USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 565 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 42 TYR OH : rot 90:sc= 1.03 USER MOD Set 1.2: A 67 MET CE :methyl 157:sc= -1.13 (180deg=-4.41!) USER MOD Single : A 4 SER OG : rot 29:sc= 0.0791 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0854 F(o=-1.3!,f=-0.085) USER MOD Single : A 11 HIS : no HD1:sc= -0.0314 X(o=-0.031,f=-0.027) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0676 USER MOD Single : A 27 GLN :FLIP amide:sc= -0.04 F(o=-1.2!,f=-0.04) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 38 TYR OH : rot -165:sc= -1.08! USER MOD Single : A 54 LYS NZ :NH3+ -159:sc= 1.35 (180deg=1.07) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc= -0.471 F(o=-0.99,f=-0.47) USER MOD Single : A 63 SER OG : rot 180:sc= -0.113 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0072 USER MOD Single : A 69 THR OG1 : rot -160:sc= 0.602 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 38 N SER A 4 9.566 -5.000 0.365 1.00 71.02 N ATOM 39 CA SER A 4 9.496 -6.332 0.936 1.00 42.34 C ATOM 40 C SER A 4 10.420 -6.417 2.140 1.00 25.41 C ATOM 41 O SER A 4 11.634 -6.564 2.002 1.00 72.11 O ATOM 42 CB SER A 4 9.859 -7.383 -0.114 1.00 74.12 C ATOM 43 OG SER A 4 8.983 -7.299 -1.227 1.00 34.13 O ATOM 0 HA SER A 4 8.476 -6.532 1.265 1.00 42.34 H new ATOM 0 HB2 SER A 4 10.888 -7.237 -0.442 1.00 74.12 H new ATOM 0 HB3 SER A 4 9.803 -8.379 0.326 1.00 74.12 H new ATOM 0 HG SER A 4 8.669 -6.376 -1.327 1.00 34.13 H new ATOM 49 N GLU A 5 9.835 -6.287 3.318 1.00 73.11 N ATOM 50 CA GLU A 5 10.595 -6.259 4.554 1.00 2.22 C ATOM 51 C GLU A 5 10.204 -7.429 5.438 1.00 63.11 C ATOM 52 O GLU A 5 9.162 -7.403 6.095 1.00 33.12 O ATOM 53 CB GLU A 5 10.352 -4.943 5.289 1.00 74.03 C ATOM 54 CG GLU A 5 10.802 -3.722 4.506 1.00 3.23 C ATOM 55 CD GLU A 5 10.168 -2.443 5.005 1.00 61.35 C ATOM 56 OE1 GLU A 5 10.794 -1.732 5.821 1.00 21.51 O ATOM 57 OE2 GLU A 5 9.037 -2.137 4.570 1.00 22.25 O1- ATOM 0 H GLU A 5 8.827 -6.198 3.444 1.00 73.11 H new ATOM 0 HA GLU A 5 11.655 -6.340 4.315 1.00 2.22 H new ATOM 0 HB2 GLU A 5 9.289 -4.851 5.512 1.00 74.03 H new ATOM 0 HB3 GLU A 5 10.877 -4.967 6.244 1.00 74.03 H new ATOM 0 HG2 GLU A 5 11.887 -3.634 4.570 1.00 3.23 H new ATOM 0 HG3 GLU A 5 10.554 -3.859 3.453 1.00 3.23 H new ATOM 64 N GLY A 6 11.026 -8.461 5.422 1.00 13.15 N ATOM 65 CA GLY A 6 10.777 -9.624 6.240 1.00 42.42 C ATOM 66 C GLY A 6 12.032 -10.443 6.429 1.00 52.24 C ATOM 67 O GLY A 6 12.866 -10.527 5.526 1.00 3.43 O ATOM 0 H GLY A 6 11.870 -8.514 4.851 1.00 13.15 H new ATOM 0 HA2 GLY A 6 10.394 -9.312 7.212 1.00 42.42 H new ATOM 0 HA3 GLY A 6 10.006 -10.239 5.776 1.00 42.42 H new ATOM 71 N CYS A 7 12.178 -11.042 7.594 1.00 10.20 N ATOM 72 CA CYS A 7 13.350 -11.845 7.890 1.00 70.11 C ATOM 73 C CYS A 7 13.198 -13.237 7.291 1.00 4.44 C ATOM 74 O CYS A 7 12.159 -13.874 7.440 1.00 72.14 O ATOM 75 CB CYS A 7 13.552 -11.938 9.400 1.00 4.33 C ATOM 76 SG CYS A 7 13.624 -10.325 10.245 1.00 21.12 S ATOM 0 H CYS A 7 11.499 -10.988 8.353 1.00 10.20 H new ATOM 0 HA CYS A 7 14.225 -11.369 7.447 1.00 70.11 H new ATOM 0 HB2 CYS A 7 12.739 -12.524 9.829 1.00 4.33 H new ATOM 0 HB3 CYS A 7 14.476 -12.481 9.599 1.00 4.33 H new ATOM 81 N GLN A 8 14.226 -13.699 6.603 1.00 15.12 N ATOM 82 CA GLN A 8 14.201 -15.018 5.991 1.00 64.14 C ATOM 83 C GLN A 8 14.505 -16.109 7.013 1.00 64.22 C ATOM 84 O GLN A 8 14.689 -15.833 8.201 1.00 1.10 O ATOM 85 CB GLN A 8 15.203 -15.112 4.842 1.00 50.41 C ATOM 86 CG GLN A 8 16.628 -14.746 5.227 1.00 43.35 C ATOM 87 CD GLN A 8 17.657 -15.225 4.214 1.00 51.10 C ATOM 88 OE1 GLN A 8 17.430 -16.394 3.626 1.00 41.23 O flip ATOM 89 NE2 GLN A 8 18.671 -14.562 3.984 1.00 23.50 N flip ATOM 0 H GLN A 8 15.091 -13.180 6.453 1.00 15.12 H new ATOM 0 HA GLN A 8 13.195 -15.168 5.600 1.00 64.14 H new ATOM 0 HB2 GLN A 8 15.194 -16.129 4.449 1.00 50.41 H new ATOM 0 HB3 GLN A 8 14.876 -14.456 4.035 1.00 50.41 H new ATOM 0 HG2 GLN A 8 16.704 -13.664 5.331 1.00 43.35 H new ATOM 0 HG3 GLN A 8 16.858 -15.177 6.202 1.00 43.35 H new ATOM 0 HE21 GLN A 8 18.813 -13.668 4.454 1.00 23.50 H new ATOM 0 HE22 GLN A 8 19.368 -14.908 3.324 1.00 23.50 H new ATOM 98 N ILE A 9 14.574 -17.341 6.529 1.00 54.54 N ATOM 99 CA ILE A 9 14.889 -18.483 7.369 1.00 64.42 C ATOM 100 C ILE A 9 16.403 -18.611 7.487 1.00 73.43 C ATOM 101 O ILE A 9 17.125 -18.459 6.502 1.00 71.43 O ATOM 102 CB ILE A 9 14.298 -19.787 6.785 1.00 54.42 C ATOM 103 CG1 ILE A 9 12.767 -19.710 6.750 1.00 1.03 C ATOM 104 CG2 ILE A 9 14.758 -21.003 7.582 1.00 60.45 C ATOM 105 CD1 ILE A 9 12.111 -20.937 6.154 1.00 23.41 C ATOM 0 H ILE A 9 14.414 -17.574 5.549 1.00 54.54 H new ATOM 0 HA ILE A 9 14.447 -18.325 8.353 1.00 64.42 H new ATOM 0 HB ILE A 9 14.664 -19.899 5.764 1.00 54.42 H new ATOM 0 HG12 ILE A 9 12.396 -19.567 7.765 1.00 1.03 H new ATOM 0 HG13 ILE A 9 12.469 -18.833 6.175 1.00 1.03 H new ATOM 0 HG21 ILE A 9 14.327 -21.906 7.149 1.00 60.45 H new ATOM 0 HG22 ILE A 9 15.846 -21.069 7.550 1.00 60.45 H new ATOM 0 HG23 ILE A 9 14.430 -20.905 8.617 1.00 60.45 H new ATOM 0 HD11 ILE A 9 11.028 -20.811 6.162 1.00 23.41 H new ATOM 0 HD12 ILE A 9 12.453 -21.070 5.128 1.00 23.41 H new ATOM 0 HD13 ILE A 9 12.379 -21.815 6.742 1.00 23.41 H new ATOM 117 N ILE A 10 16.873 -18.866 8.697 1.00 1.44 N ATOM 118 CA ILE A 10 18.293 -18.784 9.006 1.00 53.14 C ATOM 119 C ILE A 10 18.972 -20.143 8.890 1.00 15.30 C ATOM 120 O ILE A 10 18.351 -21.178 9.135 1.00 44.43 O ATOM 121 CB ILE A 10 18.496 -18.258 10.439 1.00 44.30 C ATOM 122 CG1 ILE A 10 17.563 -17.079 10.702 1.00 13.24 C ATOM 123 CG2 ILE A 10 19.946 -17.842 10.662 1.00 25.05 C ATOM 124 CD1 ILE A 10 17.508 -16.673 12.152 1.00 42.33 C ATOM 0 H ILE A 10 16.287 -19.134 9.488 1.00 1.44 H new ATOM 0 HA ILE A 10 18.741 -18.102 8.284 1.00 53.14 H new ATOM 0 HB ILE A 10 18.259 -19.061 11.137 1.00 44.30 H new ATOM 0 HG12 ILE A 10 17.889 -16.227 10.106 1.00 13.24 H new ATOM 0 HG13 ILE A 10 16.559 -17.338 10.366 1.00 13.24 H new ATOM 0 HG21 ILE A 10 20.066 -17.474 11.681 1.00 25.05 H new ATOM 0 HG22 ILE A 10 20.599 -18.701 10.507 1.00 25.05 H new ATOM 0 HG23 ILE A 10 20.211 -17.054 9.958 1.00 25.05 H new ATOM 0 HD11 ILE A 10 16.827 -15.830 12.268 1.00 42.33 H new ATOM 0 HD12 ILE A 10 17.153 -17.511 12.751 1.00 42.33 H new ATOM 0 HD13 ILE A 10 18.504 -16.383 12.487 1.00 42.33 H new ATOM 136 N HIS A 11 20.246 -20.129 8.504 1.00 11.24 N ATOM 137 CA HIS A 11 21.067 -21.335 8.512 1.00 24.14 C ATOM 138 C HIS A 11 21.187 -21.873 9.939 1.00 73.03 C ATOM 139 O HIS A 11 21.385 -21.100 10.879 1.00 11.43 O ATOM 140 CB HIS A 11 22.467 -21.049 7.938 1.00 24.23 C ATOM 141 CG HIS A 11 23.309 -20.131 8.783 1.00 51.10 C ATOM 142 ND1 HIS A 11 24.368 -20.568 9.551 1.00 34.40 N ATOM 143 CD2 HIS A 11 23.238 -18.792 8.976 1.00 73.31 C ATOM 144 CE1 HIS A 11 24.908 -19.541 10.179 1.00 41.44 C ATOM 145 NE2 HIS A 11 24.242 -18.453 9.850 1.00 32.35 N ATOM 0 H HIS A 11 20.732 -19.293 8.181 1.00 11.24 H new ATOM 0 HA HIS A 11 20.585 -22.084 7.883 1.00 24.14 H new ATOM 0 HB2 HIS A 11 22.995 -21.994 7.813 1.00 24.23 H new ATOM 0 HB3 HIS A 11 22.357 -20.611 6.946 1.00 24.23 H new ATOM 0 HD2 HIS A 11 22.525 -18.117 8.526 1.00 73.31 H new ATOM 0 HE1 HIS A 11 25.753 -19.585 10.850 1.00 41.44 H new ATOM 0 HE2 HIS A 11 24.440 -17.512 10.189 1.00 32.35 H new ATOM 154 N PRO A 12 21.054 -23.192 10.116 1.00 62.10 N ATOM 155 CA PRO A 12 21.167 -23.825 11.431 1.00 31.33 C ATOM 156 C PRO A 12 22.585 -23.729 11.991 1.00 62.52 C ATOM 157 O PRO A 12 23.537 -24.206 11.373 1.00 11.24 O ATOM 158 CB PRO A 12 20.791 -25.285 11.160 1.00 52.40 C ATOM 159 CG PRO A 12 21.063 -25.486 9.710 1.00 51.45 C ATOM 160 CD PRO A 12 20.777 -24.168 9.050 1.00 4.22 C ATOM 0 HA PRO A 12 20.531 -23.344 12.175 1.00 31.33 H new ATOM 0 HB2 PRO A 12 21.383 -25.966 11.771 1.00 52.40 H new ATOM 0 HB3 PRO A 12 19.744 -25.474 11.396 1.00 52.40 H new ATOM 0 HG2 PRO A 12 22.097 -25.789 9.545 1.00 51.45 H new ATOM 0 HG3 PRO A 12 20.431 -26.273 9.300 1.00 51.45 H new ATOM 0 HD2 PRO A 12 21.414 -24.006 8.180 1.00 4.22 H new ATOM 0 HD3 PRO A 12 19.745 -24.106 8.705 1.00 4.22 H new ATOM 168 N PRO A 13 22.745 -23.083 13.155 1.00 72.42 N ATOM 169 CA PRO A 13 24.040 -22.953 13.824 1.00 11.03 C ATOM 170 C PRO A 13 24.429 -24.243 14.547 1.00 21.12 C ATOM 171 O PRO A 13 24.388 -25.328 13.964 1.00 10.42 O ATOM 172 CB PRO A 13 23.816 -21.810 14.834 1.00 63.12 C ATOM 173 CG PRO A 13 22.426 -21.307 14.597 1.00 12.24 C ATOM 174 CD PRO A 13 21.682 -22.415 13.911 1.00 11.22 C ATOM 0 HA PRO A 13 24.851 -22.753 13.123 1.00 11.03 H new ATOM 0 HB2 PRO A 13 23.931 -22.167 15.857 1.00 63.12 H new ATOM 0 HB3 PRO A 13 24.547 -21.015 14.690 1.00 63.12 H new ATOM 0 HG2 PRO A 13 21.944 -21.041 15.538 1.00 12.24 H new ATOM 0 HG3 PRO A 13 22.439 -20.408 13.980 1.00 12.24 H new ATOM 0 HD2 PRO A 13 21.206 -23.088 14.624 1.00 11.22 H new ATOM 0 HD3 PRO A 13 20.896 -22.034 13.258 1.00 11.22 H new ATOM 182 N TRP A 14 24.808 -24.122 15.816 1.00 13.53 N ATOM 183 CA TRP A 14 25.118 -25.287 16.636 1.00 55.11 C ATOM 184 C TRP A 14 23.857 -26.145 16.809 1.00 13.40 C ATOM 185 O TRP A 14 22.776 -25.752 16.365 1.00 31.14 O ATOM 186 CB TRP A 14 25.673 -24.836 17.996 1.00 53.25 C ATOM 187 CG TRP A 14 26.292 -25.940 18.800 1.00 30.52 C ATOM 188 CD1 TRP A 14 25.936 -26.343 20.056 1.00 34.14 C ATOM 189 CD2 TRP A 14 27.365 -26.798 18.390 1.00 32.13 C ATOM 190 NE1 TRP A 14 26.732 -27.388 20.458 1.00 11.25 N ATOM 191 CE2 TRP A 14 27.614 -27.688 19.451 1.00 72.24 C ATOM 192 CE3 TRP A 14 28.142 -26.898 17.231 1.00 52.43 C ATOM 193 CZ2 TRP A 14 28.604 -28.665 19.388 1.00 61.11 C ATOM 194 CZ3 TRP A 14 29.124 -27.870 17.169 1.00 24.33 C ATOM 195 CH2 TRP A 14 29.346 -28.741 18.242 1.00 71.42 C ATOM 0 H TRP A 14 24.908 -23.229 16.298 1.00 13.53 H new ATOM 0 HA TRP A 14 25.880 -25.891 16.143 1.00 55.11 H new ATOM 0 HB2 TRP A 14 26.419 -24.058 17.832 1.00 53.25 H new ATOM 0 HB3 TRP A 14 24.866 -24.387 18.575 1.00 53.25 H new ATOM 0 HD1 TRP A 14 25.145 -25.904 20.646 1.00 34.14 H new ATOM 0 HE1 TRP A 14 26.676 -27.863 21.359 1.00 11.25 H new ATOM 0 HE3 TRP A 14 27.978 -26.228 16.400 1.00 52.43 H new ATOM 0 HZ2 TRP A 14 28.779 -29.338 20.214 1.00 61.11 H new ATOM 0 HZ3 TRP A 14 29.729 -27.958 16.279 1.00 24.33 H new ATOM 0 HH2 TRP A 14 30.120 -29.490 18.163 1.00 71.42 H new ATOM 206 N GLU A 15 23.993 -27.306 17.445 1.00 44.34 N ATOM 207 CA GLU A 15 22.880 -28.242 17.594 1.00 22.34 C ATOM 208 C GLU A 15 21.798 -27.712 18.533 1.00 24.33 C ATOM 209 O GLU A 15 21.697 -28.117 19.693 1.00 3.10 O ATOM 210 CB GLU A 15 23.369 -29.610 18.073 1.00 35.12 C ATOM 211 CG GLU A 15 23.994 -30.458 16.976 1.00 53.31 C ATOM 212 CD GLU A 15 25.221 -29.825 16.357 1.00 41.30 C ATOM 213 OE1 GLU A 15 25.130 -29.336 15.208 1.00 63.35 O ATOM 214 OE2 GLU A 15 26.280 -29.821 17.018 1.00 74.13 O1- ATOM 0 H GLU A 15 24.866 -27.623 17.867 1.00 44.34 H new ATOM 0 HA GLU A 15 22.434 -28.353 16.606 1.00 22.34 H new ATOM 0 HB2 GLU A 15 24.100 -29.466 18.869 1.00 35.12 H new ATOM 0 HB3 GLU A 15 22.530 -30.154 18.506 1.00 35.12 H new ATOM 0 HG2 GLU A 15 24.264 -31.431 17.387 1.00 53.31 H new ATOM 0 HG3 GLU A 15 23.253 -30.636 16.197 1.00 53.31 H new ATOM 221 N GLY A 16 21.016 -26.789 18.017 1.00 71.54 N ATOM 222 CA GLY A 16 19.860 -26.290 18.712 1.00 11.25 C ATOM 223 C GLY A 16 18.751 -26.023 17.728 1.00 0.41 C ATOM 224 O GLY A 16 19.018 -25.810 16.543 1.00 33.22 O ATOM 0 H GLY A 16 21.168 -26.366 17.102 1.00 71.54 H new ATOM 0 HA2 GLY A 16 19.531 -27.014 19.457 1.00 11.25 H new ATOM 0 HA3 GLY A 16 20.113 -25.375 19.247 1.00 11.25 H new ATOM 228 N GLY A 17 17.518 -26.049 18.188 1.00 23.54 N ATOM 229 CA GLY A 17 16.414 -25.835 17.289 1.00 23.21 C ATOM 230 C GLY A 17 15.795 -24.474 17.469 1.00 4.21 C ATOM 231 O GLY A 17 16.307 -23.642 18.218 1.00 73.45 O ATOM 0 H GLY A 17 17.262 -26.213 19.161 1.00 23.54 H new ATOM 0 HA2 GLY A 17 16.758 -25.944 16.260 1.00 23.21 H new ATOM 0 HA3 GLY A 17 15.658 -26.602 17.455 1.00 23.21 H new ATOM 235 N ILE A 18 14.681 -24.248 16.800 1.00 13.11 N ATOM 236 CA ILE A 18 13.980 -22.986 16.904 1.00 4.12 C ATOM 237 C ILE A 18 12.507 -23.231 17.139 1.00 21.53 C ATOM 238 O ILE A 18 11.881 -24.050 16.465 1.00 64.33 O ATOM 239 CB ILE A 18 14.187 -22.105 15.652 1.00 60.43 C ATOM 240 CG1 ILE A 18 15.632 -21.610 15.614 1.00 33.34 C ATOM 241 CG2 ILE A 18 13.216 -20.932 15.642 1.00 50.32 C ATOM 242 CD1 ILE A 18 15.930 -20.653 14.473 1.00 70.34 C ATOM 0 H ILE A 18 14.242 -24.926 16.177 1.00 13.11 H new ATOM 0 HA ILE A 18 14.396 -22.444 17.753 1.00 4.12 H new ATOM 0 HB ILE A 18 13.988 -22.703 14.763 1.00 60.43 H new ATOM 0 HG12 ILE A 18 15.860 -21.115 16.558 1.00 33.34 H new ATOM 0 HG13 ILE A 18 16.297 -22.470 15.536 1.00 33.34 H new ATOM 0 HG21 ILE A 18 13.384 -20.328 14.750 1.00 50.32 H new ATOM 0 HG22 ILE A 18 12.193 -21.307 15.639 1.00 50.32 H new ATOM 0 HG23 ILE A 18 13.376 -20.320 16.530 1.00 50.32 H new ATOM 0 HD11 ILE A 18 16.976 -20.349 14.517 1.00 70.34 H new ATOM 0 HD12 ILE A 18 15.736 -21.149 13.522 1.00 70.34 H new ATOM 0 HD13 ILE A 18 15.292 -19.773 14.560 1.00 70.34 H new ATOM 254 N ARG A 19 11.970 -22.538 18.116 1.00 44.43 N ATOM 255 CA ARG A 19 10.580 -22.676 18.467 1.00 12.34 C ATOM 256 C ARG A 19 9.854 -21.386 18.155 1.00 54.31 C ATOM 257 O ARG A 19 10.231 -20.323 18.647 1.00 14.40 O ATOM 258 CB ARG A 19 10.466 -23.019 19.944 1.00 21.13 C ATOM 259 CG ARG A 19 9.491 -24.151 20.222 1.00 74.22 C ATOM 260 CD ARG A 19 9.905 -25.419 19.491 1.00 2.13 C ATOM 261 NE ARG A 19 8.909 -26.482 19.607 1.00 34.34 N ATOM 262 CZ ARG A 19 8.493 -27.219 18.577 1.00 15.24 C ATOM 263 NH1 ARG A 19 9.000 -27.009 17.367 1.00 45.21 N1+ ATOM 264 NH2 ARG A 19 7.576 -28.158 18.754 1.00 45.00 N ATOM 0 H ARG A 19 12.484 -21.866 18.686 1.00 44.43 H new ATOM 0 HA ARG A 19 10.124 -23.479 17.888 1.00 12.34 H new ATOM 0 HB2 ARG A 19 11.450 -23.294 20.323 1.00 21.13 H new ATOM 0 HB3 ARG A 19 10.149 -22.132 20.493 1.00 21.13 H new ATOM 0 HG2 ARG A 19 9.447 -24.343 21.294 1.00 74.22 H new ATOM 0 HG3 ARG A 19 8.489 -23.858 19.909 1.00 74.22 H new ATOM 0 HD2 ARG A 19 10.067 -25.191 18.438 1.00 2.13 H new ATOM 0 HD3 ARG A 19 10.856 -25.771 19.891 1.00 2.13 H new ATOM 0 HE ARG A 19 8.510 -26.670 20.527 1.00 34.34 H new ATOM 0 HH11 ARG A 19 9.705 -26.286 17.228 1.00 45.21 H new ATOM 0 HH12 ARG A 19 8.684 -27.571 16.577 1.00 45.21 H new ATOM 0 HH21 ARG A 19 7.185 -28.320 19.682 1.00 45.00 H new ATOM 0 HH22 ARG A 19 7.261 -28.719 17.962 1.00 45.00 H new ATOM 278 N TYR A 20 8.833 -21.472 17.322 1.00 74.35 N ATOM 279 CA TYR A 20 8.135 -20.285 16.873 1.00 40.55 C ATOM 280 C TYR A 20 7.007 -19.933 17.833 1.00 34.25 C ATOM 281 O TYR A 20 6.855 -20.556 18.887 1.00 72.21 O ATOM 282 CB TYR A 20 7.584 -20.505 15.461 1.00 12.44 C ATOM 283 CG TYR A 20 8.654 -20.816 14.435 1.00 42.23 C ATOM 284 CD1 TYR A 20 9.098 -22.119 14.238 1.00 24.23 C ATOM 285 CD2 TYR A 20 9.222 -19.808 13.665 1.00 1.23 C ATOM 286 CE1 TYR A 20 10.078 -22.406 13.306 1.00 54.01 C ATOM 287 CE2 TYR A 20 10.200 -20.088 12.731 1.00 52.11 C ATOM 288 CZ TYR A 20 10.624 -21.387 12.555 1.00 34.52 C ATOM 289 OH TYR A 20 11.602 -21.667 11.627 1.00 22.43 O ATOM 0 H TYR A 20 8.471 -22.348 16.945 1.00 74.35 H new ATOM 0 HA TYR A 20 8.839 -19.453 16.852 1.00 40.55 H new ATOM 0 HB2 TYR A 20 6.865 -21.324 15.484 1.00 12.44 H new ATOM 0 HB3 TYR A 20 7.041 -19.613 15.149 1.00 12.44 H new ATOM 0 HD1 TYR A 20 8.670 -22.920 14.823 1.00 24.23 H new ATOM 0 HD2 TYR A 20 8.893 -18.788 13.799 1.00 1.23 H new ATOM 0 HE1 TYR A 20 10.414 -23.423 13.167 1.00 54.01 H new ATOM 0 HE2 TYR A 20 10.631 -19.292 12.141 1.00 52.11 H new ATOM 0 HH TYR A 20 11.879 -20.838 11.183 1.00 22.43 H new ATOM 299 N ARG A 21 6.201 -18.956 17.454 1.00 4.04 N ATOM 300 CA ARG A 21 5.125 -18.494 18.309 1.00 43.13 C ATOM 301 C ARG A 21 3.856 -19.297 18.042 1.00 4.10 C ATOM 302 O ARG A 21 3.251 -19.842 18.963 1.00 52.41 O ATOM 303 CB ARG A 21 4.872 -16.999 18.090 1.00 74.30 C ATOM 304 CG ARG A 21 3.810 -16.423 19.012 1.00 52.33 C ATOM 305 CD ARG A 21 3.499 -14.976 18.677 1.00 1.31 C ATOM 306 NE ARG A 21 4.585 -14.064 19.033 1.00 72.30 N ATOM 307 CZ ARG A 21 4.785 -12.886 18.446 1.00 63.53 C ATOM 308 NH1 ARG A 21 4.068 -12.543 17.385 1.00 42.32 N1+ ATOM 309 NH2 ARG A 21 5.711 -12.056 18.907 1.00 24.04 N ATOM 0 H ARG A 21 6.272 -18.469 16.561 1.00 4.04 H new ATOM 0 HA ARG A 21 5.417 -18.644 19.348 1.00 43.13 H new ATOM 0 HB2 ARG A 21 5.805 -16.455 18.239 1.00 74.30 H new ATOM 0 HB3 ARG A 21 4.570 -16.837 17.055 1.00 74.30 H new ATOM 0 HG2 ARG A 21 2.900 -17.018 18.935 1.00 52.33 H new ATOM 0 HG3 ARG A 21 4.149 -16.492 20.046 1.00 52.33 H new ATOM 0 HD2 ARG A 21 3.295 -14.891 17.610 1.00 1.31 H new ATOM 0 HD3 ARG A 21 2.592 -14.674 19.200 1.00 1.31 H new ATOM 0 HE ARG A 21 5.226 -14.347 19.774 1.00 72.30 H new ATOM 0 HH11 ARG A 21 3.363 -13.182 17.018 1.00 42.32 H new ATOM 0 HH12 ARG A 21 4.222 -11.640 16.936 1.00 42.32 H new ATOM 0 HH21 ARG A 21 6.275 -12.319 19.716 1.00 24.04 H new ATOM 0 HH22 ARG A 21 5.860 -11.155 18.453 1.00 24.04 H new ATOM 323 N GLY A 22 3.471 -19.385 16.775 1.00 11.55 N ATOM 324 CA GLY A 22 2.258 -20.093 16.415 1.00 50.05 C ATOM 325 C GLY A 22 2.430 -20.962 15.185 1.00 71.12 C ATOM 326 O GLY A 22 1.449 -21.436 14.611 1.00 54.54 O ATOM 0 H GLY A 22 3.978 -18.978 15.989 1.00 11.55 H new ATOM 0 HA2 GLY A 22 1.943 -20.715 17.253 1.00 50.05 H new ATOM 0 HA3 GLY A 22 1.461 -19.372 16.236 1.00 50.05 H new ATOM 330 N LEU A 23 3.673 -21.176 14.774 1.00 51.01 N ATOM 331 CA LEU A 23 3.948 -21.991 13.599 1.00 52.44 C ATOM 332 C LEU A 23 4.121 -23.454 13.984 1.00 5.12 C ATOM 333 O LEU A 23 4.872 -23.786 14.903 1.00 0.51 O ATOM 334 CB LEU A 23 5.193 -21.487 12.859 1.00 44.13 C ATOM 335 CG LEU A 23 5.028 -20.144 12.142 1.00 45.22 C ATOM 336 CD1 LEU A 23 6.345 -19.703 11.525 1.00 34.31 C ATOM 337 CD2 LEU A 23 3.950 -20.242 11.077 1.00 3.33 C ATOM 0 H LEU A 23 4.502 -20.799 15.234 1.00 51.01 H new ATOM 0 HA LEU A 23 3.093 -21.907 12.929 1.00 52.44 H new ATOM 0 HB2 LEU A 23 6.011 -21.400 13.574 1.00 44.13 H new ATOM 0 HB3 LEU A 23 5.489 -22.238 12.126 1.00 44.13 H new ATOM 0 HG LEU A 23 4.725 -19.397 12.875 1.00 45.22 H new ATOM 0 HD11 LEU A 23 6.208 -18.747 11.020 1.00 34.31 H new ATOM 0 HD12 LEU A 23 7.096 -19.596 12.308 1.00 34.31 H new ATOM 0 HD13 LEU A 23 6.677 -20.450 10.804 1.00 34.31 H new ATOM 0 HD21 LEU A 23 3.845 -19.280 10.576 1.00 3.33 H new ATOM 0 HD22 LEU A 23 4.228 -21.002 10.347 1.00 3.33 H new ATOM 0 HD23 LEU A 23 3.003 -20.515 11.542 1.00 3.33 H new ATOM 349 N THR A 24 3.401 -24.316 13.288 1.00 45.31 N ATOM 350 CA THR A 24 3.482 -25.746 13.520 1.00 75.32 C ATOM 351 C THR A 24 4.327 -26.409 12.428 1.00 64.12 C ATOM 352 O THR A 24 4.856 -25.724 11.544 1.00 23.12 O ATOM 353 CB THR A 24 2.070 -26.378 13.572 1.00 73.21 C ATOM 354 OG1 THR A 24 2.144 -27.750 13.986 1.00 0.00 O ATOM 355 CG2 THR A 24 1.381 -26.286 12.218 1.00 12.52 C ATOM 0 H THR A 24 2.749 -24.047 12.552 1.00 45.31 H new ATOM 0 HA THR A 24 3.961 -25.912 14.485 1.00 75.32 H new ATOM 0 HB THR A 24 1.483 -25.819 14.301 1.00 73.21 H new ATOM 0 HG1 THR A 24 1.242 -28.132 14.015 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.391 -26.737 12.282 1.00 12.52 H new ATOM 0 HG22 THR A 24 1.285 -25.239 11.929 1.00 12.52 H new ATOM 0 HG23 THR A 24 1.973 -26.815 11.472 1.00 12.52 H new ATOM 363 N ARG A 25 4.456 -27.731 12.497 1.00 3.14 N ATOM 364 CA ARG A 25 5.285 -28.486 11.562 1.00 73.32 C ATOM 365 C ARG A 25 4.676 -28.490 10.158 1.00 50.00 C ATOM 366 O ARG A 25 3.677 -27.807 9.908 1.00 5.42 O ATOM 367 CB ARG A 25 5.454 -29.916 12.074 1.00 33.05 C ATOM 368 CG ARG A 25 6.183 -29.989 13.406 1.00 24.32 C ATOM 369 CD ARG A 25 6.019 -31.346 14.069 1.00 10.33 C ATOM 370 NE ARG A 25 6.622 -32.426 13.291 1.00 33.14 N ATOM 371 CZ ARG A 25 6.118 -33.657 13.215 1.00 2.41 C ATOM 372 NH1 ARG A 25 4.966 -33.941 13.810 1.00 13.30 N1+ ATOM 373 NH2 ARG A 25 6.758 -34.601 12.537 1.00 62.54 N ATOM 0 H ARG A 25 3.991 -28.307 13.199 1.00 3.14 H new ATOM 0 HA ARG A 25 6.261 -28.005 11.496 1.00 73.32 H new ATOM 0 HB2 ARG A 25 4.472 -30.377 12.178 1.00 33.05 H new ATOM 0 HB3 ARG A 25 6.003 -30.498 11.334 1.00 33.05 H new ATOM 0 HG2 ARG A 25 7.243 -29.787 13.251 1.00 24.32 H new ATOM 0 HG3 ARG A 25 5.804 -29.212 14.070 1.00 24.32 H new ATOM 0 HD2 ARG A 25 6.472 -31.320 15.060 1.00 10.33 H new ATOM 0 HD3 ARG A 25 4.958 -31.552 14.209 1.00 10.33 H new ATOM 0 HE ARG A 25 7.479 -32.226 12.776 1.00 33.14 H new ATOM 0 HH11 ARG A 25 4.466 -33.217 14.326 1.00 13.30 H new ATOM 0 HH12 ARG A 25 4.581 -34.884 13.752 1.00 13.30 H new ATOM 0 HH21 ARG A 25 7.640 -34.386 12.071 1.00 62.54 H new ATOM 0 HH22 ARG A 25 6.368 -35.542 12.482 1.00 62.54 H new ATOM 387 N ASP A 26 5.281 -29.274 9.256 1.00 11.55 N ATOM 388 CA ASP A 26 4.935 -29.280 7.821 1.00 13.41 C ATOM 389 C ASP A 26 5.377 -27.975 7.158 1.00 2.54 C ATOM 390 O ASP A 26 5.887 -27.966 6.039 1.00 54.04 O ATOM 391 CB ASP A 26 3.433 -29.507 7.590 1.00 51.21 C ATOM 392 CG ASP A 26 3.050 -29.424 6.120 1.00 14.41 C ATOM 393 OD1 ASP A 26 3.265 -30.415 5.388 1.00 15.50 O ATOM 394 OD2 ASP A 26 2.519 -28.374 5.693 1.00 15.44 O1- ATOM 0 H ASP A 26 6.027 -29.926 9.498 1.00 11.55 H new ATOM 0 HA ASP A 26 5.468 -30.114 7.365 1.00 13.41 H new ATOM 0 HB2 ASP A 26 3.153 -30.485 7.980 1.00 51.21 H new ATOM 0 HB3 ASP A 26 2.866 -28.765 8.152 1.00 51.21 H new ATOM 399 N GLN A 27 5.181 -26.883 7.873 1.00 2.23 N ATOM 400 CA GLN A 27 5.588 -25.566 7.429 1.00 4.51 C ATOM 401 C GLN A 27 7.038 -25.300 7.821 1.00 2.23 C ATOM 402 O GLN A 27 7.791 -26.233 8.087 1.00 21.25 O ATOM 403 CB GLN A 27 4.681 -24.517 8.068 1.00 41.02 C ATOM 404 CG GLN A 27 3.204 -24.727 7.775 1.00 12.33 C ATOM 405 CD GLN A 27 2.308 -23.792 8.563 1.00 33.35 C ATOM 406 OE1 GLN A 27 2.711 -23.467 9.786 1.00 70.15 O flip ATOM 407 NE2 GLN A 27 1.248 -23.386 8.087 1.00 42.30 N flip ATOM 0 H GLN A 27 4.730 -26.887 8.788 1.00 2.23 H new ATOM 0 HA GLN A 27 5.505 -25.513 6.343 1.00 4.51 H new ATOM 0 HB2 GLN A 27 4.833 -24.527 9.147 1.00 41.02 H new ATOM 0 HB3 GLN A 27 4.976 -23.530 7.713 1.00 41.02 H new ATOM 0 HG2 GLN A 27 3.026 -24.581 6.710 1.00 12.33 H new ATOM 0 HG3 GLN A 27 2.936 -25.758 8.005 1.00 12.33 H new ATOM 0 HE21 GLN A 27 0.975 -23.659 7.143 1.00 42.30 H new ATOM 0 HE22 GLN A 27 0.643 -22.776 8.637 1.00 42.30 H new ATOM 416 N VAL A 28 7.408 -24.013 7.827 1.00 40.51 N ATOM 417 CA VAL A 28 8.742 -23.524 8.231 1.00 21.23 C ATOM 418 C VAL A 28 9.889 -24.188 7.460 1.00 20.45 C ATOM 419 O VAL A 28 11.058 -24.001 7.789 1.00 35.23 O ATOM 420 CB VAL A 28 8.990 -23.630 9.766 1.00 75.00 C ATOM 421 CG1 VAL A 28 7.794 -23.099 10.542 1.00 3.34 C ATOM 422 CG2 VAL A 28 9.335 -25.046 10.212 1.00 12.44 C ATOM 0 H VAL A 28 6.778 -23.262 7.546 1.00 40.51 H new ATOM 0 HA VAL A 28 8.737 -22.467 7.966 1.00 21.23 H new ATOM 0 HB VAL A 28 9.860 -23.011 9.986 1.00 75.00 H new ATOM 0 HG11 VAL A 28 7.988 -23.182 11.611 1.00 3.34 H new ATOM 0 HG12 VAL A 28 7.628 -22.053 10.284 1.00 3.34 H new ATOM 0 HG13 VAL A 28 6.908 -23.681 10.288 1.00 3.34 H new ATOM 0 HG21 VAL A 28 9.497 -25.059 11.290 1.00 12.44 H new ATOM 0 HG22 VAL A 28 8.514 -25.717 9.961 1.00 12.44 H new ATOM 0 HG23 VAL A 28 10.242 -25.376 9.705 1.00 12.44 H new ATOM 432 N LYS A 29 9.555 -24.937 6.417 1.00 1.44 N ATOM 433 CA LYS A 29 10.565 -25.540 5.565 1.00 53.22 C ATOM 434 C LYS A 29 10.790 -24.676 4.331 1.00 71.12 C ATOM 435 O LYS A 29 11.827 -24.767 3.673 1.00 33.02 O ATOM 436 CB LYS A 29 10.155 -26.964 5.166 1.00 54.41 C ATOM 437 CG LYS A 29 8.859 -27.045 4.375 1.00 70.52 C ATOM 438 CD LYS A 29 8.488 -28.489 4.070 1.00 33.02 C ATOM 439 CE LYS A 29 7.219 -28.580 3.235 1.00 11.13 C ATOM 440 NZ LYS A 29 6.833 -29.989 2.966 1.00 21.55 N1+ ATOM 0 H LYS A 29 8.594 -25.140 6.143 1.00 1.44 H new ATOM 0 HA LYS A 29 11.501 -25.603 6.120 1.00 53.22 H new ATOM 0 HB2 LYS A 29 10.956 -27.408 4.575 1.00 54.41 H new ATOM 0 HB3 LYS A 29 10.054 -27.567 6.069 1.00 54.41 H new ATOM 0 HG2 LYS A 29 8.055 -26.572 4.940 1.00 70.52 H new ATOM 0 HG3 LYS A 29 8.964 -26.489 3.443 1.00 70.52 H new ATOM 0 HD2 LYS A 29 9.309 -28.971 3.539 1.00 33.02 H new ATOM 0 HD3 LYS A 29 8.349 -29.034 5.004 1.00 33.02 H new ATOM 0 HE2 LYS A 29 6.406 -28.074 3.754 1.00 11.13 H new ATOM 0 HE3 LYS A 29 7.368 -28.058 2.290 1.00 11.13 H new ATOM 0 HZ1 LYS A 29 5.964 -30.008 2.395 1.00 21.55 H new ATOM 0 HZ2 LYS A 29 7.598 -30.466 2.448 1.00 21.55 H new ATOM 0 HZ3 LYS A 29 6.666 -30.481 3.867 1.00 21.55 H new ATOM 454 N ALA A 30 9.810 -23.825 4.040 1.00 52.32 N ATOM 455 CA ALA A 30 9.889 -22.907 2.915 1.00 14.13 C ATOM 456 C ALA A 30 9.046 -21.665 3.183 1.00 61.32 C ATOM 457 O ALA A 30 7.832 -21.659 2.960 1.00 75.11 O ATOM 458 CB ALA A 30 9.445 -23.591 1.631 1.00 4.23 C ATOM 0 H ALA A 30 8.945 -23.755 4.576 1.00 52.32 H new ATOM 0 HA ALA A 30 10.928 -22.599 2.793 1.00 14.13 H new ATOM 0 HB1 ALA A 30 9.512 -22.887 0.802 1.00 4.23 H new ATOM 0 HB2 ALA A 30 10.090 -24.447 1.433 1.00 4.23 H new ATOM 0 HB3 ALA A 30 8.415 -23.930 1.737 1.00 4.23 H new ATOM 464 N ILE A 31 9.689 -20.633 3.708 1.00 25.12 N ATOM 465 CA ILE A 31 9.032 -19.366 3.984 1.00 40.14 C ATOM 466 C ILE A 31 9.879 -18.234 3.425 1.00 74.23 C ATOM 467 O ILE A 31 11.103 -18.245 3.566 1.00 4.24 O ATOM 468 CB ILE A 31 8.810 -19.145 5.501 1.00 34.44 C ATOM 469 CG1 ILE A 31 7.964 -20.275 6.094 1.00 11.21 C ATOM 470 CG2 ILE A 31 8.141 -17.798 5.754 1.00 41.23 C ATOM 471 CD1 ILE A 31 7.729 -20.142 7.585 1.00 3.32 C ATOM 0 H ILE A 31 10.679 -20.651 3.954 1.00 25.12 H new ATOM 0 HA ILE A 31 8.052 -19.384 3.507 1.00 40.14 H new ATOM 0 HB ILE A 31 9.784 -19.148 5.990 1.00 34.44 H new ATOM 0 HG12 ILE A 31 7.001 -20.302 5.584 1.00 11.21 H new ATOM 0 HG13 ILE A 31 8.456 -21.227 5.896 1.00 11.21 H new ATOM 0 HG21 ILE A 31 7.993 -17.661 6.825 1.00 41.23 H new ATOM 0 HG22 ILE A 31 8.775 -16.999 5.370 1.00 41.23 H new ATOM 0 HG23 ILE A 31 7.176 -17.770 5.248 1.00 41.23 H new ATOM 0 HD11 ILE A 31 7.122 -20.978 7.934 1.00 3.32 H new ATOM 0 HD12 ILE A 31 8.686 -20.146 8.106 1.00 3.32 H new ATOM 0 HD13 ILE A 31 7.209 -19.206 7.789 1.00 3.32 H new ATOM 483 N ASN A 32 9.232 -17.275 2.783 1.00 72.34 N ATOM 484 CA ASN A 32 9.939 -16.163 2.165 1.00 15.12 C ATOM 485 C ASN A 32 10.383 -15.155 3.211 1.00 73.04 C ATOM 486 O ASN A 32 11.579 -14.977 3.453 1.00 13.03 O ATOM 487 CB ASN A 32 9.049 -15.461 1.136 1.00 71.30 C ATOM 488 CG ASN A 32 8.647 -16.362 -0.014 1.00 3.15 C ATOM 489 OD1 ASN A 32 9.385 -17.268 -0.402 1.00 51.12 O ATOM 490 ND2 ASN A 32 7.466 -16.120 -0.563 1.00 22.03 N ATOM 0 H ASN A 32 8.218 -17.243 2.676 1.00 72.34 H new ATOM 0 HA ASN A 32 10.818 -16.569 1.665 1.00 15.12 H new ATOM 0 HB2 ASN A 32 8.151 -15.092 1.632 1.00 71.30 H new ATOM 0 HB3 ASN A 32 9.575 -14.592 0.742 1.00 71.30 H new ATOM 0 HD21 ASN A 32 7.137 -16.695 -1.338 1.00 22.03 H new ATOM 0 HD22 ASN A 32 6.886 -15.359 -0.210 1.00 22.03 H new ATOM 497 N PHE A 33 9.411 -14.495 3.827 1.00 4.32 N ATOM 498 CA PHE A 33 9.695 -13.438 4.783 1.00 60.13 C ATOM 499 C PHE A 33 8.847 -13.593 6.042 1.00 71.25 C ATOM 500 O PHE A 33 7.620 -13.710 5.967 1.00 43.02 O ATOM 501 CB PHE A 33 9.414 -12.067 4.156 1.00 25.12 C ATOM 502 CG PHE A 33 10.116 -11.826 2.849 1.00 51.52 C ATOM 503 CD1 PHE A 33 9.412 -11.872 1.655 1.00 50.10 C ATOM 504 CD2 PHE A 33 11.472 -11.553 2.811 1.00 1.10 C ATOM 505 CE1 PHE A 33 10.048 -11.650 0.451 1.00 3.21 C ATOM 506 CE2 PHE A 33 12.115 -11.330 1.609 1.00 62.54 C ATOM 507 CZ PHE A 33 11.403 -11.379 0.427 1.00 65.33 C ATOM 0 H PHE A 33 8.418 -14.675 3.680 1.00 4.32 H new ATOM 0 HA PHE A 33 10.748 -13.511 5.055 1.00 60.13 H new ATOM 0 HB2 PHE A 33 8.340 -11.965 4.002 1.00 25.12 H new ATOM 0 HB3 PHE A 33 9.710 -11.291 4.862 1.00 25.12 H new ATOM 0 HD1 PHE A 33 8.353 -12.084 1.668 1.00 50.10 H new ATOM 0 HD2 PHE A 33 12.034 -11.514 3.732 1.00 1.10 H new ATOM 0 HE1 PHE A 33 9.488 -11.688 -0.472 1.00 3.21 H new ATOM 0 HE2 PHE A 33 13.174 -11.117 1.594 1.00 62.54 H new ATOM 0 HZ PHE A 33 11.904 -11.206 -0.514 1.00 65.33 H new ATOM 517 N LEU A 34 9.508 -13.609 7.189 1.00 45.21 N ATOM 518 CA LEU A 34 8.825 -13.562 8.473 1.00 44.33 C ATOM 519 C LEU A 34 8.550 -12.107 8.835 1.00 61.32 C ATOM 520 O LEU A 34 9.431 -11.258 8.695 1.00 5.11 O ATOM 521 CB LEU A 34 9.667 -14.229 9.577 1.00 2.10 C ATOM 522 CG LEU A 34 9.656 -15.767 9.607 1.00 42.44 C ATOM 523 CD1 LEU A 34 8.231 -16.294 9.711 1.00 10.42 C ATOM 524 CD2 LEU A 34 10.361 -16.349 8.389 1.00 73.11 C ATOM 0 H LEU A 34 10.525 -13.655 7.257 1.00 45.21 H new ATOM 0 HA LEU A 34 7.887 -14.111 8.392 1.00 44.33 H new ATOM 0 HB2 LEU A 34 10.699 -13.896 9.468 1.00 2.10 H new ATOM 0 HB3 LEU A 34 9.315 -13.865 10.542 1.00 2.10 H new ATOM 0 HG LEU A 34 10.205 -16.087 10.493 1.00 42.44 H new ATOM 0 HD11 LEU A 34 8.247 -17.384 9.731 1.00 10.42 H new ATOM 0 HD12 LEU A 34 7.771 -15.921 10.626 1.00 10.42 H new ATOM 0 HD13 LEU A 34 7.654 -15.955 8.851 1.00 10.42 H new ATOM 0 HD21 LEU A 34 10.336 -17.438 8.440 1.00 73.11 H new ATOM 0 HD22 LEU A 34 9.855 -16.016 7.482 1.00 73.11 H new ATOM 0 HD23 LEU A 34 11.397 -16.010 8.372 1.00 73.11 H new ATOM 536 N PRO A 35 7.325 -11.801 9.288 1.00 32.22 N ATOM 537 CA PRO A 35 6.912 -10.427 9.599 1.00 5.03 C ATOM 538 C PRO A 35 7.721 -9.806 10.736 1.00 10.23 C ATOM 539 O PRO A 35 8.060 -10.481 11.718 1.00 63.24 O ATOM 540 CB PRO A 35 5.441 -10.576 10.007 1.00 22.10 C ATOM 541 CG PRO A 35 5.295 -12.001 10.410 1.00 24.21 C ATOM 542 CD PRO A 35 6.245 -12.770 9.537 1.00 34.40 C ATOM 0 HA PRO A 35 7.069 -9.761 8.750 1.00 5.03 H new ATOM 0 HB2 PRO A 35 5.190 -9.906 10.829 1.00 22.10 H new ATOM 0 HB3 PRO A 35 4.775 -10.330 9.180 1.00 22.10 H new ATOM 0 HG2 PRO A 35 5.536 -12.136 11.464 1.00 24.21 H new ATOM 0 HG3 PRO A 35 4.270 -12.344 10.270 1.00 24.21 H new ATOM 0 HD2 PRO A 35 6.614 -13.667 10.035 1.00 34.40 H new ATOM 0 HD3 PRO A 35 5.770 -13.092 8.610 1.00 34.40 H new ATOM 550 N VAL A 36 8.032 -8.519 10.591 1.00 60.55 N ATOM 551 CA VAL A 36 8.731 -7.766 11.626 1.00 53.33 C ATOM 552 C VAL A 36 7.814 -7.549 12.835 1.00 1.10 C ATOM 553 O VAL A 36 7.164 -6.510 12.978 1.00 72.31 O ATOM 554 CB VAL A 36 9.280 -6.416 11.082 1.00 4.21 C ATOM 555 CG1 VAL A 36 8.199 -5.617 10.362 1.00 64.12 C ATOM 556 CG2 VAL A 36 9.902 -5.586 12.198 1.00 25.11 C ATOM 0 H VAL A 36 7.808 -7.974 9.759 1.00 60.55 H new ATOM 0 HA VAL A 36 9.592 -8.352 11.948 1.00 53.33 H new ATOM 0 HB VAL A 36 10.057 -6.655 10.356 1.00 4.21 H new ATOM 0 HG11 VAL A 36 8.621 -4.681 9.997 1.00 64.12 H new ATOM 0 HG12 VAL A 36 7.818 -6.196 9.521 1.00 64.12 H new ATOM 0 HG13 VAL A 36 7.384 -5.402 11.053 1.00 64.12 H new ATOM 0 HG21 VAL A 36 10.277 -4.648 11.788 1.00 25.11 H new ATOM 0 HG22 VAL A 36 9.149 -5.375 12.957 1.00 25.11 H new ATOM 0 HG23 VAL A 36 10.726 -6.140 12.648 1.00 25.11 H new ATOM 566 N ASP A 37 7.752 -8.575 13.673 1.00 75.53 N ATOM 567 CA ASP A 37 6.872 -8.606 14.837 1.00 0.24 C ATOM 568 C ASP A 37 6.929 -9.998 15.450 1.00 61.43 C ATOM 569 O ASP A 37 6.698 -10.186 16.642 1.00 74.15 O ATOM 570 CB ASP A 37 5.424 -8.293 14.440 1.00 1.03 C ATOM 571 CG ASP A 37 4.580 -7.793 15.597 1.00 73.54 C ATOM 572 OD1 ASP A 37 4.169 -8.608 16.445 1.00 11.24 O ATOM 573 OD2 ASP A 37 4.305 -6.574 15.651 1.00 24.30 O1- ATOM 0 H ASP A 37 8.316 -9.418 13.564 1.00 75.53 H new ATOM 0 HA ASP A 37 7.204 -7.853 15.551 1.00 0.24 H new ATOM 0 HB2 ASP A 37 5.425 -7.543 13.649 1.00 1.03 H new ATOM 0 HB3 ASP A 37 4.966 -9.191 14.026 1.00 1.03 H new ATOM 578 N TYR A 38 7.242 -10.975 14.607 1.00 64.13 N ATOM 579 CA TYR A 38 7.296 -12.370 15.021 1.00 64.04 C ATOM 580 C TYR A 38 8.543 -12.639 15.863 1.00 13.41 C ATOM 581 O TYR A 38 9.597 -12.034 15.640 1.00 72.14 O ATOM 582 CB TYR A 38 7.291 -13.274 13.786 1.00 31.23 C ATOM 583 CG TYR A 38 6.695 -14.641 14.031 1.00 53.15 C ATOM 584 CD1 TYR A 38 7.502 -15.749 14.255 1.00 63.21 C ATOM 585 CD2 TYR A 38 5.320 -14.819 14.038 1.00 42.20 C ATOM 586 CE1 TYR A 38 6.951 -16.996 14.477 1.00 51.34 C ATOM 587 CE2 TYR A 38 4.762 -16.061 14.259 1.00 74.11 C ATOM 588 CZ TYR A 38 5.580 -17.145 14.479 1.00 52.12 C ATOM 589 OH TYR A 38 5.022 -18.384 14.696 1.00 52.04 O ATOM 0 H TYR A 38 7.464 -10.823 13.623 1.00 64.13 H new ATOM 0 HA TYR A 38 6.419 -12.586 15.632 1.00 64.04 H new ATOM 0 HB2 TYR A 38 6.732 -12.782 12.990 1.00 31.23 H new ATOM 0 HB3 TYR A 38 8.315 -13.393 13.431 1.00 31.23 H new ATOM 0 HD1 TYR A 38 8.576 -15.634 14.256 1.00 63.21 H new ATOM 0 HD2 TYR A 38 4.674 -13.970 13.867 1.00 42.20 H new ATOM 0 HE1 TYR A 38 7.590 -17.850 14.648 1.00 51.34 H new ATOM 0 HE2 TYR A 38 3.689 -16.182 14.259 1.00 74.11 H new ATOM 0 HH TYR A 38 4.079 -18.369 14.429 1.00 52.04 H new ATOM 599 N GLU A 39 8.409 -13.546 16.827 1.00 24.42 N ATOM 600 CA GLU A 39 9.509 -13.904 17.716 1.00 12.31 C ATOM 601 C GLU A 39 9.760 -15.408 17.679 1.00 14.54 C ATOM 602 O GLU A 39 8.876 -16.184 17.307 1.00 3.41 O ATOM 603 CB GLU A 39 9.194 -13.487 19.153 1.00 45.13 C ATOM 604 CG GLU A 39 8.915 -12.005 19.321 1.00 72.52 C ATOM 605 CD GLU A 39 8.409 -11.679 20.708 1.00 31.14 C ATOM 606 OE1 GLU A 39 7.355 -12.229 21.101 1.00 5.53 O ATOM 607 OE2 GLU A 39 9.046 -10.862 21.404 1.00 51.15 O1- ATOM 0 H GLU A 39 7.542 -14.050 17.013 1.00 24.42 H new ATOM 0 HA GLU A 39 10.401 -13.379 17.373 1.00 12.31 H new ATOM 0 HB2 GLU A 39 8.329 -14.051 19.502 1.00 45.13 H new ATOM 0 HB3 GLU A 39 10.033 -13.763 19.792 1.00 45.13 H new ATOM 0 HG2 GLU A 39 9.826 -11.440 19.125 1.00 72.52 H new ATOM 0 HG3 GLU A 39 8.179 -11.688 18.582 1.00 72.52 H new ATOM 614 N ILE A 40 10.962 -15.810 18.071 1.00 4.54 N ATOM 615 CA ILE A 40 11.320 -17.223 18.148 1.00 42.33 C ATOM 616 C ILE A 40 12.151 -17.501 19.398 1.00 75.11 C ATOM 617 O ILE A 40 12.890 -16.631 19.870 1.00 0.45 O ATOM 618 CB ILE A 40 12.112 -17.693 16.905 1.00 22.13 C ATOM 619 CG1 ILE A 40 13.356 -16.828 16.698 1.00 63.20 C ATOM 620 CG2 ILE A 40 11.232 -17.677 15.664 1.00 63.11 C ATOM 621 CD1 ILE A 40 14.226 -17.276 15.542 1.00 11.34 C ATOM 0 H ILE A 40 11.711 -15.173 18.343 1.00 4.54 H new ATOM 0 HA ILE A 40 10.384 -17.780 18.191 1.00 42.33 H new ATOM 0 HB ILE A 40 12.435 -18.720 17.077 1.00 22.13 H new ATOM 0 HG12 ILE A 40 13.046 -15.797 16.529 1.00 63.20 H new ATOM 0 HG13 ILE A 40 13.950 -16.837 17.612 1.00 63.20 H new ATOM 0 HG21 ILE A 40 11.811 -18.011 14.803 1.00 63.11 H new ATOM 0 HG22 ILE A 40 10.383 -18.344 15.812 1.00 63.11 H new ATOM 0 HG23 ILE A 40 10.871 -16.664 15.487 1.00 63.11 H new ATOM 0 HD11 ILE A 40 15.088 -16.615 15.458 1.00 11.34 H new ATOM 0 HD12 ILE A 40 14.567 -18.296 15.717 1.00 11.34 H new ATOM 0 HD13 ILE A 40 13.650 -17.240 14.618 1.00 11.34 H new ATOM 633 N GLU A 41 12.018 -18.710 19.933 1.00 61.12 N ATOM 634 CA GLU A 41 12.779 -19.124 21.106 1.00 13.03 C ATOM 635 C GLU A 41 13.770 -20.227 20.722 1.00 60.15 C ATOM 636 O GLU A 41 13.676 -20.809 19.636 1.00 54.15 O ATOM 637 CB GLU A 41 11.839 -19.623 22.213 1.00 74.33 C ATOM 638 CG GLU A 41 12.497 -19.693 23.586 1.00 15.40 C ATOM 639 CD GLU A 41 11.654 -20.413 24.618 1.00 2.52 C ATOM 640 OE1 GLU A 41 10.565 -19.916 24.957 1.00 21.53 O ATOM 641 OE2 GLU A 41 12.091 -21.478 25.110 1.00 65.45 O1- ATOM 0 H GLU A 41 11.386 -19.424 19.570 1.00 61.12 H new ATOM 0 HA GLU A 41 13.330 -18.263 21.484 1.00 13.03 H new ATOM 0 HB2 GLU A 41 10.973 -18.963 22.268 1.00 74.33 H new ATOM 0 HB3 GLU A 41 11.469 -20.613 21.945 1.00 74.33 H new ATOM 0 HG2 GLU A 41 13.458 -20.199 23.495 1.00 15.40 H new ATOM 0 HG3 GLU A 41 12.701 -18.681 23.936 1.00 15.40 H new ATOM 648 N TYR A 42 14.704 -20.521 21.617 1.00 75.13 N ATOM 649 CA TYR A 42 15.743 -21.508 21.351 1.00 70.02 C ATOM 650 C TYR A 42 15.593 -22.742 22.225 1.00 70.13 C ATOM 651 O TYR A 42 15.911 -22.721 23.414 1.00 31.24 O ATOM 652 CB TYR A 42 17.132 -20.911 21.553 1.00 71.13 C ATOM 653 CG TYR A 42 17.554 -19.981 20.445 1.00 14.45 C ATOM 654 CD1 TYR A 42 18.221 -20.468 19.328 1.00 42.45 C ATOM 655 CD2 TYR A 42 17.286 -18.624 20.510 1.00 74.53 C ATOM 656 CE1 TYR A 42 18.610 -19.624 18.308 1.00 52.40 C ATOM 657 CE2 TYR A 42 17.671 -17.776 19.495 1.00 60.14 C ATOM 658 CZ TYR A 42 18.332 -18.280 18.396 1.00 71.20 C ATOM 659 OH TYR A 42 18.720 -17.432 17.383 1.00 33.12 O ATOM 0 H TYR A 42 14.763 -20.088 22.538 1.00 75.13 H new ATOM 0 HA TYR A 42 15.627 -21.808 20.310 1.00 70.02 H new ATOM 0 HB2 TYR A 42 17.152 -20.369 22.499 1.00 71.13 H new ATOM 0 HB3 TYR A 42 17.858 -21.720 21.634 1.00 71.13 H new ATOM 0 HD1 TYR A 42 18.438 -21.523 19.257 1.00 42.45 H new ATOM 0 HD2 TYR A 42 16.768 -18.225 21.369 1.00 74.53 H new ATOM 0 HE1 TYR A 42 19.129 -20.016 17.446 1.00 52.40 H new ATOM 0 HE2 TYR A 42 17.456 -16.720 19.560 1.00 60.14 H new ATOM 0 HH TYR A 42 18.005 -17.370 16.716 1.00 33.12 H new ATOM 669 N VAL A 43 15.071 -23.802 21.641 1.00 14.33 N ATOM 670 CA VAL A 43 15.041 -25.096 22.301 1.00 13.01 C ATOM 671 C VAL A 43 16.237 -25.919 21.838 1.00 43.53 C ATOM 672 O VAL A 43 16.752 -25.700 20.744 1.00 23.35 O ATOM 673 CB VAL A 43 13.733 -25.861 22.003 1.00 2.42 C ATOM 674 CG1 VAL A 43 12.535 -25.112 22.567 1.00 12.10 C ATOM 675 CG2 VAL A 43 13.564 -26.085 20.505 1.00 10.23 C ATOM 0 H VAL A 43 14.660 -23.794 20.708 1.00 14.33 H new ATOM 0 HA VAL A 43 15.088 -24.932 23.378 1.00 13.01 H new ATOM 0 HB VAL A 43 13.793 -26.835 22.489 1.00 2.42 H new ATOM 0 HG11 VAL A 43 11.623 -25.667 22.347 1.00 12.10 H new ATOM 0 HG12 VAL A 43 12.646 -25.009 23.646 1.00 12.10 H new ATOM 0 HG13 VAL A 43 12.477 -24.123 22.112 1.00 12.10 H new ATOM 0 HG21 VAL A 43 12.636 -26.626 20.320 1.00 10.23 H new ATOM 0 HG22 VAL A 43 13.531 -25.122 19.995 1.00 10.23 H new ATOM 0 HG23 VAL A 43 14.404 -26.667 20.127 1.00 10.23 H new ATOM 685 N CYS A 44 16.692 -26.847 22.657 1.00 44.41 N ATOM 686 CA CYS A 44 17.823 -27.675 22.276 1.00 33.42 C ATOM 687 C CYS A 44 17.314 -28.907 21.538 1.00 23.24 C ATOM 688 O CYS A 44 16.110 -29.179 21.540 1.00 51.42 O ATOM 689 CB CYS A 44 18.643 -28.068 23.511 1.00 2.24 C ATOM 690 SG CYS A 44 20.232 -28.884 23.141 1.00 3.51 S ATOM 0 H CYS A 44 16.303 -27.046 23.579 1.00 44.41 H new ATOM 0 HA CYS A 44 18.480 -27.112 21.613 1.00 33.42 H new ATOM 0 HB2 CYS A 44 18.838 -27.172 24.101 1.00 2.24 H new ATOM 0 HB3 CYS A 44 18.044 -28.734 24.132 1.00 2.24 H new ATOM 695 N ARG A 45 18.219 -29.639 20.898 1.00 62.05 N ATOM 696 CA ARG A 45 17.831 -30.794 20.097 1.00 5.01 C ATOM 697 C ARG A 45 17.100 -31.818 20.968 1.00 54.03 C ATOM 698 O ARG A 45 17.663 -32.357 21.923 1.00 24.32 O ATOM 699 CB ARG A 45 19.065 -31.427 19.438 1.00 71.44 C ATOM 700 CG ARG A 45 18.788 -32.043 18.071 1.00 42.32 C ATOM 701 CD ARG A 45 17.857 -33.242 18.155 1.00 12.32 C ATOM 702 NE ARG A 45 17.452 -33.714 16.832 1.00 32.41 N ATOM 703 CZ ARG A 45 17.087 -34.967 16.559 1.00 70.05 C ATOM 704 NH1 ARG A 45 17.108 -35.896 17.503 1.00 54.35 N1+ ATOM 705 NH2 ARG A 45 16.710 -35.289 15.331 1.00 35.41 N ATOM 0 H ARG A 45 19.222 -29.454 20.918 1.00 62.05 H new ATOM 0 HA ARG A 45 17.154 -30.463 19.309 1.00 5.01 H new ATOM 0 HB2 ARG A 45 19.839 -30.667 19.333 1.00 71.44 H new ATOM 0 HB3 ARG A 45 19.463 -32.197 20.099 1.00 71.44 H new ATOM 0 HG2 ARG A 45 18.348 -31.289 17.418 1.00 42.32 H new ATOM 0 HG3 ARG A 45 19.730 -32.349 17.615 1.00 42.32 H new ATOM 0 HD2 ARG A 45 18.354 -34.050 18.692 1.00 12.32 H new ATOM 0 HD3 ARG A 45 16.971 -32.974 18.731 1.00 12.32 H new ATOM 0 HE ARG A 45 17.448 -33.040 16.067 1.00 32.41 H new ATOM 0 HH11 ARG A 45 17.405 -35.656 18.449 1.00 54.35 H new ATOM 0 HH12 ARG A 45 16.827 -36.852 17.284 1.00 54.35 H new ATOM 0 HH21 ARG A 45 16.700 -34.580 14.598 1.00 35.41 H new ATOM 0 HH22 ARG A 45 16.430 -36.246 15.118 1.00 35.41 H new ATOM 719 N GLY A 46 15.841 -32.064 20.643 1.00 62.21 N ATOM 720 CA GLY A 46 15.023 -32.954 21.436 1.00 35.13 C ATOM 721 C GLY A 46 14.019 -32.177 22.259 1.00 50.42 C ATOM 722 O GLY A 46 13.205 -31.435 21.710 1.00 24.32 O ATOM 0 H GLY A 46 15.368 -31.658 19.836 1.00 62.21 H new ATOM 0 HA2 GLY A 46 14.500 -33.653 20.783 1.00 35.13 H new ATOM 0 HA3 GLY A 46 15.657 -33.547 22.095 1.00 35.13 H new ATOM 726 N GLU A 47 14.086 -32.331 23.571 1.00 62.41 N ATOM 727 CA GLU A 47 13.209 -31.593 24.472 1.00 21.42 C ATOM 728 C GLU A 47 14.024 -30.932 25.575 1.00 12.53 C ATOM 729 O GLU A 47 13.517 -30.639 26.659 1.00 4.41 O ATOM 730 CB GLU A 47 12.157 -32.524 25.077 1.00 22.13 C ATOM 731 CG GLU A 47 12.737 -33.695 25.854 1.00 11.01 C ATOM 732 CD GLU A 47 11.667 -34.508 26.548 1.00 54.23 C ATOM 733 OE1 GLU A 47 11.080 -35.401 25.903 1.00 31.03 O ATOM 734 OE2 GLU A 47 11.396 -34.245 27.739 1.00 71.43 O1- ATOM 0 H GLU A 47 14.738 -32.960 24.039 1.00 62.41 H new ATOM 0 HA GLU A 47 12.698 -30.818 23.901 1.00 21.42 H new ATOM 0 HB2 GLU A 47 11.513 -31.945 25.740 1.00 22.13 H new ATOM 0 HB3 GLU A 47 11.526 -32.910 24.277 1.00 22.13 H new ATOM 0 HG2 GLU A 47 13.296 -34.338 25.174 1.00 11.01 H new ATOM 0 HG3 GLU A 47 13.445 -33.322 26.594 1.00 11.01 H new ATOM 741 N ARG A 48 15.286 -30.669 25.280 1.00 3.22 N ATOM 742 CA ARG A 48 16.186 -30.090 26.263 1.00 11.31 C ATOM 743 C ARG A 48 16.103 -28.576 26.207 1.00 51.34 C ATOM 744 O ARG A 48 16.068 -27.985 25.128 1.00 74.21 O ATOM 745 CB ARG A 48 17.626 -30.554 26.019 1.00 14.32 C ATOM 746 CG ARG A 48 17.797 -32.064 26.094 1.00 42.31 C ATOM 747 CD ARG A 48 17.459 -32.599 27.476 1.00 42.54 C ATOM 748 NE ARG A 48 18.454 -32.223 28.476 1.00 62.44 N ATOM 749 CZ ARG A 48 18.204 -32.149 29.783 1.00 10.24 C ATOM 750 NH1 ARG A 48 16.965 -32.291 30.238 1.00 25.54 N1+ ATOM 751 NH2 ARG A 48 19.191 -31.910 30.638 1.00 20.12 N ATOM 0 H ARG A 48 15.710 -30.847 24.369 1.00 3.22 H new ATOM 0 HA ARG A 48 15.884 -30.427 27.255 1.00 11.31 H new ATOM 0 HB2 ARG A 48 17.950 -30.208 25.037 1.00 14.32 H new ATOM 0 HB3 ARG A 48 18.280 -30.085 26.754 1.00 14.32 H new ATOM 0 HG2 ARG A 48 17.156 -32.540 25.352 1.00 42.31 H new ATOM 0 HG3 ARG A 48 18.825 -32.327 25.843 1.00 42.31 H new ATOM 0 HD2 ARG A 48 16.482 -32.223 27.780 1.00 42.54 H new ATOM 0 HD3 ARG A 48 17.383 -33.686 27.434 1.00 42.54 H new ATOM 0 HE ARG A 48 19.397 -32.004 28.155 1.00 62.44 H new ATOM 0 HH11 ARG A 48 16.198 -32.458 29.586 1.00 25.54 H new ATOM 0 HH12 ARG A 48 16.780 -32.233 31.239 1.00 25.54 H new ATOM 0 HH21 ARG A 48 20.143 -31.783 30.295 1.00 20.12 H new ATOM 0 HH22 ARG A 48 18.997 -31.854 31.638 1.00 20.12 H new ATOM 765 N GLU A 49 16.047 -27.956 27.369 1.00 44.11 N ATOM 766 CA GLU A 49 15.955 -26.512 27.459 1.00 30.02 C ATOM 767 C GLU A 49 17.342 -25.918 27.648 1.00 63.13 C ATOM 768 O GLU A 49 18.269 -26.612 28.072 1.00 72.31 O ATOM 769 CB GLU A 49 15.053 -26.114 28.627 1.00 5.24 C ATOM 770 CG GLU A 49 13.709 -26.826 28.627 1.00 21.11 C ATOM 771 CD GLU A 49 12.861 -26.465 29.826 1.00 74.41 C ATOM 772 OE1 GLU A 49 11.732 -25.970 29.632 1.00 50.41 O ATOM 773 OE2 GLU A 49 13.326 -26.662 30.970 1.00 41.04 O1- ATOM 0 H GLU A 49 16.064 -28.434 28.270 1.00 44.11 H new ATOM 0 HA GLU A 49 15.524 -26.126 26.535 1.00 30.02 H new ATOM 0 HB2 GLU A 49 15.569 -26.328 29.563 1.00 5.24 H new ATOM 0 HB3 GLU A 49 14.885 -25.038 28.595 1.00 5.24 H new ATOM 0 HG2 GLU A 49 13.168 -26.574 27.715 1.00 21.11 H new ATOM 0 HG3 GLU A 49 13.873 -27.904 28.613 1.00 21.11 H new ATOM 780 N VAL A 50 17.487 -24.644 27.328 1.00 34.14 N ATOM 781 CA VAL A 50 18.764 -23.968 27.477 1.00 54.31 C ATOM 782 C VAL A 50 18.622 -22.760 28.393 1.00 4.42 C ATOM 783 O VAL A 50 17.547 -22.160 28.479 1.00 41.03 O ATOM 784 CB VAL A 50 19.333 -23.501 26.115 1.00 15.41 C ATOM 785 CG1 VAL A 50 19.513 -24.677 25.173 1.00 14.02 C ATOM 786 CG2 VAL A 50 18.442 -22.440 25.482 1.00 31.42 C ATOM 0 H VAL A 50 16.737 -24.057 26.963 1.00 34.14 H new ATOM 0 HA VAL A 50 19.456 -24.689 27.913 1.00 54.31 H new ATOM 0 HB VAL A 50 20.311 -23.055 26.299 1.00 15.41 H new ATOM 0 HG11 VAL A 50 19.914 -24.324 24.223 1.00 14.02 H new ATOM 0 HG12 VAL A 50 20.205 -25.394 25.615 1.00 14.02 H new ATOM 0 HG13 VAL A 50 18.550 -25.159 25.004 1.00 14.02 H new ATOM 0 HG21 VAL A 50 18.867 -22.131 24.527 1.00 31.42 H new ATOM 0 HG22 VAL A 50 17.445 -22.851 25.320 1.00 31.42 H new ATOM 0 HG23 VAL A 50 18.376 -21.578 26.145 1.00 31.42 H new ATOM 796 N VAL A 51 19.692 -22.425 29.096 1.00 23.20 N ATOM 797 CA VAL A 51 19.722 -21.194 29.862 1.00 2.24 C ATOM 798 C VAL A 51 20.507 -20.137 29.088 1.00 12.52 C ATOM 799 O VAL A 51 21.740 -20.114 29.079 1.00 73.23 O ATOM 800 CB VAL A 51 20.312 -21.407 31.279 1.00 35.20 C ATOM 801 CG1 VAL A 51 21.670 -22.096 31.223 1.00 24.00 C ATOM 802 CG2 VAL A 51 20.405 -20.084 32.028 1.00 4.13 C ATOM 0 H VAL A 51 20.543 -22.984 29.151 1.00 23.20 H new ATOM 0 HA VAL A 51 18.698 -20.849 30.003 1.00 2.24 H new ATOM 0 HB VAL A 51 19.634 -22.064 31.824 1.00 35.20 H new ATOM 0 HG11 VAL A 51 22.053 -22.229 32.235 1.00 24.00 H new ATOM 0 HG12 VAL A 51 21.565 -23.070 30.744 1.00 24.00 H new ATOM 0 HG13 VAL A 51 22.365 -21.483 30.649 1.00 24.00 H new ATOM 0 HG21 VAL A 51 20.822 -20.256 33.020 1.00 4.13 H new ATOM 0 HG22 VAL A 51 21.050 -19.399 31.478 1.00 4.13 H new ATOM 0 HG23 VAL A 51 19.410 -19.649 32.123 1.00 4.13 H new ATOM 812 N GLY A 52 19.770 -19.303 28.381 1.00 43.00 N ATOM 813 CA GLY A 52 20.375 -18.298 27.544 1.00 12.21 C ATOM 814 C GLY A 52 19.448 -17.129 27.321 1.00 21.54 C ATOM 815 O GLY A 52 18.279 -17.193 27.706 1.00 21.14 O ATOM 0 H GLY A 52 18.750 -19.305 28.373 1.00 43.00 H new ATOM 0 HA2 GLY A 52 21.299 -17.948 28.005 1.00 12.21 H new ATOM 0 HA3 GLY A 52 20.645 -18.738 26.584 1.00 12.21 H new ATOM 819 N PRO A 53 19.929 -16.048 26.698 1.00 41.45 N ATOM 820 CA PRO A 53 19.067 -14.944 26.271 1.00 13.20 C ATOM 821 C PRO A 53 18.250 -15.346 25.042 1.00 34.33 C ATOM 822 O PRO A 53 18.292 -14.685 24.003 1.00 53.40 O ATOM 823 CB PRO A 53 20.065 -13.837 25.924 1.00 30.31 C ATOM 824 CG PRO A 53 21.309 -14.555 25.531 1.00 70.42 C ATOM 825 CD PRO A 53 21.346 -15.815 26.355 1.00 22.42 C ATOM 0 HA PRO A 53 18.343 -14.643 27.028 1.00 13.20 H new ATOM 0 HB2 PRO A 53 19.695 -13.212 25.111 1.00 30.31 H new ATOM 0 HB3 PRO A 53 20.240 -13.181 26.776 1.00 30.31 H new ATOM 0 HG2 PRO A 53 21.305 -14.787 24.466 1.00 70.42 H new ATOM 0 HG3 PRO A 53 22.189 -13.940 25.720 1.00 70.42 H new ATOM 0 HD2 PRO A 53 21.765 -16.650 25.793 1.00 22.42 H new ATOM 0 HD3 PRO A 53 21.960 -15.692 27.248 1.00 22.42 H new ATOM 833 N LYS A 54 17.510 -16.443 25.174 1.00 53.33 N ATOM 834 CA LYS A 54 16.790 -17.020 24.055 1.00 53.43 C ATOM 835 C LYS A 54 15.542 -16.209 23.714 1.00 54.24 C ATOM 836 O LYS A 54 14.450 -16.466 24.221 1.00 72.35 O ATOM 837 CB LYS A 54 16.419 -18.479 24.350 1.00 14.34 C ATOM 838 CG LYS A 54 15.780 -18.692 25.716 1.00 2.25 C ATOM 839 CD LYS A 54 15.189 -20.085 25.851 1.00 62.01 C ATOM 840 CE LYS A 54 14.433 -20.240 27.163 1.00 22.54 C ATOM 841 NZ LYS A 54 13.706 -21.536 27.242 1.00 20.32 N1+ ATOM 0 H LYS A 54 17.396 -16.949 26.052 1.00 53.33 H new ATOM 0 HA LYS A 54 17.449 -16.994 23.187 1.00 53.43 H new ATOM 0 HB2 LYS A 54 15.732 -18.831 23.580 1.00 14.34 H new ATOM 0 HB3 LYS A 54 17.317 -19.093 24.281 1.00 14.34 H new ATOM 0 HG2 LYS A 54 16.527 -18.537 26.495 1.00 2.25 H new ATOM 0 HG3 LYS A 54 14.998 -17.949 25.871 1.00 2.25 H new ATOM 0 HD2 LYS A 54 14.516 -20.279 25.016 1.00 62.01 H new ATOM 0 HD3 LYS A 54 15.986 -20.827 25.798 1.00 62.01 H new ATOM 0 HE2 LYS A 54 15.133 -20.167 27.995 1.00 22.54 H new ATOM 0 HE3 LYS A 54 13.723 -19.420 27.271 1.00 22.54 H new ATOM 0 HZ1 LYS A 54 12.945 -21.465 27.947 1.00 20.32 H new ATOM 0 HZ2 LYS A 54 13.297 -21.762 26.313 1.00 20.32 H new ATOM 0 HZ3 LYS A 54 14.367 -22.289 27.521 1.00 20.32 H new ATOM 855 N VAL A 55 15.728 -15.209 22.873 1.00 2.14 N ATOM 856 CA VAL A 55 14.627 -14.439 22.328 1.00 11.43 C ATOM 857 C VAL A 55 15.094 -13.698 21.083 1.00 43.22 C ATOM 858 O VAL A 55 16.139 -13.047 21.091 1.00 65.24 O ATOM 859 CB VAL A 55 14.038 -13.441 23.363 1.00 34.24 C ATOM 860 CG1 VAL A 55 15.095 -12.464 23.856 1.00 71.14 C ATOM 861 CG2 VAL A 55 12.842 -12.697 22.779 1.00 74.12 C ATOM 0 H VAL A 55 16.647 -14.908 22.549 1.00 2.14 H new ATOM 0 HA VAL A 55 13.829 -15.134 22.068 1.00 11.43 H new ATOM 0 HB VAL A 55 13.695 -14.019 24.222 1.00 34.24 H new ATOM 0 HG11 VAL A 55 14.650 -11.780 24.579 1.00 71.14 H new ATOM 0 HG12 VAL A 55 15.907 -13.015 24.331 1.00 71.14 H new ATOM 0 HG13 VAL A 55 15.487 -11.896 23.012 1.00 71.14 H new ATOM 0 HG21 VAL A 55 12.447 -12.004 23.522 1.00 74.12 H new ATOM 0 HG22 VAL A 55 13.155 -12.142 21.895 1.00 74.12 H new ATOM 0 HG23 VAL A 55 12.068 -13.413 22.502 1.00 74.12 H new ATOM 871 N ARG A 56 14.348 -13.835 20.005 1.00 3.44 N ATOM 872 CA ARG A 56 14.683 -13.161 18.761 1.00 30.34 C ATOM 873 C ARG A 56 13.454 -12.487 18.193 1.00 34.22 C ATOM 874 O ARG A 56 12.362 -13.046 18.238 1.00 45.24 O ATOM 875 CB ARG A 56 15.221 -14.142 17.725 1.00 31.13 C ATOM 876 CG ARG A 56 16.400 -14.973 18.188 1.00 60.22 C ATOM 877 CD ARG A 56 17.616 -14.122 18.500 1.00 12.52 C ATOM 878 NE ARG A 56 18.812 -14.950 18.620 1.00 73.32 N ATOM 879 CZ ARG A 56 19.900 -14.615 19.309 1.00 41.54 C ATOM 880 NH1 ARG A 56 19.948 -13.478 19.995 1.00 41.24 N1+ ATOM 881 NH2 ARG A 56 20.944 -15.431 19.312 1.00 53.04 N ATOM 0 H ARG A 56 13.504 -14.407 19.963 1.00 3.44 H new ATOM 0 HA ARG A 56 15.453 -12.423 18.984 1.00 30.34 H new ATOM 0 HB2 ARG A 56 14.415 -14.814 17.429 1.00 31.13 H new ATOM 0 HB3 ARG A 56 15.515 -13.584 16.836 1.00 31.13 H new ATOM 0 HG2 ARG A 56 16.117 -15.538 19.076 1.00 60.22 H new ATOM 0 HG3 ARG A 56 16.656 -15.699 17.416 1.00 60.22 H new ATOM 0 HD2 ARG A 56 17.759 -13.381 17.713 1.00 12.52 H new ATOM 0 HD3 ARG A 56 17.453 -13.574 19.428 1.00 12.52 H new ATOM 0 HE ARG A 56 18.814 -15.851 18.141 1.00 73.32 H new ATOM 0 HH11 ARG A 56 19.144 -12.850 19.998 1.00 41.24 H new ATOM 0 HH12 ARG A 56 20.788 -13.234 20.519 1.00 41.24 H new ATOM 0 HH21 ARG A 56 20.909 -16.306 18.789 1.00 53.04 H new ATOM 0 HH22 ARG A 56 21.783 -15.184 19.837 1.00 53.04 H new ATOM 895 N LYS A 57 13.637 -11.299 17.656 1.00 33.31 N ATOM 896 CA LYS A 57 12.551 -10.587 17.014 1.00 4.11 C ATOM 897 C LYS A 57 13.001 -10.095 15.648 1.00 15.33 C ATOM 898 O LYS A 57 14.135 -9.633 15.489 1.00 3.22 O ATOM 899 CB LYS A 57 12.090 -9.420 17.889 1.00 43.11 C ATOM 900 CG LYS A 57 10.855 -8.707 17.363 1.00 71.30 C ATOM 901 CD LYS A 57 10.368 -7.651 18.342 1.00 14.43 C ATOM 902 CE LYS A 57 11.417 -6.577 18.576 1.00 11.33 C ATOM 903 NZ LYS A 57 10.981 -5.586 19.593 1.00 52.31 N1+ ATOM 0 H LYS A 57 14.529 -10.805 17.651 1.00 33.31 H new ATOM 0 HA LYS A 57 11.706 -11.263 16.882 1.00 4.11 H new ATOM 0 HB2 LYS A 57 11.884 -9.791 18.893 1.00 43.11 H new ATOM 0 HB3 LYS A 57 12.904 -8.700 17.976 1.00 43.11 H new ATOM 0 HG2 LYS A 57 11.082 -8.240 16.405 1.00 71.30 H new ATOM 0 HG3 LYS A 57 10.062 -9.433 17.184 1.00 71.30 H new ATOM 0 HD2 LYS A 57 9.456 -7.192 17.959 1.00 14.43 H new ATOM 0 HD3 LYS A 57 10.113 -8.124 19.290 1.00 14.43 H new ATOM 0 HE2 LYS A 57 12.347 -7.043 18.900 1.00 11.33 H new ATOM 0 HE3 LYS A 57 11.627 -6.065 17.637 1.00 11.33 H new ATOM 0 HZ1 LYS A 57 11.725 -4.871 19.723 1.00 52.31 H new ATOM 0 HZ2 LYS A 57 10.107 -5.122 19.273 1.00 52.31 H new ATOM 0 HZ3 LYS A 57 10.805 -6.070 20.496 1.00 52.31 H new ATOM 917 N CYS A 58 12.130 -10.235 14.663 1.00 72.13 N ATOM 918 CA CYS A 58 12.432 -9.801 13.307 1.00 62.31 C ATOM 919 C CYS A 58 12.456 -8.278 13.233 1.00 74.10 C ATOM 920 O CYS A 58 11.717 -7.601 13.952 1.00 14.35 O ATOM 921 CB CYS A 58 11.402 -10.367 12.324 1.00 65.03 C ATOM 922 SG CYS A 58 11.673 -9.876 10.587 1.00 34.12 S ATOM 0 H CYS A 58 11.204 -10.647 14.777 1.00 72.13 H new ATOM 0 HA CYS A 58 13.417 -10.178 13.032 1.00 62.31 H new ATOM 0 HB2 CYS A 58 11.415 -11.455 12.388 1.00 65.03 H new ATOM 0 HB3 CYS A 58 10.408 -10.042 12.630 1.00 65.03 H new ATOM 927 N LEU A 59 13.321 -7.748 12.378 1.00 20.31 N ATOM 928 CA LEU A 59 13.464 -6.308 12.219 1.00 35.20 C ATOM 929 C LEU A 59 13.080 -5.889 10.803 1.00 35.41 C ATOM 930 O LEU A 59 12.699 -6.725 9.984 1.00 75.32 O ATOM 931 CB LEU A 59 14.905 -5.881 12.523 1.00 75.13 C ATOM 932 CG LEU A 59 15.383 -6.166 13.949 1.00 73.02 C ATOM 933 CD1 LEU A 59 16.830 -5.737 14.122 1.00 24.20 C ATOM 934 CD2 LEU A 59 14.496 -5.458 14.961 1.00 11.24 C ATOM 0 H LEU A 59 13.938 -8.299 11.781 1.00 20.31 H new ATOM 0 HA LEU A 59 12.795 -5.813 12.923 1.00 35.20 H new ATOM 0 HB2 LEU A 59 15.572 -6.388 11.825 1.00 75.13 H new ATOM 0 HB3 LEU A 59 14.998 -4.812 12.333 1.00 75.13 H new ATOM 0 HG LEU A 59 15.318 -7.240 14.124 1.00 73.02 H new ATOM 0 HD11 LEU A 59 17.152 -5.947 15.142 1.00 24.20 H new ATOM 0 HD12 LEU A 59 17.459 -6.287 13.422 1.00 24.20 H new ATOM 0 HD13 LEU A 59 16.919 -4.668 13.927 1.00 24.20 H new ATOM 0 HD21 LEU A 59 14.851 -5.672 15.969 1.00 11.24 H new ATOM 0 HD22 LEU A 59 14.530 -4.383 14.785 1.00 11.24 H new ATOM 0 HD23 LEU A 59 13.470 -5.811 14.855 1.00 11.24 H new ATOM 946 N ALA A 60 13.174 -4.592 10.520 1.00 33.55 N ATOM 947 CA ALA A 60 12.828 -4.067 9.202 1.00 14.42 C ATOM 948 C ALA A 60 13.966 -4.286 8.209 1.00 34.01 C ATOM 949 O ALA A 60 13.816 -4.043 7.011 1.00 3.23 O ATOM 950 CB ALA A 60 12.482 -2.588 9.290 1.00 21.55 C ATOM 0 H ALA A 60 13.487 -3.885 11.186 1.00 33.55 H new ATOM 0 HA ALA A 60 11.954 -4.610 8.843 1.00 14.42 H new ATOM 0 HB1 ALA A 60 12.227 -2.214 8.298 1.00 21.55 H new ATOM 0 HB2 ALA A 60 11.632 -2.452 9.959 1.00 21.55 H new ATOM 0 HB3 ALA A 60 13.339 -2.036 9.676 1.00 21.55 H new ATOM 956 N ASN A 61 15.105 -4.734 8.715 1.00 62.21 N ATOM 957 CA ASN A 61 16.238 -5.066 7.866 1.00 25.33 C ATOM 958 C ASN A 61 16.300 -6.575 7.671 1.00 24.31 C ATOM 959 O ASN A 61 15.631 -7.318 8.391 1.00 33.40 O ATOM 960 CB ASN A 61 17.547 -4.542 8.473 1.00 32.31 C ATOM 961 CG ASN A 61 17.844 -5.112 9.852 1.00 74.35 C ATOM 962 OD1 ASN A 61 18.634 -6.173 9.903 1.00 1.31 O flip ATOM 963 ND2 ASN A 61 17.392 -4.578 10.866 1.00 4.55 N flip ATOM 0 H ASN A 61 15.269 -4.876 9.712 1.00 62.21 H new ATOM 0 HA ASN A 61 16.108 -4.586 6.896 1.00 25.33 H new ATOM 0 HB2 ASN A 61 18.372 -4.784 7.803 1.00 32.31 H new ATOM 0 HB3 ASN A 61 17.498 -3.455 8.540 1.00 32.31 H new ATOM 0 HD21 ASN A 61 16.786 -3.761 10.785 1.00 4.55 H new ATOM 0 HD22 ASN A 61 17.624 -4.952 11.786 1.00 4.55 H new ATOM 970 N GLY A 62 17.092 -7.027 6.706 1.00 21.23 N ATOM 971 CA GLY A 62 17.170 -8.449 6.405 1.00 43.34 C ATOM 972 C GLY A 62 17.988 -9.227 7.417 1.00 30.15 C ATOM 973 O GLY A 62 18.970 -9.880 7.061 1.00 74.22 O ATOM 0 H GLY A 62 17.684 -6.435 6.124 1.00 21.23 H new ATOM 0 HA2 GLY A 62 16.162 -8.862 6.367 1.00 43.34 H new ATOM 0 HA3 GLY A 62 17.606 -8.581 5.415 1.00 43.34 H new ATOM 977 N SER A 63 17.582 -9.152 8.675 1.00 32.44 N ATOM 978 CA SER A 63 18.230 -9.874 9.753 1.00 55.04 C ATOM 979 C SER A 63 17.415 -9.707 11.029 1.00 64.31 C ATOM 980 O SER A 63 16.480 -8.909 11.078 1.00 34.44 O ATOM 981 CB SER A 63 19.665 -9.372 9.968 1.00 2.41 C ATOM 982 OG SER A 63 20.356 -10.165 10.918 1.00 62.04 O ATOM 0 H SER A 63 16.789 -8.585 8.976 1.00 32.44 H new ATOM 0 HA SER A 63 18.283 -10.930 9.488 1.00 55.04 H new ATOM 0 HB2 SER A 63 20.203 -9.387 9.020 1.00 2.41 H new ATOM 0 HB3 SER A 63 19.642 -8.336 10.305 1.00 2.41 H new ATOM 0 HG SER A 63 21.267 -9.821 11.031 1.00 62.04 H new ATOM 988 N TRP A 64 17.775 -10.453 12.053 1.00 43.33 N ATOM 989 CA TRP A 64 17.065 -10.410 13.316 1.00 43.33 C ATOM 990 C TRP A 64 17.829 -9.534 14.307 1.00 14.23 C ATOM 991 O TRP A 64 18.872 -8.981 13.963 1.00 63.32 O ATOM 992 CB TRP A 64 16.881 -11.829 13.862 1.00 65.43 C ATOM 993 CG TRP A 64 16.090 -12.730 12.948 1.00 63.21 C ATOM 994 CD1 TRP A 64 16.482 -13.224 11.733 1.00 40.32 C ATOM 995 CD2 TRP A 64 14.780 -13.261 13.189 1.00 51.21 C ATOM 996 NE1 TRP A 64 15.490 -14.015 11.198 1.00 61.14 N ATOM 997 CE2 TRP A 64 14.437 -14.055 12.076 1.00 3.21 C ATOM 998 CE3 TRP A 64 13.860 -13.138 14.238 1.00 55.00 C ATOM 999 CZ2 TRP A 64 13.218 -14.722 11.987 1.00 45.44 C ATOM 1000 CZ3 TRP A 64 12.651 -13.801 14.146 1.00 13.34 C ATOM 1001 CH2 TRP A 64 12.339 -14.582 13.027 1.00 30.45 C ATOM 0 H TRP A 64 18.562 -11.102 12.035 1.00 43.33 H new ATOM 0 HA TRP A 64 16.077 -9.975 13.164 1.00 43.33 H new ATOM 0 HB2 TRP A 64 17.861 -12.272 14.036 1.00 65.43 H new ATOM 0 HB3 TRP A 64 16.380 -11.775 14.828 1.00 65.43 H new ATOM 0 HD1 TRP A 64 17.433 -13.022 11.262 1.00 40.32 H new ATOM 0 HE1 TRP A 64 15.531 -14.492 10.298 1.00 61.14 H new ATOM 0 HE3 TRP A 64 14.092 -12.535 15.104 1.00 55.00 H new ATOM 0 HZ2 TRP A 64 12.974 -15.329 11.127 1.00 45.44 H new ATOM 0 HZ3 TRP A 64 11.935 -13.715 14.950 1.00 13.34 H new ATOM 0 HH2 TRP A 64 11.384 -15.085 12.983 1.00 30.45 H new ATOM 1012 N THR A 65 17.302 -9.419 15.522 1.00 64.24 N ATOM 1013 CA THR A 65 17.880 -8.560 16.560 1.00 62.45 C ATOM 1014 C THR A 65 19.387 -8.786 16.740 1.00 71.12 C ATOM 1015 O THR A 65 20.179 -7.841 16.702 1.00 30.41 O ATOM 1016 CB THR A 65 17.164 -8.806 17.900 1.00 0.54 C ATOM 1017 OG1 THR A 65 16.926 -10.213 18.073 1.00 14.20 O ATOM 1018 CG2 THR A 65 15.843 -8.052 17.954 1.00 4.51 C ATOM 0 H THR A 65 16.463 -9.917 15.819 1.00 64.24 H new ATOM 0 HA THR A 65 17.738 -7.529 16.237 1.00 62.45 H new ATOM 0 HB THR A 65 17.803 -8.442 18.704 1.00 0.54 H new ATOM 0 HG1 THR A 65 16.472 -10.365 18.928 1.00 14.20 H new ATOM 0 HG21 THR A 65 15.355 -8.241 18.910 1.00 4.51 H new ATOM 0 HG22 THR A 65 16.029 -6.983 17.847 1.00 4.51 H new ATOM 0 HG23 THR A 65 15.197 -8.391 17.144 1.00 4.51 H new ATOM 1026 N ASP A 66 19.767 -10.033 16.952 1.00 71.12 N ATOM 1027 CA ASP A 66 21.169 -10.414 17.083 1.00 34.33 C ATOM 1028 C ASP A 66 21.301 -11.864 16.669 1.00 13.42 C ATOM 1029 O ASP A 66 20.519 -12.692 17.126 1.00 3.12 O ATOM 1030 CB ASP A 66 21.637 -10.264 18.541 1.00 63.41 C ATOM 1031 CG ASP A 66 23.148 -10.313 18.702 1.00 40.15 C ATOM 1032 OD1 ASP A 66 23.726 -9.313 19.187 1.00 25.14 O ATOM 1033 OD2 ASP A 66 23.767 -11.347 18.365 1.00 24.04 O1- ATOM 0 H ASP A 66 19.115 -10.813 17.039 1.00 71.12 H new ATOM 0 HA ASP A 66 21.782 -9.769 16.454 1.00 34.33 H new ATOM 0 HB2 ASP A 66 21.268 -9.318 18.937 1.00 63.41 H new ATOM 0 HB3 ASP A 66 21.190 -11.057 19.141 1.00 63.41 H new ATOM 1038 N MET A 67 22.236 -12.195 15.791 1.00 22.12 N ATOM 1039 CA MET A 67 22.440 -13.598 15.475 1.00 54.13 C ATOM 1040 C MET A 67 23.902 -13.988 15.528 1.00 53.22 C ATOM 1041 O MET A 67 24.576 -14.087 14.502 1.00 32.02 O ATOM 1042 CB MET A 67 21.869 -13.928 14.093 1.00 11.22 C ATOM 1043 CG MET A 67 20.354 -13.964 14.054 1.00 72.34 C ATOM 1044 SD MET A 67 19.671 -15.229 15.144 1.00 2.02 S ATOM 1045 CE MET A 67 17.924 -14.902 14.970 1.00 10.45 C ATOM 0 H MET A 67 22.844 -11.539 15.301 1.00 22.12 H new ATOM 0 HA MET A 67 21.911 -14.174 16.235 1.00 54.13 H new ATOM 0 HB2 MET A 67 22.225 -13.188 13.376 1.00 11.22 H new ATOM 0 HB3 MET A 67 22.255 -14.895 13.771 1.00 11.22 H new ATOM 0 HG2 MET A 67 19.962 -12.989 14.343 1.00 72.34 H new ATOM 0 HG3 MET A 67 20.023 -14.151 13.032 1.00 72.34 H new ATOM 0 HE1 MET A 67 17.359 -15.799 15.225 1.00 10.45 H new ATOM 0 HE2 MET A 67 17.637 -14.090 15.639 1.00 10.45 H new ATOM 0 HE3 MET A 67 17.708 -14.617 13.940 1.00 10.45 H new ATOM 1055 N ASP A 68 24.377 -14.176 16.745 1.00 24.31 N ATOM 1056 CA ASP A 68 25.547 -14.983 17.035 1.00 2.01 C ATOM 1057 C ASP A 68 25.612 -15.182 18.534 1.00 63.14 C ATOM 1058 O ASP A 68 26.223 -14.383 19.245 1.00 55.15 O ATOM 1059 CB ASP A 68 26.836 -14.351 16.511 1.00 13.54 C ATOM 1060 CG ASP A 68 28.032 -15.262 16.692 1.00 11.43 C ATOM 1061 OD1 ASP A 68 29.146 -14.748 16.909 1.00 34.44 O ATOM 1062 OD2 ASP A 68 27.863 -16.501 16.616 1.00 51.53 O1- ATOM 0 H ASP A 68 23.952 -13.764 17.576 1.00 24.31 H new ATOM 0 HA ASP A 68 25.456 -15.941 16.523 1.00 2.01 H new ATOM 0 HB2 ASP A 68 26.719 -14.113 15.454 1.00 13.54 H new ATOM 0 HB3 ASP A 68 27.015 -13.410 17.031 1.00 13.54 H new ATOM 1067 N THR A 69 24.964 -16.215 19.024 1.00 35.52 N ATOM 1068 CA THR A 69 24.831 -16.400 20.456 1.00 74.33 C ATOM 1069 C THR A 69 24.763 -17.882 20.793 1.00 61.54 C ATOM 1070 O THR A 69 23.693 -18.493 20.730 1.00 13.04 O ATOM 1071 CB THR A 69 23.559 -15.700 20.984 1.00 11.41 C ATOM 1072 OG1 THR A 69 23.307 -14.492 20.248 1.00 32.14 O ATOM 1073 CG2 THR A 69 23.691 -15.356 22.458 1.00 22.51 C ATOM 0 H THR A 69 24.522 -16.938 18.457 1.00 35.52 H new ATOM 0 HA THR A 69 25.705 -15.957 20.934 1.00 74.33 H new ATOM 0 HB THR A 69 22.729 -16.394 20.853 1.00 11.41 H new ATOM 0 HG1 THR A 69 22.717 -13.908 20.770 1.00 32.14 H new ATOM 0 HG21 THR A 69 22.780 -14.865 22.800 1.00 22.51 H new ATOM 0 HG22 THR A 69 23.848 -16.269 23.032 1.00 22.51 H new ATOM 0 HG23 THR A 69 24.540 -14.687 22.601 1.00 22.51 H new ATOM 1081 N PRO A 70 25.908 -18.487 21.127 1.00 34.41 N ATOM 1082 CA PRO A 70 25.978 -19.909 21.452 1.00 42.43 C ATOM 1083 C PRO A 70 25.242 -20.243 22.746 1.00 23.34 C ATOM 1084 O PRO A 70 25.800 -20.138 23.840 1.00 64.14 O ATOM 1085 CB PRO A 70 27.480 -20.179 21.594 1.00 61.51 C ATOM 1086 CG PRO A 70 28.080 -18.850 21.906 1.00 11.35 C ATOM 1087 CD PRO A 70 27.225 -17.831 21.205 1.00 41.03 C ATOM 0 HA PRO A 70 25.500 -20.524 20.689 1.00 42.43 H new ATOM 0 HB2 PRO A 70 27.679 -20.899 22.388 1.00 61.51 H new ATOM 0 HB3 PRO A 70 27.895 -20.595 20.676 1.00 61.51 H new ATOM 0 HG2 PRO A 70 28.095 -18.672 22.981 1.00 11.35 H new ATOM 0 HG3 PRO A 70 29.112 -18.797 21.559 1.00 11.35 H new ATOM 0 HD2 PRO A 70 27.176 -16.896 21.763 1.00 41.03 H new ATOM 0 HD3 PRO A 70 27.614 -17.592 20.215 1.00 41.03 H new ATOM 1095 N SER A 71 23.979 -20.616 22.614 1.00 21.45 N ATOM 1096 CA SER A 71 23.178 -21.003 23.759 1.00 53.41 C ATOM 1097 C SER A 71 23.506 -22.438 24.158 1.00 14.12 C ATOM 1098 O SER A 71 23.293 -23.376 23.389 1.00 73.30 O ATOM 1099 CB SER A 71 21.690 -20.843 23.436 1.00 41.55 C ATOM 1100 OG SER A 71 21.424 -19.536 22.948 1.00 70.34 O ATOM 0 H SER A 71 23.487 -20.658 21.721 1.00 21.45 H new ATOM 0 HA SER A 71 23.411 -20.353 24.602 1.00 53.41 H new ATOM 0 HB2 SER A 71 21.392 -21.583 22.693 1.00 41.55 H new ATOM 0 HB3 SER A 71 21.096 -21.032 24.330 1.00 41.55 H new ATOM 0 HG SER A 71 20.469 -19.451 22.745 1.00 70.34 H new ATOM 1106 N ARG A 72 24.053 -22.591 25.354 1.00 45.03 N ATOM 1107 CA ARG A 72 24.524 -23.884 25.828 1.00 4.44 C ATOM 1108 C ARG A 72 23.377 -24.749 26.334 1.00 75.30 C ATOM 1109 O ARG A 72 22.513 -24.286 27.083 1.00 23.40 O ATOM 1110 CB ARG A 72 25.570 -23.683 26.927 1.00 34.44 C ATOM 1111 CG ARG A 72 25.146 -22.701 28.009 1.00 12.31 C ATOM 1112 CD ARG A 72 26.287 -22.401 28.968 1.00 24.33 C ATOM 1113 NE ARG A 72 27.482 -21.928 28.266 1.00 52.22 N ATOM 1114 CZ ARG A 72 28.190 -20.855 28.617 1.00 64.42 C ATOM 1115 NH1 ARG A 72 27.797 -20.084 29.625 1.00 45.44 N1+ ATOM 1116 NH2 ARG A 72 29.295 -20.549 27.948 1.00 31.31 N ATOM 0 H ARG A 72 24.183 -21.829 26.019 1.00 45.03 H new ATOM 0 HA ARG A 72 24.980 -24.408 24.988 1.00 4.44 H new ATOM 0 HB2 ARG A 72 25.787 -24.646 27.389 1.00 34.44 H new ATOM 0 HB3 ARG A 72 26.496 -23.331 26.473 1.00 34.44 H new ATOM 0 HG2 ARG A 72 24.804 -21.775 27.547 1.00 12.31 H new ATOM 0 HG3 ARG A 72 24.302 -23.111 28.563 1.00 12.31 H new ATOM 0 HD2 ARG A 72 25.967 -21.648 29.688 1.00 24.33 H new ATOM 0 HD3 ARG A 72 26.531 -23.300 29.534 1.00 24.33 H new ATOM 0 HE ARG A 72 27.794 -22.457 27.452 1.00 52.22 H new ATOM 0 HH11 ARG A 72 26.946 -20.311 30.139 1.00 45.44 H new ATOM 0 HH12 ARG A 72 28.347 -19.265 29.885 1.00 45.44 H new ATOM 0 HH21 ARG A 72 29.598 -21.134 27.169 1.00 31.31 H new ATOM 0 HH22 ARG A 72 29.841 -19.729 28.212 1.00 31.31 H new ATOM 1130 N CYS A 73 23.375 -26.004 25.915 1.00 4.41 N ATOM 1131 CA CYS A 73 22.362 -26.952 26.341 1.00 74.22 C ATOM 1132 C CYS A 73 22.722 -27.548 27.693 1.00 15.32 C ATOM 1133 O CYS A 73 23.543 -28.461 27.788 1.00 21.44 O ATOM 1134 CB CYS A 73 22.193 -28.068 25.308 1.00 72.10 C ATOM 1135 SG CYS A 73 21.622 -27.502 23.673 1.00 53.24 S ATOM 0 H CYS A 73 24.069 -26.391 25.276 1.00 4.41 H new ATOM 0 HA CYS A 73 21.418 -26.416 26.432 1.00 74.22 H new ATOM 0 HB2 CYS A 73 23.146 -28.582 25.188 1.00 72.10 H new ATOM 0 HB3 CYS A 73 21.483 -28.799 25.694 1.00 72.10 H new ATOM 1140 N VAL A 74 22.119 -27.006 28.735 1.00 70.53 N ATOM 1141 CA VAL A 74 22.300 -27.514 30.080 1.00 64.52 C ATOM 1142 C VAL A 74 21.028 -27.284 30.887 1.00 43.42 C ATOM 1143 O VAL A 74 20.620 -26.147 31.134 1.00 34.31 O ATOM 1144 CB VAL A 74 23.531 -26.882 30.781 1.00 54.13 C ATOM 1145 CG1 VAL A 74 23.469 -25.360 30.773 1.00 11.41 C ATOM 1146 CG2 VAL A 74 23.665 -27.406 32.203 1.00 43.31 C ATOM 0 H VAL A 74 21.492 -26.204 28.672 1.00 70.53 H new ATOM 0 HA VAL A 74 22.496 -28.584 30.017 1.00 64.52 H new ATOM 0 HB VAL A 74 24.415 -27.175 30.215 1.00 54.13 H new ATOM 0 HG11 VAL A 74 24.350 -24.957 31.274 1.00 11.41 H new ATOM 0 HG12 VAL A 74 23.441 -25.002 29.744 1.00 11.41 H new ATOM 0 HG13 VAL A 74 22.572 -25.030 31.296 1.00 11.41 H new ATOM 0 HG21 VAL A 74 24.534 -26.951 32.678 1.00 43.31 H new ATOM 0 HG22 VAL A 74 22.768 -27.154 32.770 1.00 43.31 H new ATOM 0 HG23 VAL A 74 23.788 -28.489 32.182 1.00 43.31 H new ATOM 1156 N ARG A 75 20.386 -28.372 31.269 1.00 64.45 N ATOM 1157 CA ARG A 75 19.092 -28.301 31.914 1.00 54.13 C ATOM 1158 C ARG A 75 19.114 -29.133 33.191 1.00 45.21 C ATOM 1159 O ARG A 75 19.466 -28.578 34.253 1.00 37.22 O ATOM 1160 CB ARG A 75 18.017 -28.803 30.940 1.00 55.34 C ATOM 1161 CG ARG A 75 16.616 -28.258 31.188 1.00 43.51 C ATOM 1162 CD ARG A 75 15.978 -28.839 32.439 1.00 51.22 C ATOM 1163 NE ARG A 75 14.573 -28.463 32.549 1.00 74.41 N ATOM 1164 CZ ARG A 75 13.737 -28.941 33.467 1.00 23.14 C ATOM 1165 NH1 ARG A 75 14.166 -29.783 34.403 1.00 33.54 N1+ ATOM 1166 NH2 ARG A 75 12.467 -28.560 33.452 1.00 4.05 N ATOM 1167 OXT ARG A 75 18.796 -30.338 33.122 1.00 37.22 O ATOM 0 H ARG A 75 20.743 -29.319 31.142 1.00 64.45 H new ATOM 0 HA ARG A 75 18.860 -27.271 32.185 1.00 54.13 H new ATOM 0 HB2 ARG A 75 18.317 -28.542 29.925 1.00 55.34 H new ATOM 0 HB3 ARG A 75 17.981 -29.891 30.992 1.00 55.34 H new ATOM 0 HG2 ARG A 75 16.663 -27.173 31.278 1.00 43.51 H new ATOM 0 HG3 ARG A 75 15.986 -28.479 30.327 1.00 43.51 H new ATOM 0 HD2 ARG A 75 16.064 -29.925 32.421 1.00 51.22 H new ATOM 0 HD3 ARG A 75 16.518 -28.491 33.319 1.00 51.22 H new ATOM 0 HE ARG A 75 14.207 -27.788 31.877 1.00 74.41 H new ATOM 0 HH11 ARG A 75 15.145 -30.069 34.422 1.00 33.54 H new ATOM 0 HH12 ARG A 75 13.516 -30.143 35.102 1.00 33.54 H new ATOM 0 HH21 ARG A 75 12.139 -27.906 32.741 1.00 4.05 H new ATOM 0 HH22 ARG A 75 11.818 -28.921 34.151 1.00 4.05 H new