 C ATOM 1411 C ALA A 93 17.679 -26.678 5.813 1.00 31.12 C ATOM 1412 O ALA A 93 18.150 -26.291 4.743 1.00 14.45 O ATOM 1413 CB ALA A 93 16.902 -28.929 6.579 1.00 5.12 C ATOM 0 H ALA A 93 18.307 -28.271 8.487 1.00 44.03 H new ATOM 0 HA ALA A 93 18.816 -28.479 5.733 1.00 13.05 H new ATOM 0 HB1 ALA A 93 16.415 -29.065 5.614 1.00 5.12 H new ATOM 0 HB2 ALA A 93 17.230 -29.896 6.959 1.00 5.12 H new ATOM 0 HB3 ALA A 93 16.198 -28.483 7.281 1.00 5.12 H new ATOM 1419 N TYR A 94 16.785 -25.980 6.505 1.00 60.40 N ATOM 1420 CA TYR A 94 16.292 -24.691 6.035 1.00 4.15 C ATOM 1421 C TYR A 94 17.446 -23.722 5.794 1.00 30.02 C ATOM 1422 O TYR A 94 17.306 -22.745 5.059 1.00 61.22 O ATOM 1423 CB TYR A 94 15.315 -24.095 7.050 1.00 53.24 C ATOM 1424 CG TYR A 94 14.332 -23.119 6.442 1.00 31.42 C ATOM 1425 CD1 TYR A 94 13.695 -23.403 5.240 1.00 0.21 C ATOM 1426 CD2 TYR A 94 14.041 -21.914 7.069 1.00 31.44 C ATOM 1427 CE1 TYR A 94 12.797 -22.514 4.681 1.00 71.51 C ATOM 1428 CE2 TYR A 94 13.143 -21.021 6.518 1.00 1.22 C ATOM 1429 CZ TYR A 94 12.524 -21.325 5.324 1.00 71.21 C ATOM 1430 OH TYR A 94 11.630 -20.437 4.771 1.00 60.11 O ATOM 0 H TYR A 94 16.387 -26.285 7.393 1.00 60.40 H new ATOM 0 HA TYR A 94 15.772 -24.851 5.090 1.00 4.15 H new ATOM 0 HB2 TYR A 94 14.763 -24.904 7.529 1.00 53.24 H new ATOM 0 HB3 TYR A 94 15.880 -23.589 7.832 1.00 53.24 H new ATOM 0 HD1 TYR A 94 13.905 -24.334 4.734 1.00 0.21 H new ATOM 0 HD2 TYR A 94 14.525 -21.671 8.003 1.00 31.44 H new ATOM 0 HE1 TYR A 94 12.311 -22.749 3.745 1.00 71.51 H new ATOM 0 HE2 TYR A 94 12.927 -20.089 7.020 1.00 1.22 H new ATOM 0 HH TYR A 94 10.728 -20.634 5.099 1.00 60.11 H new ATOM 1440 N GLN A 95 18.585 -24.001 6.419 1.00 23.51 N ATOM 1441 CA GLN A 95 19.764 -23.155 6.273 1.00 74.21 C ATOM 1442 C GLN A 95 20.367 -23.298 4.879 1.00 20.25 C ATOM 1443 O GLN A 95 21.392 -22.691 4.572 1.00 1.42 O ATOM 1444 CB GLN A 95 20.808 -23.511 7.333 1.00 53.03 C ATOM 1445 CG GLN A 95 20.855 -22.530 8.493 1.00 21.43 C ATOM 1446 CD GLN A 95 21.659 -21.286 8.173 1.00 2.33 C ATOM 1447 OE1 GLN A 95 21.099 -20.215 7.935 1.00 64.21 O ATOM 1448 NE2 GLN A 95 22.980 -21.420 8.166 1.00 3.45 N ATOM 0 H GLN A 95 18.717 -24.806 7.031 1.00 23.51 H new ATOM 0 HA GLN A 95 19.456 -22.119 6.411 1.00 74.21 H new ATOM 0 HB2 GLN A 95 20.596 -24.508 7.719 1.00 53.03 H new ATOM 0 HB3 GLN A 95 21.791 -23.553 6.863 1.00 53.03 H new ATOM 0 HG2 GLN A 95 19.839 -22.242 8.762 1.00 21.43 H new ATOM 0 HG3 GLN A 95 21.287 -23.023 9.364 1.00 21.43 H new ATOM 0 HE21 GLN A 95 23.402 -22.326 8.369 1.00 3.45 H new ATOM 0 HE22 GLN A 95 23.573 -20.617 7.958 1.00 3.45 H new ATOM 1457 N GLN A 96 19.724 -24.105 4.042 1.00 62.24 N ATOM 1458 CA GLN A 96 20.199 -24.328 2.681 1.00 21.32 C ATOM 1459 C GLN A 96 19.906 -23.120 1.797 1.00 33.53 C ATOM 1460 O GLN A 96 19.730 -23.252 0.587 1.00 62.41 O ATOM 1461 CB GLN A 96 19.547 -25.579 2.089 1.00 15.23 C ATOM 1462 CG GLN A 96 20.212 -26.875 2.522 1.00 32.25 C ATOM 1463 CD GLN A 96 19.307 -28.080 2.356 1.00 15.31 C ATOM 1464 OE1 GLN A 96 18.940 -28.735 3.332 1.00 2.12 O ATOM 1465 NE2 GLN A 96 18.940 -28.378 1.115 1.00 30.32 N ATOM 0 H GLN A 96 18.874 -24.615 4.281 1.00 62.24 H new ATOM 0 HA GLN A 96 21.279 -24.473 2.719 1.00 21.32 H new ATOM 0 HB2 GLN A 96 18.497 -25.604 2.381 1.00 15.23 H new ATOM 0 HB3 GLN A 96 19.574 -25.512 1.001 1.00 15.23 H new ATOM 0 HG2 GLN A 96 21.121 -27.025 1.939 1.00 32.25 H new ATOM 0 HG3 GLN A 96 20.513 -26.793 3.566 1.00 32.25 H new ATOM 0 HE21 GLN A 96 19.268 -27.808 0.335 1.00 30.32 H new ATOM 0 HE22 GLN A 96 18.330 -29.177 0.941 1.00 30.32 H new ATOM 1474 N GLY A 97 19.854 -21.942 2.412 1.00 73.34 N ATOM 1475 CA GLY A 97 19.581 -20.728 1.665 1.00 32.02 C ATOM 1476 C GLY A 97 18.200 -20.171 1.949 1.00 10.12 C ATOM 1477 O GLY A 97 17.563 -19.594 1.068 1.00 32.24 O ATOM 0 H GLY A 97 19.996 -21.807 3.413 1.00 73.34 H new ATOM 0 HA2 GLY A 97 20.331 -19.976 1.913 1.00 32.02 H new ATOM 0 HA3 GLY A 97 19.675 -20.932 0.598 1.00 32.02 H new ATOM 1481 N ALA A 98 17.736 -20.345 3.182 1.00 14.33 N ATOM 1482 CA ALA A 98 16.422 -19.855 3.580 1.00 53.41 C ATOM 1483 C ALA A 98 16.537 -18.806 4.681 1.00 41.33 C ATOM 1484 O ALA A 98 17.507 -18.792 5.439 1.00 13.54 O ATOM 1485 CB ALA A 98 15.544 -21.010 4.039 1.00 42.23 C ATOM 0 H ALA A 98 18.251 -20.822 3.923 1.00 14.33 H new ATOM 0 HA ALA A 98 15.960 -19.384 2.712 1.00 53.41 H new ATOM 0 HB1 ALA A 98 14.566 -20.629 4.333 1.00 42.23 H new ATOM 0 HB2 ALA A 98 15.425 -21.723 3.223 1.00 42.23 H new ATOM 0 HB3 ALA A 98 16.011 -21.506 4.890 1.00 42.23 H new ATOM 1491 N PHE A 99 15.542 -17.928 4.762 1.00 24.32 N ATOM 1492 CA PHE A 99 15.533 -16.874 5.770 1.00 64.13 C ATOM 1493 C PHE A 99 15.151 -17.432 7.137 1.00 34.13 C ATOM 1494 O PHE A 99 14.417 -18.416 7.235 1.00 13.21 O ATOM 1495 CB PHE A 99 14.560 -15.764 5.368 1.00 33.25 C ATOM 1496 CG PHE A 99 14.252 -14.805 6.483 1.00 70.04 C ATOM 1497 CD1 PHE A 99 15.067 -13.709 6.716 1.00 24.42 C ATOM 1498 CD2 PHE A 99 13.147 -14.999 7.296 1.00 41.42 C ATOM 1499 CE1 PHE A 99 14.787 -12.826 7.741 1.00 11.23 C ATOM 1500 CE2 PHE A 99 12.861 -14.118 8.322 1.00 22.12 C ATOM 1501 CZ PHE A 99 13.682 -13.030 8.544 1.00 12.35 C ATOM 0 H PHE A 99 14.732 -17.926 4.142 1.00 24.32 H new ATOM 0 HA PHE A 99 16.539 -16.459 5.836 1.00 64.13 H new ATOM 0 HB2 PHE A 99 14.980 -15.210 4.528 1.00 33.25 H new ATOM 0 HB3 PHE A 99 13.631 -16.215 5.020 1.00 33.25 H new ATOM 0 HD1 PHE A 99 15.931 -13.543 6.089 1.00 24.42 H new ATOM 0 HD2 PHE A 99 12.502 -15.848 7.126 1.00 41.42 H new ATOM 0 HE1 PHE A 99 15.432 -11.977 7.914 1.00 11.23 H new ATOM 0 HE2 PHE A 99 11.997 -14.280 8.949 1.00 22.12 H new ATOM 0 HZ PHE A 99 13.460 -12.340 9.344 1.00 12.35 H new ATOM 1511 N ASP A 100 15.653 -16.797 8.190 1.00 25.33 N ATOM 1512 CA ASP A 100 15.365 -17.229 9.553 1.00 13.10 C ATOM 1513 C ASP A 100 13.877 -17.517 9.728 1.00 71.51 C ATOM 1514 O ASP A 100 13.057 -16.600 9.767 1.00 73.02 O ATOM 1515 CB ASP A 100 15.811 -16.162 10.554 1.00 20.10 C ATOM 1516 CG ASP A 100 15.732 -16.646 11.989 1.00 45.52 C ATOM 1517 OD1 ASP A 100 15.751 -17.876 12.202 1.00 42.32 O ATOM 1518 OD2 ASP A 100 15.651 -15.794 12.899 1.00 44.33 O ATOM 0 H ASP A 100 16.262 -15.981 8.126 1.00 25.33 H new ATOM 0 HA ASP A 100 15.920 -18.148 9.742 1.00 13.10 H new ATOM 0 HB2 ASP A 100 16.835 -15.863 10.330 1.00 20.10 H new ATOM 0 HB3 ASP A 100 15.188 -15.275 10.438 1.00 20.10 H new ATOM 1523 N TYR A 101 13.536 -18.797 9.832 1.00 61.15 N ATOM 1524 CA TYR A 101 12.147 -19.207 9.999 1.00 52.15 C ATOM 1525 C TYR A 101 11.549 -18.602 11.265 1.00 12.01 C ATOM 1526 O TYR A 101 12.191 -17.805 11.950 1.00 23.01 O ATOM 1527 CB TYR A 101 12.046 -20.732 10.052 1.00 71.24 C ATOM 1528 CG TYR A 101 13.099 -21.379 10.923 1.00 11.31 C ATOM 1529 CD1 TYR A 101 13.324 -20.934 12.220 1.00 42.30 C ATOM 1530 CD2 TYR A 101 13.869 -22.434 10.450 1.00 40.45 C ATOM 1531 CE1 TYR A 101 14.286 -21.521 13.020 1.00 54.33 C ATOM 1532 CE2 TYR A 101 14.832 -23.028 11.243 1.00 55.44 C ATOM 1533 CZ TYR A 101 15.036 -22.568 12.527 1.00 43.43 C ATOM 1534 OH TYR A 101 15.995 -23.156 13.319 1.00 1.34 O ATOM 0 H TYR A 101 14.203 -19.568 9.804 1.00 61.15 H new ATOM 0 HA TYR A 101 11.582 -18.842 9.142 1.00 52.15 H new ATOM 0 HB2 TYR A 101 11.059 -21.010 10.423 1.00 71.24 H new ATOM 0 HB3 TYR A 101 12.130 -21.129 9.040 1.00 71.24 H new ATOM 0 HD1 TYR A 101 12.737 -20.115 12.610 1.00 42.30 H new ATOM 0 HD2 TYR A 101 13.712 -22.796 9.445 1.00 40.45 H new ATOM 0 HE1 TYR A 101 14.449 -21.162 14.025 1.00 54.33 H new ATOM 0 HE2 TYR A 101 15.421 -23.848 10.860 1.00 55.44 H new ATOM 0 HH TYR A 101 16.852 -22.698 13.190 1.00 1.34 H new ATOM 1544 N LEU A 102 10.315 -18.987 11.571 1.00 53.12 N ATOM 1545 CA LEU A 102 9.628 -18.484 12.756 1.00 71.34 C ATOM 1546 C LEU A 102 8.809 -19.587 13.419 1.00 2.03 C ATOM 1547 O LEU A 102 7.826 -20.082 12.867 1.00 1.24 O ATOM 1548 CB LEU A 102 8.718 -17.312 12.383 1.00 24.02 C ATOM 1549 CG LEU A 102 7.507 -17.088 13.289 1.00 20.20 C ATOM 1550 CD1 LEU A 102 7.932 -16.445 14.600 1.00 63.30 C ATOM 1551 CD2 LEU A 102 6.466 -16.230 12.585 1.00 20.11 C ATOM 0 H LEU A 102 9.769 -19.646 11.015 1.00 53.12 H new ATOM 0 HA LEU A 102 10.382 -18.140 13.464 1.00 71.34 H new ATOM 0 HB2 LEU A 102 9.316 -16.401 12.378 1.00 24.02 H new ATOM 0 HB3 LEU A 102 8.361 -17.465 11.364 1.00 24.02 H new ATOM 0 HG LEU A 102 7.060 -18.057 13.512 1.00 20.20 H new ATOM 0 HD11 LEU A 102 7.057 -16.293 15.232 1.00 63.30 H new ATOM 0 HD12 LEU A 102 8.640 -17.096 15.112 1.00 63.30 H new ATOM 0 HD13 LEU A 102 8.404 -15.484 14.398 1.00 63.30 H new ATOM 0 HD21 LEU A 102 5.611 -16.081 13.245 1.00 20.11 H new ATOM 0 HD22 LEU A 102 6.902 -15.264 12.332 1.00 20.11 H new ATOM 0 HD23 LEU A 102 6.138 -16.730 11.674 1.00 20.11 H new ATOM 1563 N PRO A 103 9.221 -19.981 14.633 1.00 1.15 N ATOM 1564 CA PRO A 103 8.538 -21.027 15.400 1.00 22.21 C ATOM 1565 C PRO A 103 7.170 -20.579 15.902 1.00 10.40 C ATOM 1566 O PRO A 103 6.969 -19.408 16.226 1.00 50.10 O ATOM 1567 CB PRO A 103 9.484 -21.279 16.577 1.00 14.55 C ATOM 1568 CG PRO A 103 10.239 -20.004 16.736 1.00 73.13 C ATOM 1569 CD PRO A 103 10.385 -19.435 15.352 1.00 51.24 C ATOM 0 HA PRO A 103 8.342 -21.913 14.796 1.00 22.21 H new ATOM 0 HB2 PRO A 103 8.931 -21.527 17.483 1.00 14.55 H new ATOM 0 HB3 PRO A 103 10.155 -22.114 16.374 1.00 14.55 H new ATOM 0 HG2 PRO A 103 9.705 -19.313 17.388 1.00 73.13 H new ATOM 0 HG3 PRO A 103 11.214 -20.182 17.190 1.00 73.13 H new ATOM 0 HD2 PRO A 103 10.375 -18.345 15.363 1.00 51.24 H new ATOM 0 HD3 PRO A 103 11.323 -19.741 14.889 1.00 51.24 H new ATOM 1577 N LYS A 104 6.231 -21.517 15.965 1.00 41.24 N ATOM 1578 CA LYS A 104 4.881 -21.219 16.429 1.00 63.41 C ATOM 1579 C LYS A 104 4.702 -21.638 17.885 1.00 60.24 C ATOM 1580 O LYS A 104 5.274 -22.626 18.346 1.00 12.14 O ATOM 1581 CB LYS A 104 3.850 -21.932 15.551 1.00 15.44 C ATOM 1582 CG LYS A 104 4.181 -23.390 15.284 1.00 42.51 C ATOM 1583 CD LYS A 104 2.985 -24.290 15.544 1.00 64.30 C ATOM 1584 CE LYS A 104 2.810 -25.317 14.436 1.00 71.40 C ATOM 1585 NZ LYS A 104 3.590 -26.558 14.701 1.00 51.10 N ATOM 0 H LYS A 104 6.380 -22.491 15.700 1.00 41.24 H new ATOM 0 HA LYS A 104 4.727 -20.142 16.358 1.00 63.41 H new ATOM 0 HB2 LYS A 104 2.873 -21.872 16.031 1.00 15.44 H new ATOM 0 HB3 LYS A 104 3.770 -21.406 14.599 1.00 15.44 H new ATOM 0 HG2 LYS A 104 4.507 -23.507 14.251 1.00 42.51 H new ATOM 0 HG3 LYS A 104 5.013 -23.697 15.918 1.00 42.51 H new ATOM 0 HD2 LYS A 104 3.113 -24.801 16.498 1.00 64.30 H new ATOM 0 HD3 LYS A 104 2.083 -23.684 15.626 1.00 64.30 H new ATOM 0 HE2 LYS A 104 1.754 -25.567 14.336 1.00 71.40 H new ATOM 0 HE3 LYS A 104 3.127 -24.885 13.487 1.00 71.40 H new ATOM 0 HZ1 LYS A 104 3.756 -27.062 13.806 1.00 51.10 H new ATOM 0 HZ2 LYS A 104 4.503 -26.309 15.132 1.00 51.10 H new ATOM 0 HZ3 LYS A 104 3.057 -27.171 15.350 1.00 51.10 H new ATOM 1599 N PRO A 105 3.888 -20.872 18.626 1.00 43.31 N ATOM 1600 CA PRO A 105 3.203 -19.693 18.087 1.00 34.32 C ATOM 1601 C PRO A 105 4.165 -18.550 17.785 1.00 24.03 C ATOM 1602 O PRO A 105 5.357 -18.632 18.086 1.00 75.41 O ATOM 1603 CB PRO A 105 2.240 -19.299 19.210 1.00 74.22 C ATOM 1604 CG PRO A 105 2.866 -19.833 20.451 1.00 23.24 C ATOM 1605 CD PRO A 105 3.575 -21.096 20.047 1.00 23.21 C ATOM 0 HA PRO A 105 2.710 -19.906 17.139 1.00 34.32 H new ATOM 0 HB2 PRO A 105 2.115 -18.217 19.263 1.00 74.22 H new ATOM 0 HB3 PRO A 105 1.250 -19.726 19.051 1.00 74.22 H new ATOM 0 HG2 PRO A 105 3.564 -19.113 20.877 1.00 23.24 H new ATOM 0 HG3 PRO A 105 2.113 -20.035 21.212 1.00 23.24 H new ATOM 0 HD2 PRO A 105 4.478 -21.256 20.637 1.00 23.21 H new ATOM 0 HD3 PRO A 105 2.943 -21.973 20.186 1.00 23.21 H new ATOM 1613 N PHE A 106 3.642 -17.484 17.190 1.00 41.52 N ATOM 1614 CA PHE A 106 4.456 -16.323 16.847 1.00 71.11 C ATOM 1615 C PHE A 106 3.714 -15.027 17.159 1.00 54.13 C ATOM 1616 O PHE A 106 2.493 -14.948 17.017 1.00 21.54 O ATOM 1617 CB PHE A 106 4.838 -16.361 15.366 1.00 62.52 C ATOM 1618 CG PHE A 106 3.654 -16.397 14.442 1.00 65.21 C ATOM 1619 CD1 PHE A 106 2.925 -15.248 14.185 1.00 51.43 C ATOM 1620 CD2 PHE A 106 3.272 -17.580 13.830 1.00 12.02 C ATOM 1621 CE1 PHE A 106 1.835 -15.278 13.336 1.00 72.14 C ATOM 1622 CE2 PHE A 106 2.183 -17.616 12.980 1.00 73.42 C ATOM 1623 CZ PHE A 106 1.464 -16.464 12.731 1.00 0.54 C ATOM 0 H PHE A 106 2.658 -17.399 16.935 1.00 41.52 H new ATOM 0 HA PHE A 106 5.363 -16.356 17.450 1.00 71.11 H new ATOM 0 HB2 PHE A 106 5.444 -15.486 15.133 1.00 62.52 H new ATOM 0 HB3 PHE A 106 5.459 -17.237 15.182 1.00 62.52 H new ATOM 0 HD1 PHE A 106 3.212 -14.318 14.653 1.00 51.43 H new ATOM 0 HD2 PHE A 106 3.832 -18.484 14.019 1.00 12.02 H new ATOM 0 HE1 PHE A 106 1.273 -14.375 13.145 1.00 72.14 H new ATOM 0 HE2 PHE A 106 1.894 -18.545 12.511 1.00 73.42 H new ATOM 0 HZ PHE A 106 0.614 -16.490 12.065 1.00 0.54 H new ATOM 1633 N ASP A 107 4.459 -14.013 17.584 1.00 42.02 N ATOM 1634 CA ASP A 107 3.873 -12.719 17.916 1.00 63.53 C ATOM 1635 C ASP A 107 3.642 -11.889 16.657 1.00 1.33 C ATOM 1636 O ASP A 107 4.591 -11.420 16.028 1.00 23.40 O ATOM 1637 CB ASP A 107 4.780 -11.959 18.885 1.00 55.43 C ATOM 1638 CG ASP A 107 4.871 -12.631 20.240 1.00 3.25 C ATOM 1639 OD1 ASP A 107 4.007 -13.481 20.540 1.00 24.03 O ATOM 1640 OD2 ASP A 107 5.806 -12.306 21.002 1.00 24.01 O ATOM 0 H ASP A 107 5.470 -14.062 17.707 1.00 42.02 H new ATOM 0 HA ASP A 107 2.910 -12.895 18.395 1.00 63.53 H new ATOM 0 HB2 ASP A 107 5.778 -11.877 18.455 1.00 55.43 H new ATOM 0 HB3 ASP A 107 4.403 -10.944 19.011 1.00 55.43 H new ATOM 1645 N ILE A 108 2.376 -11.711 16.296 1.00 32.20 N ATOM 1646 CA ILE A 108 2.021 -10.937 15.113 1.00 32.30 C ATOM 1647 C ILE A 108 2.808 -9.633 15.053 1.00 40.31 C ATOM 1648 O ILE A 108 3.162 -9.158 13.973 1.00 33.32 O ATOM 1649 CB ILE A 108 0.515 -10.617 15.081 1.00 13.21 C ATOM 1650 CG1 ILE A 108 -0.293 -11.885 14.797 1.00 42.13 C ATOM 1651 CG2 ILE A 108 0.222 -9.551 14.036 1.00 1.51 C ATOM 1652 CD1 ILE A 108 -1.687 -11.857 15.382 1.00 33.32 C ATOM 0 H ILE A 108 1.579 -12.092 16.806 1.00 32.20 H new ATOM 0 HA ILE A 108 2.272 -11.550 14.247 1.00 32.30 H new ATOM 0 HB ILE A 108 0.220 -10.232 16.057 1.00 13.21 H new ATOM 0 HG12 ILE A 108 -0.363 -12.027 13.719 1.00 42.13 H new ATOM 0 HG13 ILE A 108 0.243 -12.745 15.198 1.00 42.13 H new ATOM 0 HG21 ILE A 108 -0.846 -9.336 14.025 1.00 1.51 H new ATOM 0 HG22 ILE A 108 0.773 -8.642 14.279 1.00 1.51 H new ATOM 0 HG23 ILE A 108 0.529 -9.910 13.054 1.00 1.51 H new ATOM 0 HD11 ILE A 108 -2.201 -12.787 15.141 1.00 33.32 H new ATOM 0 HD12 ILE A 108 -1.625 -11.746 16.465 1.00 33.32 H new ATOM 0 HD13 ILE A 108 -2.241 -11.017 14.962 1.00 33.32 H new ATOM 1664 N ASP A 109 3.081 -9.059 16.219 1.00 13.53 N ATOM 1665 CA ASP A 109 3.829 -7.810 16.300 1.00 3.44 C ATOM 1666 C ASP A 109 5.216 -7.967 15.685 1.00 4.40 C ATOM 1667 O ASP A 109 5.671 -7.109 14.929 1.00 15.40 O ATOM 1668 CB ASP A 109 3.952 -7.357 17.756 1.00 32.22 C ATOM 1669 CG ASP A 109 2.719 -6.618 18.239 1.00 61.15 C ATOM 1670 OD1 ASP A 109 2.307 -5.650 17.566 1.00 13.53 O ATOM 1671 OD2 ASP A 109 2.166 -7.009 19.288 1.00 43.23 O ATOM 0 H ASP A 109 2.795 -9.439 17.122 1.00 13.53 H new ATOM 0 HA ASP A 109 3.284 -7.052 15.737 1.00 3.44 H new ATOM 0 HB2 ASP A 109 4.123 -8.227 18.391 1.00 32.22 H new ATOM 0 HB3 ASP A 109 4.823 -6.711 17.860 1.00 32.22 H new ATOM 1676 N GLU A 110 5.884 -9.068 16.016 1.00 52.23 N ATOM 1677 CA GLU A 110 7.220 -9.335 15.497 1.00 71.25 C ATOM 1678 C GLU A 110 7.148 -9.974 14.113 1.00 41.15 C ATOM 1679 O GLU A 110 8.057 -9.819 13.298 1.00 41.53 O ATOM 1680 CB GLU A 110 7.989 -10.249 16.453 1.00 63.03 C ATOM 1681 CG GLU A 110 9.396 -10.577 15.982 1.00 42.35 C ATOM 1682 CD GLU A 110 10.205 -11.317 17.029 1.00 11.44 C ATOM 1683 OE1 GLU A 110 10.002 -12.539 17.182 1.00 20.11 O ATOM 1684 OE2 GLU A 110 11.041 -10.672 17.697 1.00 62.14 O ATOM 0 H GLU A 110 5.522 -9.789 16.641 1.00 52.23 H new ATOM 0 HA GLU A 110 7.746 -8.384 15.413 1.00 71.25 H new ATOM 0 HB2 GLU A 110 8.044 -9.773 17.432 1.00 63.03 H new ATOM 0 HB3 GLU A 110 7.432 -11.177 16.581 1.00 63.03 H new ATOM 0 HG2 GLU A 110 9.340 -11.182 15.077 1.00 42.35 H new ATOM 0 HG3 GLU A 110 9.911 -9.653 15.717 1.00 42.35 H new ATOM 1691 N ALA A 111 6.061 -10.693 13.855 1.00 32.41 N ATOM 1692 CA ALA A 111 5.869 -11.355 12.570 1.00 12.44 C ATOM 1693 C ALA A 111 5.633 -10.337 11.459 1.00 34.32 C ATOM 1694 O ALA A 111 6.283 -10.381 10.415 1.00 73.52 O ATOM 1695 CB ALA A 111 4.706 -12.333 12.649 1.00 41.11 C ATOM 0 H ALA A 111 5.299 -10.832 14.519 1.00 32.41 H new ATOM 0 HA ALA A 111 6.778 -11.908 12.334 1.00 12.44 H new ATOM 0 HB1 ALA A 111 4.574 -12.820 11.683 1.00 41.11 H new ATOM 0 HB2 ALA A 111 4.915 -13.086 13.409 1.00 41.11 H new ATOM 0 HB3 ALA A 111 3.795 -11.795 12.912 1.00 41.11 H new ATOM 1701 N VAL A 112 4.697 -9.421 11.691 1.00 64.43 N ATOM 1702 CA VAL A 112 4.376 -8.392 10.709 1.00 34.42 C ATOM 1703 C VAL A 112 5.635 -7.683 10.224 1.00 14.42 C ATOM 1704 O VAL A 112 5.748 -7.331 9.050 1.00 23.53 O ATOM 1705 CB VAL A 112 3.402 -7.349 11.289 1.00 40.14 C ATOM 1706 CG1 VAL A 112 3.381 -6.099 10.422 1.00 3.23 C ATOM 1707 CG2 VAL A 112 2.006 -7.939 11.421 1.00 2.02 C ATOM 0 H VAL A 112 4.149 -9.371 12.550 1.00 64.43 H new ATOM 0 HA VAL A 112 3.900 -8.894 9.867 1.00 34.42 H new ATOM 0 HB VAL A 112 3.748 -7.068 12.284 1.00 40.14 H new ATOM 0 HG11 VAL A 112 2.688 -5.373 10.847 1.00 3.23 H new ATOM 0 HG12 VAL A 112 4.381 -5.666 10.383 1.00 3.23 H new ATOM 0 HG13 VAL A 112 3.060 -6.361 9.414 1.00 3.23 H new ATOM 0 HG21 VAL A 112 1.331 -7.188 11.832 1.00 2.02 H new ATOM 0 HG22 VAL A 112 1.648 -8.250 10.440 1.00 2.02 H new ATOM 0 HG23 VAL A 112 2.037 -8.802 12.086 1.00 2.02 H new ATOM 1717 N ALA A 113 6.579 -7.475 11.136 1.00 14.23 N ATOM 1718 CA ALA A 113 7.831 -6.809 10.801 1.00 23.11 C ATOM 1719 C ALA A 113 8.843 -7.798 10.232 1.00 4.25 C ATOM 1720 O ALA A 113 9.753 -7.416 9.495 1.00 40.21 O ATOM 1721 CB ALA A 113 8.403 -6.112 12.027 1.00 52.01 C ATOM 0 H ALA A 113 6.500 -7.758 12.113 1.00 14.23 H new ATOM 0 HA ALA A 113 7.623 -6.061 10.036 1.00 23.11 H new ATOM 0 HB1 ALA A 113 9.338 -5.619 11.762 1.00 52.01 H new ATOM 0 HB2 ALA A 113 7.691 -5.370 12.389 1.00 52.01 H new ATOM 0 HB3 ALA A 113 8.590 -6.847 12.810 1.00 52.01 H new ATOM 1727 N LEU A 114 8.681 -9.070 10.580 1.00 55.50 N ATOM 1728 CA LEU A 114 9.581 -10.114 10.104 1.00 20.03 C ATOM 1729 C LEU A 114 9.447 -10.304 8.597 1.00 51.33 C ATOM 1730 O LEU A 114 10.441 -10.480 7.892 1.00 54.34 O ATOM 1731 CB LEU A 114 9.290 -11.432 10.824 1.00 71.35 C ATOM 1732 CG LEU A 114 10.144 -12.629 10.403 1.00 75.21 C ATOM 1733 CD1 LEU A 114 11.538 -12.527 11.001 1.00 31.03 C ATOM 1734 CD2 LEU A 114 9.477 -13.932 10.819 1.00 73.32 C ATOM 0 H LEU A 114 7.935 -9.403 11.190 1.00 55.50 H new ATOM 0 HA LEU A 114 10.603 -9.805 10.322 1.00 20.03 H new ATOM 0 HB2 LEU A 114 9.422 -11.275 11.894 1.00 71.35 H new ATOM 0 HB3 LEU A 114 8.242 -11.685 10.666 1.00 71.35 H new ATOM 0 HG LEU A 114 10.236 -12.621 9.317 1.00 75.21 H new ATOM 0 HD11 LEU A 114 12.131 -13.387 10.690 1.00 31.03 H new ATOM 0 HD12 LEU A 114 12.017 -11.612 10.653 1.00 31.03 H new ATOM 0 HD13 LEU A 114 11.467 -12.509 12.089 1.00 31.03 H new ATOM 0 HD21 LEU A 114 10.098 -14.773 10.512 1.00 73.32 H new ATOM 0 HD22 LEU A 114 9.354 -13.948 11.902 1.00 73.32 H new ATOM 0 HD23 LEU A 114 8.500 -14.009 10.342 1.00 73.32 H new ATOM 1746 N VAL A 115 8.211 -10.265 8.108 1.00 2.52 N ATOM 1747 CA VAL A 115 7.947 -10.429 6.684 1.00 52.42 C ATOM 1748 C VAL A 115 8.427 -9.217 5.893 1.00 73.15 C ATOM 1749 O VAL A 115 8.935 -9.352 4.780 1.00 21.22 O ATOM 1750 CB VAL A 115 6.446 -10.643 6.413 1.00 71.44 C ATOM 1751 CG1 VAL A 115 5.632 -9.485 6.968 1.00 53.31 C ATOM 1752 CG2 VAL A 115 6.194 -10.817 4.923 1.00 74.34 C ATOM 0 H VAL A 115 7.377 -10.121 8.678 1.00 2.52 H new ATOM 0 HA VAL A 115 8.497 -11.312 6.360 1.00 52.42 H new ATOM 0 HB VAL A 115 6.129 -11.554 6.921 1.00 71.44 H new ATOM 0 HG11 VAL A 115 4.574 -9.654 6.767 1.00 53.31 H new ATOM 0 HG12 VAL A 115 5.790 -9.412 8.044 1.00 53.31 H new ATOM 0 HG13 VAL A 115 5.948 -8.557 6.492 1.00 53.31 H new ATOM 0 HG21 VAL A 115 5.128 -10.967 4.749 1.00 74.34 H new ATOM 0 HG22 VAL A 115 6.526 -9.925 4.391 1.00 74.34 H new ATOM 0 HG23 VAL A 115 6.746 -11.683 4.559 1.00 74.34 H new ATOM 1762 N GLU A 116 8.262 -8.034 6.475 1.00 51.50 N ATOM 1763 CA GLU A 116 8.679 -6.797 5.823 1.00 35.52 C ATOM 1764 C GLU A 116 10.196 -6.750 5.667 1.00 53.52 C ATOM 1765 O GLU A 116 10.721 -6.013 4.832 1.00 63.11 O ATOM 1766 CB GLU A 116 8.199 -5.585 6.624 1.00 32.45 C ATOM 1767 CG GLU A 116 6.749 -5.216 6.360 1.00 31.11 C ATOM 1768 CD GLU A 116 6.174 -4.307 7.429 1.00 43.43 C ATOM 1769 OE1 GLU A 116 6.965 -3.703 8.183 1.00 24.33 O ATOM 1770 OE2 GLU A 116 4.933 -4.198 7.510 1.00 73.22 O ATOM 0 H GLU A 116 7.843 -7.905 7.396 1.00 51.50 H new ATOM 0 HA GLU A 116 8.228 -6.769 4.831 1.00 35.52 H new ATOM 0 HB2 GLU A 116 8.325 -5.790 7.687 1.00 32.45 H new ATOM 0 HB3 GLU A 116 8.832 -4.730 6.387 1.00 32.45 H new ATOM 0 HG2 GLU A 116 6.674 -4.723 5.391 1.00 31.11 H new ATOM 0 HG3 GLU A 116 6.151 -6.126 6.302 1.00 31.11 H new ATOM 1777 N ARG A 117 10.893 -7.539 6.476 1.00 23.45 N ATOM 1778 CA ARG A 117 12.350 -7.586 6.430 1.00 72.20 C ATOM 1779 C ARG A 117 12.831 -8.308 5.175 1.00 73.24 C ATOM 1780 O ARG A 117 13.833 -7.925 4.572 1.00 20.31 O ATOM 1781 CB ARG A 117 12.899 -8.285 7.675 1.00 32.21 C ATOM 1782 CG ARG A 117 14.339 -8.750 7.528 1.00 55.42 C ATOM 1783 CD ARG A 117 15.138 -8.496 8.796 1.00 22.22 C ATOM 1784 NE ARG A 117 16.561 -8.319 8.520 1.00 63.20 N ATOM 1785 CZ ARG A 117 17.409 -7.749 9.369 1.00 64.33 C ATOM 1786 NH1 ARG A 117 16.980 -7.304 10.541 1.00 10.04 N ATOM 1787 NH2 ARG A 117 18.690 -7.624 9.045 1.00 22.43 N ATOM 0 H ARG A 117 10.473 -8.155 7.172 1.00 23.45 H new ATOM 0 HA ARG A 117 12.721 -6.561 6.404 1.00 72.20 H new ATOM 0 HB2 ARG A 117 12.831 -7.604 8.523 1.00 32.21 H new ATOM 0 HB3 ARG A 117 12.270 -9.145 7.905 1.00 32.21 H new ATOM 0 HG2 ARG A 117 14.357 -9.814 7.292 1.00 55.42 H new ATOM 0 HG3 ARG A 117 14.807 -8.231 6.692 1.00 55.42 H new ATOM 0 HD2 ARG A 117 14.752 -7.607 9.296 1.00 22.22 H new ATOM 0 HD3 ARG A 117 15.003 -9.332 9.483 1.00 22.22 H new ATOM 0 HE ARG A 117 16.924 -8.651 7.626 1.00 63.20 H new ATOM 0 HH11 ARG A 117 15.996 -7.399 10.793 1.00 10.04 H new ATOM 0 HH12 ARG A 117 17.633 -6.867 11.191 1.00 10.04 H new ATOM 0 HH21 ARG A 117 19.024 -7.966 8.144 1.00 22.43 H new ATOM 0 HH22 ARG A 117 19.341 -7.186 9.697 1.00 22.43 H new ATOM 1801 N ALA A 118 12.109 -9.355 4.787 1.00 0.30 N ATOM 1802 CA ALA A 118 12.461 -10.129 3.603 1.00 30.03 C ATOM 1803 C ALA A 118 12.163 -9.348 2.328 1.00 71.11 C ATOM 1804 O ALA A 118 12.856 -9.498 1.321 1.00 32.11 O ATOM 1805 CB ALA A 118 11.715 -11.455 3.599 1.00 30.11 C ATOM 0 H ALA A 118 11.277 -9.686 5.276 1.00 0.30 H new ATOM 0 HA ALA A 118 13.532 -10.327 3.634 1.00 30.03 H new ATOM 0 HB1 ALA A 118 11.987 -12.023 2.709 1.00 30.11 H new ATOM 0 HB2 ALA A 118 11.981 -12.025 4.489 1.00 30.11 H new ATOM 0 HB3 ALA A 118 10.641 -11.268 3.596 1.00 30.11 H new ATOM 1811 N ILE A 119 11.128 -8.516 2.377 1.00 4.24 N ATOM 1812 CA ILE A 119 10.740 -7.712 1.226 1.00 52.44 C ATOM 1813 C ILE A 119 11.560 -6.429 1.149 1.00 44.42 C ATOM 1814 O ILE A 119 12.148 -6.116 0.113 1.00 33.20 O ATOM 1815 CB ILE A 119 9.244 -7.349 1.271 1.00 13.33 C ATOM 1816 CG1 ILE A 119 8.387 -8.611 1.161 1.00 33.44 C ATOM 1817 CG2 ILE A 119 8.902 -6.371 0.157 1.00 75.11 C ATOM 1818 CD1 ILE A 119 7.013 -8.464 1.776 1.00 35.54 C ATOM 0 H ILE A 119 10.543 -8.382 3.202 1.00 4.24 H new ATOM 0 HA ILE A 119 10.933 -8.317 0.340 1.00 52.44 H new ATOM 0 HB ILE A 119 9.030 -6.870 2.226 1.00 13.33 H new ATOM 0 HG12 ILE A 119 8.279 -8.876 0.109 1.00 33.44 H new ATOM 0 HG13 ILE A 119 8.907 -9.437 1.646 1.00 33.44 H new ATOM 0 HG21 ILE A 119 7.841 -6.124 0.202 1.00 75.11 H new ATOM 0 HG22 ILE A 119 9.491 -5.462 0.277 1.00 75.11 H new ATOM 0 HG23 ILE A 119 9.128 -6.825 -0.808 1.00 75.11 H new ATOM 0 HD11 ILE A 119 6.461 -9.397 1.661 1.00 35.54 H new ATOM 0 HD12 ILE A 119 7.112 -8.229 2.836 1.00 35.54 H new ATOM 0 HD13 ILE A 119 6.474 -7.660 1.275 1.00 35.54 H new ATOM 1830 N SER A 120 11.598 -5.690 2.253 1.00 51.40 N ATOM 1831 CA SER A 120 12.345 -4.439 2.311 1.00 44.13 C ATOM 1832 C SER A 120 13.805 -4.660 1.925 1.00 11.13 C ATOM 1833 O SER A 120 14.482 -3.743 1.459 1.00 11.24 O ATOM 1834 CB SER A 120 12.262 -3.835 3.714 1.00 45.11 C ATOM 1835 OG SER A 120 12.677 -2.480 3.711 1.00 10.21 O ATOM 0 H SER A 120 11.120 -5.936 3.120 1.00 51.40 H new ATOM 0 HA SER A 120 11.900 -3.745 1.598 1.00 44.13 H new ATOM 0 HB2 SER A 120 11.239 -3.904 4.083 1.00 45.11 H new ATOM 0 HB3 SER A 120 12.887 -4.409 4.398 1.00 45.11 H new ATOM 0 HG SER A 120 12.613 -2.116 4.619 1.00 10.21 H new ATOM 1841 N HIS A 121 14.284 -5.884 2.123 1.00 32.12 N ATOM 1842 CA HIS A 121 15.663 -6.228 1.796 1.00 2.52 C ATOM 1843 C HIS A 121 16.000 -5.820 0.365 1.00 73.52 C ATOM 1844 O HIS A 121 17.149 -5.510 0.051 1.00 1.32 O ATOM 1845 CB HIS A 121 15.895 -7.728 1.980 1.00 12.41 C ATOM 1846 CG HIS A 121 17.342 -8.110 2.015 1.00 24.31 C ATOM 1847 ND1 HIS A 121 17.996 -8.680 0.943 1.00 23.33 N ATOM 1848 CD2 HIS A 121 18.264 -8.000 3.001 1.00 74.13 C ATOM 1849 CE1 HIS A 121 19.257 -8.906 1.269 1.00 54.14 C ATOM 1850 NE2 HIS A 121 19.445 -8.502 2.512 1.00 52.42 N ATOM 0 H HIS A 121 13.737 -6.654 2.508 1.00 32.12 H new ATOM 0 HA HIS A 121 16.318 -5.682 2.475 1.00 2.52 H new ATOM 0 HB2 HIS A 121 15.420 -8.050 2.907 1.00 12.41 H new ATOM 0 HB3 HIS A 121 15.405 -8.265 1.168 1.00 12.41 H new ATOM 0 HD2 HIS A 121 18.101 -7.593 3.988 1.00 74.13 H new ATOM 0 HE1 HIS A 121 20.006 -9.346 0.628 1.00 54.14 H new ATOM 0 HE2 HIS A 121 20.325 -8.554 3.026 1.00 52.42 H new ATOM 1858 N TYR A 122 14.991 -5.825 -0.499 1.00 73.31 N ATOM 1859 CA TYR A 122 15.180 -5.460 -1.898 1.00 3.22 C ATOM 1860 C TYR A 122 14.674 -4.046 -2.165 1.00 14.22 C ATOM 1861 O TYR A 122 13.892 -3.820 -3.088 1.00 42.53 O ATOM 1862 CB TYR A 122 14.457 -6.453 -2.809 1.00 21.22 C ATOM 1863 CG TYR A 122 14.660 -7.898 -2.411 1.00 53.20 C ATOM 1864 CD1 TYR A 122 15.842 -8.562 -2.712 1.00 63.32 C ATOM 1865 CD2 TYR A 122 13.669 -8.599 -1.735 1.00 54.51 C ATOM 1866 CE1 TYR A 122 16.032 -9.882 -2.351 1.00 73.45 C ATOM 1867 CE2 TYR A 122 13.850 -9.918 -1.369 1.00 72.22 C ATOM 1868 CZ TYR A 122 15.033 -10.556 -1.680 1.00 12.23 C ATOM 1869 OH TYR A 122 15.217 -11.871 -1.318 1.00 53.32 O ATOM 0 H TYR A 122 14.033 -6.078 -0.255 1.00 73.31 H new ATOM 0 HA TYR A 122 16.248 -5.491 -2.114 1.00 3.22 H new ATOM 0 HB2 TYR A 122 13.390 -6.229 -2.802 1.00 21.22 H new ATOM 0 HB3 TYR A 122 14.805 -6.314 -3.833 1.00 21.22 H new ATOM 0 HD1 TYR A 122 16.626 -8.037 -3.237 1.00 63.32 H new ATOM 0 HD2 TYR A 122 12.741 -8.103 -1.492 1.00 54.51 H new ATOM 0 HE1 TYR A 122 16.958 -10.383 -2.593 1.00 73.45 H new ATOM 0 HE2 TYR A 122 13.070 -10.447 -0.842 1.00 72.22 H new ATOM 0 HH TYR A 122 15.041 -12.450 -2.089 1.00 53.32 H new