USER MOD reduce.3.24.130724 H: found=0, std=0, add=468, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 478 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 48 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 43 SER OG : rot 180:sc= 0.489 USER MOD Set 2.2: A 45 ASN :FLIP amide:sc= 0.506 F(o=0,f=0.99) USER MOD Single : A 16 GLN : amide:sc= -1.71! C(o=-1.7!,f=-2.4!) USER MOD Single : A 18 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.00044) USER MOD Single : A 21 MET CE :methyl 148:sc= -4.71! (180deg=-8.44!) USER MOD Single : A 22 GLN : amide:sc= -4.51! C(o=-4.5!,f=-6.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 25 MET CE :methyl -110:sc= -10.7! (180deg=-13.4!) USER MOD Single : A 27 SER OG : rot -26:sc= 0.167 USER MOD Single : A 33 CYS SG : rot 170:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -6.06! C(o=-6.1!,f=-7.4!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.102 F(o=-0.68,f=-0.1) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 171:sc= -1.57 USER MOD Single : A 55 THR OG1 : rot 110:sc= -3.49! USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 12:sc= -0.0341 USER MOD Single : A 59 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot -15:sc= -3.86! USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot 180:sc= -0.218 USER MOD ----------------------------------------------------------------- ATOM 30 N GLN A 16 1.376 -3.120 -5.779 1.00 0.00 N ATOM 31 CA GLN A 16 2.605 -3.895 -5.789 1.00 0.00 C ATOM 32 C GLN A 16 3.281 -3.801 -7.159 1.00 0.00 C ATOM 33 O GLN A 16 4.498 -3.644 -7.245 1.00 0.00 O ATOM 34 CB GLN A 16 2.338 -5.352 -5.407 1.00 0.00 C ATOM 35 CG GLN A 16 2.092 -5.489 -3.904 1.00 0.00 C ATOM 36 CD GLN A 16 1.045 -4.481 -3.425 1.00 0.00 C ATOM 37 OE1 GLN A 16 -0.059 -4.404 -3.939 1.00 0.00 O ATOM 38 NE2 GLN A 16 1.451 -3.717 -2.416 1.00 0.00 N ATOM 0 HA GLN A 16 3.281 -3.477 -5.043 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.472 -5.723 -5.956 1.00 0.00 H new ATOM 0 HB3 GLN A 16 3.188 -5.969 -5.698 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.757 -6.501 -3.678 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.026 -5.333 -3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 16 2.389 -3.834 -2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.825 -3.014 -2.025 1.00 0.00 H new ATOM 47 N GLU A 17 2.461 -3.903 -8.195 1.00 0.00 N ATOM 48 CA GLU A 17 2.964 -3.832 -9.556 1.00 0.00 C ATOM 49 C GLU A 17 3.712 -2.515 -9.778 1.00 0.00 C ATOM 50 O GLU A 17 4.827 -2.510 -10.298 1.00 0.00 O ATOM 51 CB GLU A 17 1.829 -3.995 -10.569 1.00 0.00 C ATOM 52 CG GLU A 17 2.344 -4.603 -11.875 1.00 0.00 C ATOM 53 CD GLU A 17 2.773 -3.511 -12.857 1.00 0.00 C ATOM 54 OE1 GLU A 17 2.175 -3.376 -13.935 1.00 0.00 O ATOM 55 OE2 GLU A 17 3.765 -2.786 -12.466 1.00 0.00 O ATOM 0 H GLU A 17 1.452 -4.034 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 17 3.663 -4.654 -9.707 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.051 -4.632 -10.149 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.374 -3.025 -10.770 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.188 -5.261 -11.666 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.565 -5.217 -12.326 1.00 0.00 H new ATOM 63 N GLN A 18 3.068 -1.430 -9.372 1.00 0.00 N ATOM 64 CA GLN A 18 3.658 -0.111 -9.520 1.00 0.00 C ATOM 65 C GLN A 18 5.025 -0.061 -8.834 1.00 0.00 C ATOM 66 O GLN A 18 5.918 0.663 -9.272 1.00 0.00 O ATOM 67 CB GLN A 18 2.728 0.971 -8.968 1.00 0.00 C ATOM 68 CG GLN A 18 3.089 2.346 -9.535 1.00 0.00 C ATOM 69 CD GLN A 18 2.044 3.392 -9.141 1.00 0.00 C ATOM 70 OE1 GLN A 18 2.340 4.397 -8.516 1.00 0.00 O ATOM 71 NE2 GLN A 18 0.810 3.101 -9.541 1.00 0.00 N ATOM 0 H GLN A 18 2.144 -1.438 -8.941 1.00 0.00 H new ATOM 0 HA GLN A 18 3.799 0.085 -10.583 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.695 0.730 -9.219 1.00 0.00 H new ATOM 0 HB3 GLN A 18 2.795 0.993 -7.880 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.069 2.649 -9.167 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.160 2.288 -10.621 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.632 2.242 -10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.042 3.737 -9.328 1.00 0.00 H new ATOM 80 N TRP A 19 5.145 -0.839 -7.768 1.00 0.00 N ATOM 81 CA TRP A 19 6.388 -0.893 -7.017 1.00 0.00 C ATOM 82 C TRP A 19 7.428 -1.617 -7.874 1.00 0.00 C ATOM 83 O TRP A 19 8.556 -1.148 -8.017 1.00 0.00 O ATOM 84 CB TRP A 19 6.176 -1.550 -5.652 1.00 0.00 C ATOM 85 CG TRP A 19 7.438 -2.185 -5.064 1.00 0.00 C ATOM 86 CD1 TRP A 19 8.450 -1.576 -4.431 1.00 0.00 C ATOM 87 CD2 TRP A 19 7.782 -3.586 -5.080 1.00 0.00 C ATOM 88 NE1 TRP A 19 9.418 -2.478 -4.040 1.00 0.00 N ATOM 89 CE2 TRP A 19 8.999 -3.740 -4.447 1.00 0.00 C ATOM 90 CE3 TRP A 19 7.089 -4.688 -5.612 1.00 0.00 C ATOM 91 CZ2 TRP A 19 9.628 -4.980 -4.286 1.00 0.00 C ATOM 92 CZ3 TRP A 19 7.732 -5.920 -5.443 1.00 0.00 C ATOM 93 CH2 TRP A 19 8.956 -6.092 -4.808 1.00 0.00 C ATOM 0 H TRP A 19 4.402 -1.437 -7.407 1.00 0.00 H new ATOM 0 HA TRP A 19 6.753 0.112 -6.803 1.00 0.00 H new ATOM 0 HB2 TRP A 19 5.800 -0.802 -4.955 1.00 0.00 H new ATOM 0 HB3 TRP A 19 5.406 -2.316 -5.744 1.00 0.00 H new ATOM 0 HD1 TRP A 19 8.501 -0.513 -4.250 1.00 0.00 H new ATOM 0 HE1 TRP A 19 10.282 -2.259 -3.544 1.00 0.00 H new ATOM 0 HE3 TRP A 19 6.136 -4.592 -6.111 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 10.581 -5.074 -3.786 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 7.242 -6.799 -5.834 1.00 0.00 H new ATOM 0 HH2 TRP A 19 9.387 -7.078 -4.718 1.00 0.00 H new ATOM 104 N ALA A 20 7.011 -2.750 -8.422 1.00 0.00 N ATOM 105 CA ALA A 20 7.893 -3.543 -9.261 1.00 0.00 C ATOM 106 C ALA A 20 8.400 -2.682 -10.419 1.00 0.00 C ATOM 107 O ALA A 20 9.503 -2.897 -10.921 1.00 0.00 O ATOM 108 CB ALA A 20 7.150 -4.791 -9.745 1.00 0.00 C ATOM 0 H ALA A 20 6.075 -3.137 -8.301 1.00 0.00 H new ATOM 0 HA ALA A 20 8.762 -3.878 -8.695 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.811 -5.387 -10.375 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.836 -5.384 -8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.273 -4.492 -10.320 1.00 0.00 H new ATOM 114 N MET A 21 7.572 -1.725 -10.810 1.00 0.00 N ATOM 115 CA MET A 21 7.923 -0.830 -11.900 1.00 0.00 C ATOM 116 C MET A 21 9.257 -0.132 -11.628 1.00 0.00 C ATOM 117 O MET A 21 9.891 0.383 -12.547 1.00 0.00 O ATOM 118 CB MET A 21 6.823 0.220 -12.073 1.00 0.00 C ATOM 119 CG MET A 21 6.501 0.437 -13.552 1.00 0.00 C ATOM 120 SD MET A 21 5.726 2.029 -13.781 1.00 0.00 S ATOM 121 CE MET A 21 4.092 1.510 -14.278 1.00 0.00 C ATOM 0 H MET A 21 6.659 -1.549 -10.392 1.00 0.00 H new ATOM 0 HA MET A 21 8.022 -1.419 -12.812 1.00 0.00 H new ATOM 0 HB2 MET A 21 5.925 -0.099 -11.544 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.140 1.161 -11.624 1.00 0.00 H new ATOM 0 HG2 MET A 21 7.415 0.380 -14.144 1.00 0.00 H new ATOM 0 HG3 MET A 21 5.840 -0.353 -13.909 1.00 0.00 H new ATOM 0 HE1 MET A 21 3.358 2.236 -13.929 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.047 1.442 -15.365 1.00 0.00 H new ATOM 0 HE3 MET A 21 3.872 0.535 -13.844 1.00 0.00 H new ATOM 131 N GLN A 22 9.644 -0.138 -10.360 1.00 0.00 N ATOM 132 CA GLN A 22 10.891 0.488 -9.956 1.00 0.00 C ATOM 133 C GLN A 22 11.968 0.262 -11.019 1.00 0.00 C ATOM 134 O GLN A 22 12.451 1.214 -11.631 1.00 0.00 O ATOM 135 CB GLN A 22 11.349 -0.033 -8.592 1.00 0.00 C ATOM 136 CG GLN A 22 11.225 -1.556 -8.517 1.00 0.00 C ATOM 137 CD GLN A 22 10.832 -2.005 -7.109 1.00 0.00 C ATOM 138 OE1 GLN A 22 10.093 -2.957 -6.916 1.00 0.00 O ATOM 139 NE2 GLN A 22 11.366 -1.270 -6.138 1.00 0.00 N ATOM 0 H GLN A 22 9.116 -0.566 -9.600 1.00 0.00 H new ATOM 0 HA GLN A 22 10.722 1.561 -9.861 1.00 0.00 H new ATOM 0 HB2 GLN A 22 12.384 0.260 -8.415 1.00 0.00 H new ATOM 0 HB3 GLN A 22 10.750 0.423 -7.804 1.00 0.00 H new ATOM 0 HG2 GLN A 22 10.479 -1.899 -9.234 1.00 0.00 H new ATOM 0 HG3 GLN A 22 12.172 -2.016 -8.798 1.00 0.00 H new ATOM 0 HE21 GLN A 22 11.977 -0.486 -6.369 1.00 0.00 H new ATOM 0 HE22 GLN A 22 11.165 -1.490 -5.163 1.00 0.00 H new ATOM 148 N THR A 23 12.312 -1.003 -11.207 1.00 0.00 N ATOM 149 CA THR A 23 13.323 -1.366 -12.186 1.00 0.00 C ATOM 150 C THR A 23 12.732 -1.341 -13.597 1.00 0.00 C ATOM 151 O THR A 23 13.208 -0.605 -14.460 1.00 0.00 O ATOM 152 CB THR A 23 13.895 -2.729 -11.791 1.00 0.00 C ATOM 153 OG1 THR A 23 13.934 -2.690 -10.367 1.00 0.00 O ATOM 154 CG2 THR A 23 15.361 -2.889 -12.200 1.00 0.00 C ATOM 0 H THR A 23 11.909 -1.790 -10.698 1.00 0.00 H new ATOM 0 HA THR A 23 14.140 -0.645 -12.197 1.00 0.00 H new ATOM 0 HB THR A 23 13.301 -3.519 -12.251 1.00 0.00 H new ATOM 0 HG1 THR A 23 14.291 -3.537 -10.026 1.00 0.00 H new ATOM 0 HG21 THR A 23 15.718 -3.873 -11.897 1.00 0.00 H new ATOM 0 HG22 THR A 23 15.450 -2.788 -13.282 1.00 0.00 H new ATOM 0 HG23 THR A 23 15.961 -2.120 -11.713 1.00 0.00 H new ATOM 162 N LEU A 24 11.703 -2.154 -13.788 1.00 0.00 N ATOM 163 CA LEU A 24 11.043 -2.234 -15.079 1.00 0.00 C ATOM 164 C LEU A 24 11.054 -0.854 -15.740 1.00 0.00 C ATOM 165 O LEU A 24 11.685 -0.663 -16.778 1.00 0.00 O ATOM 166 CB LEU A 24 9.643 -2.832 -14.929 1.00 0.00 C ATOM 167 CG LEU A 24 8.796 -2.886 -16.202 1.00 0.00 C ATOM 168 CD1 LEU A 24 7.867 -4.103 -16.192 1.00 0.00 C ATOM 169 CD2 LEU A 24 8.026 -1.580 -16.405 1.00 0.00 C ATOM 0 H LEU A 24 11.311 -2.763 -13.070 1.00 0.00 H new ATOM 0 HA LEU A 24 11.584 -2.910 -15.741 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.742 -3.845 -14.539 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.101 -2.254 -14.180 1.00 0.00 H new ATOM 0 HG LEU A 24 9.467 -3.000 -17.053 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.276 -4.117 -17.108 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.462 -5.014 -16.129 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.201 -4.045 -15.331 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.432 -1.646 -17.317 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.366 -1.410 -15.554 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.730 -0.752 -16.489 1.00 0.00 H new ATOM 181 N MET A 25 10.348 0.074 -15.110 1.00 0.00 N ATOM 182 CA MET A 25 10.268 1.431 -15.623 1.00 0.00 C ATOM 183 C MET A 25 11.581 2.182 -15.392 1.00 0.00 C ATOM 184 O MET A 25 11.963 3.034 -16.193 1.00 0.00 O ATOM 185 CB MET A 25 9.125 2.174 -14.928 1.00 0.00 C ATOM 186 CG MET A 25 9.457 3.658 -14.763 1.00 0.00 C ATOM 187 SD MET A 25 8.037 4.533 -14.126 1.00 0.00 S ATOM 188 CE MET A 25 7.039 4.621 -15.603 1.00 0.00 C ATOM 0 H MET A 25 9.826 -0.088 -14.249 1.00 0.00 H new ATOM 0 HA MET A 25 10.082 1.384 -16.696 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.209 2.065 -15.509 1.00 0.00 H new ATOM 0 HB3 MET A 25 8.938 1.729 -13.951 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.302 3.777 -14.085 1.00 0.00 H new ATOM 0 HG3 MET A 25 9.755 4.081 -15.722 1.00 0.00 H new ATOM 0 HE1 MET A 25 7.001 5.652 -15.956 1.00 0.00 H new ATOM 0 HE2 MET A 25 7.476 3.989 -16.376 1.00 0.00 H new ATOM 0 HE3 MET A 25 6.029 4.276 -15.381 1.00 0.00 H new ATOM 198 N GLY A 26 12.235 1.840 -14.292 1.00 0.00 N ATOM 199 CA GLY A 26 13.497 2.472 -13.944 1.00 0.00 C ATOM 200 C GLY A 26 14.512 2.329 -15.080 1.00 0.00 C ATOM 201 O GLY A 26 15.516 3.039 -15.113 1.00 0.00 O ATOM 0 H GLY A 26 11.915 1.133 -13.630 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.332 3.528 -13.729 1.00 0.00 H new ATOM 0 HA3 GLY A 26 13.896 2.020 -13.036 1.00 0.00 H new ATOM 205 N SER A 27 14.216 1.406 -15.984 1.00 0.00 N ATOM 206 CA SER A 27 15.090 1.162 -17.118 1.00 0.00 C ATOM 207 C SER A 27 15.178 2.415 -17.991 1.00 0.00 C ATOM 208 O SER A 27 16.035 2.506 -18.869 1.00 0.00 O ATOM 209 CB SER A 27 14.600 -0.028 -17.945 1.00 0.00 C ATOM 210 OG SER A 27 15.501 -0.354 -18.999 1.00 0.00 O ATOM 0 H SER A 27 13.383 0.818 -15.954 1.00 0.00 H new ATOM 0 HA SER A 27 16.083 0.922 -16.738 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.474 -0.894 -17.295 1.00 0.00 H new ATOM 0 HB3 SER A 27 13.620 0.201 -18.364 1.00 0.00 H new ATOM 0 HG SER A 27 16.008 0.445 -19.255 1.00 0.00 H new ATOM 216 N GLY A 28 14.279 3.350 -17.720 1.00 0.00 N ATOM 217 CA GLY A 28 14.244 4.594 -18.470 1.00 0.00 C ATOM 218 C GLY A 28 13.341 4.468 -19.699 1.00 0.00 C ATOM 219 O GLY A 28 13.469 5.238 -20.650 1.00 0.00 O ATOM 0 H GLY A 28 13.569 3.271 -16.992 1.00 0.00 H new ATOM 0 HA2 GLY A 28 13.883 5.399 -17.830 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.253 4.863 -18.782 1.00 0.00 H new ATOM 223 N VAL A 29 12.448 3.491 -19.640 1.00 0.00 N ATOM 224 CA VAL A 29 11.524 3.254 -20.736 1.00 0.00 C ATOM 225 C VAL A 29 10.462 4.355 -20.748 1.00 0.00 C ATOM 226 O VAL A 29 10.152 4.912 -21.801 1.00 0.00 O ATOM 227 CB VAL A 29 10.928 1.849 -20.624 1.00 0.00 C ATOM 228 CG1 VAL A 29 9.656 1.725 -21.464 1.00 0.00 C ATOM 229 CG2 VAL A 29 11.953 0.785 -21.020 1.00 0.00 C ATOM 0 H VAL A 29 12.345 2.854 -18.850 1.00 0.00 H new ATOM 0 HA VAL A 29 12.046 3.295 -21.692 1.00 0.00 H new ATOM 0 HB VAL A 29 10.658 1.682 -19.581 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.253 0.717 -21.367 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.918 2.447 -21.115 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.890 1.923 -22.510 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.504 -0.204 -20.931 1.00 0.00 H new ATOM 0 HG22 VAL A 29 12.268 0.949 -22.050 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.819 0.850 -20.361 1.00 0.00 H new ATOM 239 N LEU A 30 9.932 4.636 -19.567 1.00 0.00 N ATOM 240 CA LEU A 30 8.911 5.660 -19.428 1.00 0.00 C ATOM 241 C LEU A 30 9.558 6.955 -18.931 1.00 0.00 C ATOM 242 O LEU A 30 10.762 6.997 -18.684 1.00 0.00 O ATOM 243 CB LEU A 30 7.770 5.162 -18.540 1.00 0.00 C ATOM 244 CG LEU A 30 6.707 4.305 -19.231 1.00 0.00 C ATOM 245 CD1 LEU A 30 5.876 3.531 -18.206 1.00 0.00 C ATOM 246 CD2 LEU A 30 5.832 5.155 -20.154 1.00 0.00 C ATOM 0 H LEU A 30 10.191 4.172 -18.697 1.00 0.00 H new ATOM 0 HA LEU A 30 8.458 5.880 -20.395 1.00 0.00 H new ATOM 0 HB2 LEU A 30 8.199 4.584 -17.722 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.278 6.027 -18.095 1.00 0.00 H new ATOM 0 HG LEU A 30 7.214 3.570 -19.856 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.128 2.930 -18.723 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.529 2.878 -17.627 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.378 4.233 -17.537 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.085 4.521 -20.632 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.332 5.928 -19.571 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.455 5.622 -20.917 1.00 0.00 H new ATOM 258 N ALA A 31 8.729 7.980 -18.800 1.00 0.00 N ATOM 259 CA ALA A 31 9.204 9.273 -18.337 1.00 0.00 C ATOM 260 C ALA A 31 8.620 9.560 -16.952 1.00 0.00 C ATOM 261 O ALA A 31 7.444 9.301 -16.705 1.00 0.00 O ATOM 262 CB ALA A 31 8.835 10.349 -19.360 1.00 0.00 C ATOM 0 H ALA A 31 7.731 7.941 -19.006 1.00 0.00 H new ATOM 0 HA ALA A 31 10.290 9.272 -18.243 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.191 11.319 -19.013 1.00 0.00 H new ATOM 0 HB2 ALA A 31 9.298 10.114 -20.318 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.752 10.382 -19.479 1.00 0.00 H new ATOM 268 N ARG A 32 9.470 10.091 -16.086 1.00 0.00 N ATOM 269 CA ARG A 32 9.053 10.417 -14.732 1.00 0.00 C ATOM 270 C ARG A 32 9.351 11.885 -14.424 1.00 0.00 C ATOM 271 O ARG A 32 10.458 12.362 -14.666 1.00 0.00 O ATOM 272 CB ARG A 32 9.767 9.532 -13.708 1.00 0.00 C ATOM 273 CG ARG A 32 11.279 9.769 -13.739 1.00 0.00 C ATOM 274 CD ARG A 32 11.685 10.852 -12.737 1.00 0.00 C ATOM 275 NE ARG A 32 12.058 10.232 -11.446 1.00 0.00 N ATOM 276 CZ ARG A 32 13.212 9.588 -11.227 1.00 0.00 C ATOM 277 NH1 ARG A 32 14.114 9.476 -12.212 1.00 0.00 N ATOM 278 NH2 ARG A 32 13.466 9.057 -10.024 1.00 0.00 N ATOM 0 H ARG A 32 10.445 10.304 -16.295 1.00 0.00 H new ATOM 0 HA ARG A 32 7.980 10.239 -14.663 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.383 9.742 -12.710 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.555 8.484 -13.917 1.00 0.00 H new ATOM 0 HG2 ARG A 32 11.801 8.841 -13.508 1.00 0.00 H new ATOM 0 HG3 ARG A 32 11.584 10.065 -14.743 1.00 0.00 H new ATOM 0 HD2 ARG A 32 12.524 11.427 -13.130 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.861 11.550 -12.590 1.00 0.00 H new ATOM 0 HE ARG A 32 11.394 10.299 -10.674 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.922 9.881 -13.128 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.993 8.986 -12.045 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.780 9.143 -9.274 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.345 8.567 -9.858 1.00 0.00 H new ATOM 292 N CYS A 33 8.342 12.561 -13.893 1.00 0.00 N ATOM 293 CA CYS A 33 8.482 13.966 -13.549 1.00 0.00 C ATOM 294 C CYS A 33 9.497 14.083 -12.410 1.00 0.00 C ATOM 295 O CYS A 33 9.365 13.416 -11.385 1.00 0.00 O ATOM 296 CB CYS A 33 7.137 14.595 -13.181 1.00 0.00 C ATOM 297 SG CYS A 33 7.077 16.329 -13.763 1.00 0.00 S ATOM 0 H CYS A 33 7.425 12.162 -13.693 1.00 0.00 H new ATOM 0 HA CYS A 33 8.843 14.521 -14.415 1.00 0.00 H new ATOM 0 HB2 CYS A 33 6.324 14.024 -13.630 1.00 0.00 H new ATOM 0 HB3 CYS A 33 6.993 14.560 -12.101 1.00 0.00 H new ATOM 0 HG CYS A 33 5.866 16.786 -13.640 1.00 0.00 H new ATOM 302 N ARG A 34 10.488 14.935 -12.628 1.00 0.00 N ATOM 303 CA ARG A 34 11.525 15.148 -11.632 1.00 0.00 C ATOM 304 C ARG A 34 10.914 15.686 -10.336 1.00 0.00 C ATOM 305 O ARG A 34 11.554 15.657 -9.286 1.00 0.00 O ATOM 306 CB ARG A 34 12.580 16.133 -12.138 1.00 0.00 C ATOM 307 CG ARG A 34 12.030 17.561 -12.164 1.00 0.00 C ATOM 308 CD ARG A 34 11.116 17.774 -13.372 1.00 0.00 C ATOM 309 NE ARG A 34 11.727 17.179 -14.581 1.00 0.00 N ATOM 310 CZ ARG A 34 12.818 17.666 -15.189 1.00 0.00 C ATOM 311 NH1 ARG A 34 13.424 18.758 -14.704 1.00 0.00 N ATOM 312 NH2 ARG A 34 13.303 17.060 -16.281 1.00 0.00 N ATOM 0 H ARG A 34 10.595 15.486 -13.480 1.00 0.00 H new ATOM 0 HA ARG A 34 12.003 14.188 -11.441 1.00 0.00 H new ATOM 0 HB2 ARG A 34 13.460 16.090 -11.496 1.00 0.00 H new ATOM 0 HB3 ARG A 34 12.901 15.845 -13.139 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.477 17.758 -11.246 1.00 0.00 H new ATOM 0 HG3 ARG A 34 12.855 18.272 -12.198 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.142 17.321 -13.186 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.947 18.840 -13.527 1.00 0.00 H new ATOM 0 HE ARG A 34 11.291 16.346 -14.977 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.055 19.219 -13.872 1.00 0.00 H new ATOM 0 HH12 ARG A 34 14.254 19.128 -15.167 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.842 16.228 -16.650 1.00 0.00 H new ATOM 0 HH22 ARG A 34 14.133 17.431 -16.744 1.00 0.00 H new ATOM 326 N ILE A 35 9.684 16.163 -10.453 1.00 0.00 N ATOM 327 CA ILE A 35 8.980 16.706 -9.304 1.00 0.00 C ATOM 328 C ILE A 35 8.275 15.571 -8.559 1.00 0.00 C ATOM 329 O ILE A 35 7.923 15.715 -7.389 1.00 0.00 O ATOM 330 CB ILE A 35 8.041 17.835 -9.735 1.00 0.00 C ATOM 331 CG1 ILE A 35 8.831 19.024 -10.288 1.00 0.00 C ATOM 332 CG2 ILE A 35 7.115 18.245 -8.589 1.00 0.00 C ATOM 333 CD1 ILE A 35 8.692 19.114 -11.809 1.00 0.00 C ATOM 0 H ILE A 35 9.157 16.185 -11.326 1.00 0.00 H new ATOM 0 HA ILE A 35 9.684 17.157 -8.605 1.00 0.00 H new ATOM 0 HB ILE A 35 7.409 17.465 -10.542 1.00 0.00 H new ATOM 0 HG12 ILE A 35 8.474 19.947 -9.831 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.883 18.923 -10.021 1.00 0.00 H new ATOM 0 HG21 ILE A 35 6.458 19.049 -8.922 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.514 17.389 -8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 35 7.712 18.590 -7.745 1.00 0.00 H new ATOM 0 HD11 ILE A 35 9.263 19.967 -12.177 1.00 0.00 H new ATOM 0 HD12 ILE A 35 9.073 18.200 -12.264 1.00 0.00 H new ATOM 0 HD13 ILE A 35 7.642 19.240 -12.072 1.00 0.00 H new ATOM 345 N HIS A 36 8.090 14.467 -9.268 1.00 0.00 N ATOM 346 CA HIS A 36 7.434 13.307 -8.689 1.00 0.00 C ATOM 347 C HIS A 36 7.794 12.057 -9.494 1.00 0.00 C ATOM 348 O HIS A 36 7.462 11.958 -10.674 1.00 0.00 O ATOM 349 CB HIS A 36 5.924 13.532 -8.588 1.00 0.00 C ATOM 350 CG HIS A 36 5.348 14.352 -9.717 1.00 0.00 C ATOM 351 ND1 HIS A 36 5.132 13.837 -10.983 1.00 0.00 N ATOM 352 CD2 HIS A 36 4.945 15.654 -9.757 1.00 0.00 C ATOM 353 CE1 HIS A 36 4.623 14.795 -11.744 1.00 0.00 C ATOM 354 NE2 HIS A 36 4.508 15.921 -10.982 1.00 0.00 N ATOM 0 H HIS A 36 8.383 14.351 -10.238 1.00 0.00 H new ATOM 0 HA HIS A 36 7.790 13.155 -7.670 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.424 12.564 -8.564 1.00 0.00 H new ATOM 0 HB3 HIS A 36 5.703 14.028 -7.643 1.00 0.00 H new ATOM 0 HD2 HIS A 36 4.976 16.350 -8.932 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.348 14.701 -12.784 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.146 16.820 -11.301 1.00 0.00 H new ATOM 362 N ASN A 37 8.470 11.135 -8.824 1.00 0.00 N ATOM 363 CA ASN A 37 8.879 9.896 -9.463 1.00 0.00 C ATOM 364 C ASN A 37 7.817 8.824 -9.213 1.00 0.00 C ATOM 365 O ASN A 37 7.879 7.738 -9.788 1.00 0.00 O ATOM 366 CB ASN A 37 10.204 9.392 -8.888 1.00 0.00 C ATOM 367 CG ASN A 37 9.986 8.678 -7.552 1.00 0.00 C ATOM 368 OD1 ASN A 37 9.783 7.369 -7.665 1.00 0.00 O flip ATOM 369 ND2 ASN A 37 10.002 9.277 -6.489 1.00 0.00 N flip ATOM 0 H ASN A 37 8.745 11.221 -7.845 1.00 0.00 H new ATOM 0 HA ASN A 37 8.998 10.089 -10.529 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.676 8.711 -9.596 1.00 0.00 H new ATOM 0 HB3 ASN A 37 10.887 10.230 -8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 37 10.164 10.284 -6.473 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.854 8.771 -5.616 1.00 0.00 H new ATOM 376 N ASP A 38 6.867 9.165 -8.356 1.00 0.00 N ATOM 377 CA ASP A 38 5.793 8.245 -8.023 1.00 0.00 C ATOM 378 C ASP A 38 4.725 8.298 -9.117 1.00 0.00 C ATOM 379 O ASP A 38 3.690 7.641 -9.012 1.00 0.00 O ATOM 380 CB ASP A 38 5.131 8.628 -6.698 1.00 0.00 C ATOM 381 CG ASP A 38 6.068 8.650 -5.489 1.00 0.00 C ATOM 382 OD1 ASP A 38 6.463 9.722 -5.007 1.00 0.00 O ATOM 383 OD2 ASP A 38 6.398 7.489 -5.034 1.00 0.00 O ATOM 0 H ASP A 38 6.818 10.067 -7.881 1.00 0.00 H new ATOM 0 HA ASP A 38 6.219 7.245 -7.938 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.679 9.614 -6.807 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.321 7.927 -6.498 1.00 0.00 H new ATOM 389 N VAL A 39 5.013 9.085 -10.144 1.00 0.00 N ATOM 390 CA VAL A 39 4.090 9.232 -11.256 1.00 0.00 C ATOM 391 C VAL A 39 4.675 8.544 -12.492 1.00 0.00 C ATOM 392 O VAL A 39 5.889 8.381 -12.600 1.00 0.00 O ATOM 393 CB VAL A 39 3.779 10.712 -11.487 1.00 0.00 C ATOM 394 CG1 VAL A 39 2.654 10.883 -12.509 1.00 0.00 C ATOM 395 CG2 VAL A 39 3.434 11.411 -10.170 1.00 0.00 C ATOM 0 H VAL A 39 5.873 9.627 -10.229 1.00 0.00 H new ATOM 0 HA VAL A 39 3.141 8.746 -11.031 1.00 0.00 H new ATOM 0 HB VAL A 39 4.674 11.183 -11.893 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.453 11.944 -12.655 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.953 10.437 -13.457 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.753 10.390 -12.144 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.217 12.462 -10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 39 2.560 10.936 -9.724 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.278 11.334 -9.485 1.00 0.00 H new ATOM 405 N ILE A 40 3.783 8.160 -13.393 1.00 0.00 N ATOM 406 CA ILE A 40 4.196 7.494 -14.617 1.00 0.00 C ATOM 407 C ILE A 40 3.647 8.263 -15.821 1.00 0.00 C ATOM 408 O ILE A 40 2.434 8.342 -16.011 1.00 0.00 O ATOM 409 CB ILE A 40 3.786 6.020 -14.590 1.00 0.00 C ATOM 410 CG1 ILE A 40 3.581 5.482 -16.007 1.00 0.00 C ATOM 411 CG2 ILE A 40 2.549 5.811 -13.713 1.00 0.00 C ATOM 412 CD1 ILE A 40 3.475 3.956 -16.004 1.00 0.00 C ATOM 0 H ILE A 40 2.777 8.297 -13.300 1.00 0.00 H new ATOM 0 HA ILE A 40 5.282 7.497 -14.704 1.00 0.00 H new ATOM 0 HB ILE A 40 4.599 5.448 -14.143 1.00 0.00 H new ATOM 0 HG12 ILE A 40 2.676 5.912 -16.436 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.412 5.791 -16.641 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.279 4.755 -13.711 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.767 6.132 -12.694 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.719 6.397 -14.108 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.330 3.599 -17.024 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.391 3.528 -15.597 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.628 3.651 -15.389 1.00 0.00 H new ATOM 424 N LEU A 41 4.566 8.810 -16.603 1.00 0.00 N ATOM 425 CA LEU A 41 4.189 9.570 -17.782 1.00 0.00 C ATOM 426 C LEU A 41 4.661 8.827 -19.034 1.00 0.00 C ATOM 427 O LEU A 41 5.757 8.270 -19.053 1.00 0.00 O ATOM 428 CB LEU A 41 4.712 11.004 -17.685 1.00 0.00 C ATOM 429 CG LEU A 41 4.207 11.823 -16.496 1.00 0.00 C ATOM 430 CD1 LEU A 41 5.210 12.914 -16.115 1.00 0.00 C ATOM 431 CD2 LEU A 41 2.816 12.397 -16.776 1.00 0.00 C ATOM 0 H LEU A 41 5.571 8.742 -16.443 1.00 0.00 H new ATOM 0 HA LEU A 41 3.104 9.655 -17.850 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.801 10.970 -17.641 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.446 11.530 -18.602 1.00 0.00 H new ATOM 0 HG LEU A 41 4.114 11.157 -15.638 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.826 13.481 -15.267 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.161 12.455 -15.844 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.358 13.584 -16.962 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.481 12.975 -15.915 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.859 13.044 -17.652 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.116 11.582 -16.961 1.00 0.00 H new ATOM 443 N ASP A 42 3.809 8.843 -20.049 1.00 0.00 N ATOM 444 CA ASP A 42 4.124 8.178 -21.301 1.00 0.00 C ATOM 445 C ASP A 42 5.406 8.777 -21.884 1.00 0.00 C ATOM 446 O ASP A 42 5.513 9.993 -22.037 1.00 0.00 O ATOM 447 CB ASP A 42 3.004 8.371 -22.325 1.00 0.00 C ATOM 448 CG ASP A 42 3.183 9.569 -23.261 1.00 0.00 C ATOM 449 OD1 ASP A 42 2.852 10.710 -22.907 1.00 0.00 O ATOM 450 OD2 ASP A 42 3.693 9.290 -24.412 1.00 0.00 O ATOM 0 H ASP A 42 2.901 9.306 -20.029 1.00 0.00 H new ATOM 0 HA ASP A 42 4.245 7.114 -21.096 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.924 7.467 -22.928 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.060 8.483 -21.792 1.00 0.00 H new ATOM 456 N SER A 43 6.346 7.896 -22.192 1.00 0.00 N ATOM 457 CA SER A 43 7.616 8.323 -22.754 1.00 0.00 C ATOM 458 C SER A 43 7.544 8.308 -24.283 1.00 0.00 C ATOM 459 O SER A 43 7.854 9.306 -24.932 1.00 0.00 O ATOM 460 CB SER A 43 8.761 7.432 -22.268 1.00 0.00 C ATOM 461 OG SER A 43 9.954 7.638 -23.020 1.00 0.00 O ATOM 0 H SER A 43 6.254 6.888 -22.063 1.00 0.00 H new ATOM 0 HA SER A 43 7.814 9.340 -22.416 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.957 7.635 -21.215 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.463 6.386 -22.341 1.00 0.00 H new ATOM 0 HG SER A 43 10.661 7.052 -22.678 1.00 0.00 H new ATOM 467 N GLY A 44 7.133 7.165 -24.812 1.00 0.00 N ATOM 468 CA GLY A 44 7.016 7.007 -26.252 1.00 0.00 C ATOM 469 C GLY A 44 8.201 6.221 -26.816 1.00 0.00 C ATOM 470 O GLY A 44 8.241 5.921 -28.008 1.00 0.00 O ATOM 0 H GLY A 44 6.877 6.340 -24.270 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.086 6.491 -26.490 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.967 7.987 -26.726 1.00 0.00 H new ATOM 474 N ASN A 45 9.137 5.909 -25.931 1.00 0.00 N ATOM 475 CA ASN A 45 10.320 5.163 -26.326 1.00 0.00 C ATOM 476 C ASN A 45 9.985 3.670 -26.370 1.00 0.00 C ATOM 477 O ASN A 45 8.941 3.250 -25.874 1.00 0.00 O ATOM 478 CB ASN A 45 11.457 5.362 -25.322 1.00 0.00 C ATOM 479 CG ASN A 45 12.285 6.601 -25.671 1.00 0.00 C ATOM 480 OD1 ASN A 45 13.124 6.422 -26.687 1.00 0.00 O flip ATOM 481 ND2 ASN A 45 12.170 7.649 -25.057 1.00 0.00 N flip ATOM 0 H ASN A 45 9.100 6.159 -24.943 1.00 0.00 H new ATOM 0 HA ASN A 45 10.635 5.524 -27.305 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.046 5.466 -24.318 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.099 4.481 -25.315 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.506 7.718 -24.286 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.738 8.456 -25.315 1.00 0.00 H new ATOM 488 N ASP A 46 10.891 2.911 -26.968 1.00 0.00 N ATOM 489 CA ASP A 46 10.705 1.474 -27.084 1.00 0.00 C ATOM 490 C ASP A 46 10.389 0.893 -25.704 1.00 0.00 C ATOM 491 O ASP A 46 11.260 0.829 -24.839 1.00 0.00 O ATOM 492 CB ASP A 46 11.974 0.795 -27.604 1.00 0.00 C ATOM 493 CG ASP A 46 12.122 0.781 -29.126 1.00 0.00 C ATOM 494 OD1 ASP A 46 11.208 1.183 -29.861 1.00 0.00 O ATOM 495 OD2 ASP A 46 13.249 0.327 -29.560 1.00 0.00 O ATOM 0 H ASP A 46 11.756 3.264 -27.378 1.00 0.00 H new ATOM 0 HA ASP A 46 9.888 1.294 -27.783 1.00 0.00 H new ATOM 0 HB2 ASP A 46 12.840 1.299 -27.174 1.00 0.00 H new ATOM 0 HB3 ASP A 46 11.992 -0.233 -27.243 1.00 0.00 H new ATOM 501 N ALA A 47 9.139 0.484 -25.543 1.00 0.00 N ATOM 502 CA ALA A 47 8.697 -0.090 -24.283 1.00 0.00 C ATOM 503 C ALA A 47 9.223 -1.522 -24.167 1.00 0.00 C ATOM 504 O ALA A 47 9.167 -2.123 -23.095 1.00 0.00 O ATOM 505 CB ALA A 47 7.170 -0.021 -24.199 1.00 0.00 C ATOM 0 H ALA A 47 8.419 0.539 -26.263 1.00 0.00 H new ATOM 0 HA ALA A 47 9.096 0.477 -23.442 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.838 -0.451 -23.254 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.849 1.019 -24.257 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.734 -0.582 -25.026 1.00 0.00 H new ATOM 511 N SER A 48 9.723 -2.027 -25.286 1.00 0.00 N ATOM 512 CA SER A 48 10.259 -3.377 -25.323 1.00 0.00 C ATOM 513 C SER A 48 11.303 -3.556 -24.220 1.00 0.00 C ATOM 514 O SER A 48 11.461 -4.650 -23.680 1.00 0.00 O ATOM 515 CB SER A 48 10.872 -3.688 -26.690 1.00 0.00 C ATOM 516 OG SER A 48 12.160 -3.099 -26.844 1.00 0.00 O ATOM 0 H SER A 48 9.768 -1.526 -26.173 1.00 0.00 H new ATOM 0 HA SER A 48 9.439 -4.076 -25.155 1.00 0.00 H new ATOM 0 HB2 SER A 48 10.950 -4.768 -26.815 1.00 0.00 H new ATOM 0 HB3 SER A 48 10.210 -3.323 -27.476 1.00 0.00 H new ATOM 0 HG SER A 48 12.518 -3.322 -27.729 1.00 0.00 H new ATOM 522 N SER A 49 11.991 -2.464 -23.917 1.00 0.00 N ATOM 523 CA SER A 49 13.016 -2.487 -22.888 1.00 0.00 C ATOM 524 C SER A 49 12.382 -2.765 -21.523 1.00 0.00 C ATOM 525 O SER A 49 12.879 -3.592 -20.761 1.00 0.00 O ATOM 526 CB SER A 49 13.792 -1.168 -22.854 1.00 0.00 C ATOM 527 OG SER A 49 15.018 -1.251 -23.575 1.00 0.00 O ATOM 0 H SER A 49 11.858 -1.558 -24.366 1.00 0.00 H new ATOM 0 HA SER A 49 13.719 -3.286 -23.124 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.176 -0.374 -23.276 1.00 0.00 H new ATOM 0 HB3 SER A 49 13.998 -0.895 -21.819 1.00 0.00 H new ATOM 0 HG SER A 49 15.482 -0.389 -23.531 1.00 0.00 H new ATOM 533 N ALA A 50 11.294 -2.057 -21.257 1.00 0.00 N ATOM 534 CA ALA A 50 10.586 -2.218 -19.998 1.00 0.00 C ATOM 535 C ALA A 50 10.014 -3.634 -19.916 1.00 0.00 C ATOM 536 O ALA A 50 9.925 -4.210 -18.833 1.00 0.00 O ATOM 537 CB ALA A 50 9.504 -1.143 -19.880 1.00 0.00 C ATOM 0 H ALA A 50 10.886 -1.371 -21.892 1.00 0.00 H new ATOM 0 HA ALA A 50 11.266 -2.089 -19.156 1.00 0.00 H new ATOM 0 HB1 ALA A 50 8.973 -1.264 -18.936 1.00 0.00 H new ATOM 0 HB2 ALA A 50 9.966 -0.156 -19.913 1.00 0.00 H new ATOM 0 HB3 ALA A 50 8.801 -1.242 -20.707 1.00 0.00 H new ATOM 543 N TYR A 51 9.640 -4.154 -21.076 1.00 0.00 N ATOM 544 CA TYR A 51 9.078 -5.492 -21.149 1.00 0.00 C ATOM 545 C TYR A 51 10.153 -6.553 -20.903 1.00 0.00 C ATOM 546 O TYR A 51 9.930 -7.508 -20.161 1.00 0.00 O ATOM 547 CB TYR A 51 8.542 -5.647 -22.574 1.00 0.00 C ATOM 548 CG TYR A 51 7.573 -4.542 -22.999 1.00 0.00 C ATOM 549 CD1 TYR A 51 7.079 -3.660 -22.059 1.00 0.00 C ATOM 550 CD2 TYR A 51 7.194 -4.427 -24.321 1.00 0.00 C ATOM 551 CE1 TYR A 51 6.167 -2.620 -22.459 1.00 0.00 C ATOM 552 CE2 TYR A 51 6.282 -3.386 -24.720 1.00 0.00 C ATOM 553 CZ TYR A 51 5.813 -2.534 -23.769 1.00 0.00 C ATOM 554 OH TYR A 51 4.952 -1.552 -24.146 1.00 0.00 O ATOM 0 H TYR A 51 9.715 -3.673 -21.972 1.00 0.00 H new ATOM 0 HA TYR A 51 8.303 -5.624 -20.394 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.383 -5.665 -23.267 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.038 -6.610 -22.659 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.376 -3.750 -21.025 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.581 -5.117 -25.056 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.773 -1.923 -21.734 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.977 -3.284 -25.751 1.00 0.00 H new ATOM 0 HH TYR A 51 4.901 -1.519 -25.124 1.00 0.00 H new ATOM 564 N LYS A 52 11.296 -6.349 -21.541 1.00 0.00 N ATOM 565 CA LYS A 52 12.407 -7.276 -21.400 1.00 0.00 C ATOM 566 C LYS A 52 12.904 -7.254 -19.954 1.00 0.00 C ATOM 567 O LYS A 52 13.045 -8.302 -19.326 1.00 0.00 O ATOM 568 CB LYS A 52 13.496 -6.967 -22.429 1.00 0.00 C ATOM 569 CG LYS A 52 13.197 -7.649 -23.766 1.00 0.00 C ATOM 570 CD LYS A 52 14.460 -7.753 -24.623 1.00 0.00 C ATOM 571 CE LYS A 52 15.024 -6.367 -24.940 1.00 0.00 C ATOM 572 NZ LYS A 52 14.279 -5.748 -26.059 1.00 0.00 N ATOM 0 H LYS A 52 11.477 -5.556 -22.157 1.00 0.00 H new ATOM 0 HA LYS A 52 12.082 -8.295 -21.610 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.568 -5.889 -22.575 1.00 0.00 H new ATOM 0 HB3 LYS A 52 14.462 -7.303 -22.053 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.791 -8.645 -23.588 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.434 -7.085 -24.303 1.00 0.00 H new ATOM 0 HD2 LYS A 52 15.211 -8.344 -24.099 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.232 -8.277 -25.551 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.960 -5.731 -24.057 1.00 0.00 H new ATOM 0 HE3 LYS A 52 16.080 -6.448 -25.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 14.675 -4.808 -26.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.361 -6.348 -26.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.277 -5.653 -25.798 1.00 0.00 H new ATOM 586 N LEU A 53 13.155 -6.048 -19.466 1.00 0.00 N ATOM 587 CA LEU A 53 13.633 -5.876 -18.105 1.00 0.00 C ATOM 588 C LEU A 53 12.491 -6.162 -17.128 1.00 0.00 C ATOM 589 O LEU A 53 12.726 -6.615 -16.008 1.00 0.00 O ATOM 590 CB LEU A 53 14.260 -4.491 -17.928 1.00 0.00 C ATOM 591 CG LEU A 53 14.920 -4.221 -16.574 1.00 0.00 C ATOM 592 CD1 LEU A 53 13.896 -3.710 -15.559 1.00 0.00 C ATOM 593 CD2 LEU A 53 15.660 -5.461 -16.068 1.00 0.00 C ATOM 0 H LEU A 53 13.036 -5.180 -19.989 1.00 0.00 H new ATOM 0 HA LEU A 53 14.427 -6.591 -17.887 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.008 -4.350 -18.709 1.00 0.00 H new ATOM 0 HB3 LEU A 53 13.486 -3.740 -18.089 1.00 0.00 H new ATOM 0 HG LEU A 53 15.663 -3.435 -16.706 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.390 -3.526 -14.605 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.454 -2.783 -15.924 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.114 -4.457 -15.424 1.00 0.00 H new ATOM 0 HD21 LEU A 53 16.120 -5.242 -15.104 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.955 -6.285 -15.955 1.00 0.00 H new ATOM 0 HD23 LEU A 53 16.433 -5.741 -16.784 1.00 0.00 H new ATOM 605 N GLY A 54 11.279 -5.887 -17.586 1.00 0.00 N ATOM 606 CA GLY A 54 10.100 -6.110 -16.767 1.00 0.00 C ATOM 607 C GLY A 54 9.903 -7.600 -16.483 1.00 0.00 C ATOM 608 O GLY A 54 9.695 -7.995 -15.337 1.00 0.00 O ATOM 0 H GLY A 54 11.088 -5.511 -18.515 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.198 -5.567 -15.827 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.220 -5.713 -17.274 1.00 0.00 H new ATOM 612 N THR A 55 9.977 -8.387 -17.547 1.00 0.00 N ATOM 613 CA THR A 55 9.809 -9.825 -17.426 1.00 0.00 C ATOM 614 C THR A 55 10.995 -10.440 -16.680 1.00 0.00 C ATOM 615 O THR A 55 10.823 -11.371 -15.895 1.00 0.00 O ATOM 616 CB THR A 55 9.613 -10.397 -18.832 1.00 0.00 C ATOM 617 OG1 THR A 55 8.207 -10.316 -19.047 1.00 0.00 O ATOM 618 CG2 THR A 55 9.915 -11.896 -18.901 1.00 0.00 C ATOM 0 H THR A 55 10.151 -8.056 -18.496 1.00 0.00 H new ATOM 0 HA THR A 55 8.929 -10.072 -16.832 1.00 0.00 H new ATOM 0 HB THR A 55 10.255 -9.864 -19.533 1.00 0.00 H new ATOM 0 HG1 THR A 55 8.018 -9.628 -19.719 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.761 -12.252 -19.920 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.950 -12.073 -18.608 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.250 -12.433 -18.225 1.00 0.00 H new ATOM 626 N TYR A 56 12.171 -9.894 -16.951 1.00 0.00 N ATOM 627 CA TYR A 56 13.385 -10.376 -16.315 1.00 0.00 C ATOM 628 C TYR A 56 13.286 -10.268 -14.792 1.00 0.00 C ATOM 629 O TYR A 56 13.623 -11.209 -14.075 1.00 0.00 O ATOM 630 CB TYR A 56 14.510 -9.465 -16.807 1.00 0.00 C ATOM 631 CG TYR A 56 15.892 -9.833 -16.264 1.00 0.00 C ATOM 632 CD1 TYR A 56 16.584 -10.898 -16.804 1.00 0.00 C ATOM 633 CD2 TYR A 56 16.447 -9.101 -15.234 1.00 0.00 C ATOM 634 CE1 TYR A 56 17.885 -11.245 -16.292 1.00 0.00 C ATOM 635 CE2 TYR A 56 17.747 -9.448 -14.722 1.00 0.00 C ATOM 636 CZ TYR A 56 18.402 -10.503 -15.277 1.00 0.00 C ATOM 637 OH TYR A 56 19.631 -10.831 -14.794 1.00 0.00 O ATOM 0 H TYR A 56 12.309 -9.122 -17.603 1.00 0.00 H new ATOM 0 HA TYR A 56 13.558 -11.423 -16.562 1.00 0.00 H new ATOM 0 HB2 TYR A 56 14.539 -9.496 -17.896 1.00 0.00 H new ATOM 0 HB3 TYR A 56 14.282 -8.438 -16.524 1.00 0.00 H new ATOM 0 HD1 TYR A 56 16.150 -11.471 -17.610 1.00 0.00 H new ATOM 0 HD2 TYR A 56 15.906 -8.267 -14.812 1.00 0.00 H new ATOM 0 HE1 TYR A 56 18.437 -12.076 -16.705 1.00 0.00 H new ATOM 0 HE2 TYR A 56 18.192 -8.884 -13.916 1.00 0.00 H new ATOM 0 HH TYR A 56 19.874 -10.215 -14.072 1.00 0.00 H new ATOM 647 N LEU A 57 12.822 -9.111 -14.342 1.00 0.00 N ATOM 648 CA LEU A 57 12.674 -8.868 -12.917 1.00 0.00 C ATOM 649 C LEU A 57 11.438 -9.608 -12.402 1.00 0.00 C ATOM 650 O LEU A 57 11.507 -10.317 -11.400 1.00 0.00 O ATOM 651 CB LEU A 57 12.655 -7.365 -12.630 1.00 0.00 C ATOM 652 CG LEU A 57 12.269 -6.959 -11.206 1.00 0.00 C ATOM 653 CD1 LEU A 57 12.704 -5.523 -10.908 1.00 0.00 C ATOM 654 CD2 LEU A 57 10.773 -7.168 -10.962 1.00 0.00 C ATOM 0 H LEU A 57 12.544 -8.332 -14.939 1.00 0.00 H new ATOM 0 HA LEU A 57 13.531 -9.263 -12.372 1.00 0.00 H new ATOM 0 HB2 LEU A 57 13.644 -6.961 -12.846 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.959 -6.892 -13.323 1.00 0.00 H new ATOM 0 HG LEU A 57 12.802 -7.607 -10.510 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.418 -5.260 -9.890 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.786 -5.441 -11.013 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.219 -4.843 -11.608 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.526 -6.872 -9.943 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.202 -6.562 -11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.525 -8.220 -11.105 1.00 0.00 H new ATOM 666 N TYR A 58 10.336 -9.417 -13.112 1.00 0.00 N ATOM 667 CA TYR A 58 9.086 -10.058 -12.740 1.00 0.00 C ATOM 668 C TYR A 58 9.279 -11.562 -12.538 1.00 0.00 C ATOM 669 O TYR A 58 8.697 -12.150 -11.628 1.00 0.00 O ATOM 670 CB TYR A 58 8.130 -9.832 -13.913 1.00 0.00 C ATOM 671 CG TYR A 58 7.378 -8.501 -13.856 1.00 0.00 C ATOM 672 CD1 TYR A 58 6.880 -8.042 -12.654 1.00 0.00 C ATOM 673 CD2 TYR A 58 7.197 -7.760 -15.006 1.00 0.00 C ATOM 674 CE1 TYR A 58 6.172 -6.789 -12.599 1.00 0.00 C ATOM 675 CE2 TYR A 58 6.489 -6.507 -14.952 1.00 0.00 C ATOM 676 CZ TYR A 58 6.011 -6.084 -13.751 1.00 0.00 C ATOM 677 OH TYR A 58 5.343 -4.900 -13.700 1.00 0.00 O ATOM 0 H TYR A 58 10.283 -8.828 -13.943 1.00 0.00 H new ATOM 0 HA TYR A 58 8.707 -9.644 -11.806 1.00 0.00 H new ATOM 0 HB2 TYR A 58 8.696 -9.878 -14.843 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.405 -10.646 -13.940 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.021 -8.622 -11.754 1.00 0.00 H new ATOM 0 HD2 TYR A 58 7.586 -8.120 -15.947 1.00 0.00 H new ATOM 0 HE1 TYR A 58 5.778 -6.418 -11.664 1.00 0.00 H new ATOM 0 HE2 TYR A 58 6.341 -5.917 -15.844 1.00 0.00 H new ATOM 0 HH TYR A 58 5.227 -4.630 -12.765 1.00 0.00 H new ATOM 687 N GLN A 59 10.100 -12.142 -13.402 1.00 0.00 N ATOM 688 CA GLN A 59 10.378 -13.567 -13.330 1.00 0.00 C ATOM 689 C GLN A 59 11.747 -13.809 -12.692 1.00 0.00 C ATOM 690 O GLN A 59 12.760 -13.312 -13.182 1.00 0.00 O ATOM 691 CB GLN A 59 10.296 -14.212 -14.715 1.00 0.00 C ATOM 692 CG GLN A 59 10.324 -15.738 -14.611 1.00 0.00 C ATOM 693 CD GLN A 59 10.305 -16.382 -15.999 1.00 0.00 C ATOM 694 OE1 GLN A 59 9.382 -17.088 -16.372 1.00 0.00 O ATOM 695 NE2 GLN A 59 11.373 -16.101 -16.740 1.00 0.00 N ATOM 0 H GLN A 59 10.582 -11.651 -14.155 1.00 0.00 H new ATOM 0 HA GLN A 59 9.619 -14.034 -12.702 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.381 -13.895 -15.214 1.00 0.00 H new ATOM 0 HB3 GLN A 59 11.129 -13.870 -15.329 1.00 0.00 H new ATOM 0 HG2 GLN A 59 11.217 -16.053 -14.072 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.466 -16.083 -14.034 1.00 0.00 H new ATOM 0 HE21 GLN A 59 12.110 -15.503 -16.366 1.00 0.00 H new ATOM 0 HE22 GLN A 59 11.455 -16.484 -17.682 1.00 0.00 H new ATOM 856 N LEU A 70 3.317 -14.775 -18.507 1.00 0.00 N ATOM 857 CA LEU A 70 4.062 -13.607 -18.945 1.00 0.00 C ATOM 858 C LEU A 70 3.084 -12.547 -19.456 1.00 0.00 C ATOM 859 O LEU A 70 3.314 -11.351 -19.281 1.00 0.00 O ATOM 860 CB LEU A 70 5.128 -14.004 -19.968 1.00 0.00 C ATOM 861 CG LEU A 70 6.393 -13.145 -19.986 1.00 0.00 C ATOM 862 CD1 LEU A 70 6.062 -11.687 -20.312 1.00 0.00 C ATOM 863 CD2 LEU A 70 7.165 -13.277 -18.672 1.00 0.00 C ATOM 0 HA LEU A 70 4.605 -13.165 -18.109 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.417 -15.038 -19.779 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.679 -13.975 -20.961 1.00 0.00 H new ATOM 0 HG LEU A 70 7.043 -13.513 -20.780 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.979 -11.098 -20.318 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.589 -11.632 -21.292 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.382 -11.291 -19.558 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.060 -12.656 -18.712 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.534 -12.952 -17.845 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.452 -14.318 -18.522 1.00 0.00 H new ATOM 875 N THR A 71 2.015 -13.023 -20.076 1.00 0.00 N ATOM 876 CA THR A 71 1.002 -12.131 -20.613 1.00 0.00 C ATOM 877 C THR A 71 0.537 -11.144 -19.540 1.00 0.00 C ATOM 878 O THR A 71 0.239 -9.989 -19.841 1.00 0.00 O ATOM 879 CB THR A 71 -0.131 -12.989 -21.181 1.00 0.00 C ATOM 880 OG1 THR A 71 0.387 -13.475 -22.416 1.00 0.00 O ATOM 881 CG2 THR A 71 -1.348 -12.156 -21.589 1.00 0.00 C ATOM 0 H THR A 71 1.828 -14.016 -20.219 1.00 0.00 H new ATOM 0 HA THR A 71 1.403 -11.519 -21.421 1.00 0.00 H new ATOM 0 HB THR A 71 -0.431 -13.731 -20.441 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.283 -14.043 -22.851 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.122 -12.813 -21.985 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.733 -11.625 -20.719 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.056 -11.436 -22.354 1.00 0.00 H new ATOM 889 N GLU A 72 0.490 -11.635 -18.310 1.00 0.00 N ATOM 890 CA GLU A 72 0.067 -10.811 -17.191 1.00 0.00 C ATOM 891 C GLU A 72 0.991 -9.601 -17.044 1.00 0.00 C ATOM 892 O GLU A 72 0.523 -8.469 -16.927 1.00 0.00 O ATOM 893 CB GLU A 72 0.020 -11.626 -15.897 1.00 0.00 C ATOM 894 CG GLU A 72 -0.830 -10.923 -14.837 1.00 0.00 C ATOM 895 CD GLU A 72 -0.096 -9.710 -14.261 1.00 0.00 C ATOM 896 OE1 GLU A 72 1.142 -9.660 -14.298 1.00 0.00 O ATOM 897 OE2 GLU A 72 -0.859 -8.797 -13.764 1.00 0.00 O ATOM 0 H GLU A 72 0.738 -12.593 -18.064 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.942 -10.451 -17.391 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.391 -12.615 -16.101 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.032 -11.773 -15.518 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.776 -10.605 -15.276 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.069 -11.622 -14.036 1.00 0.00 H new ATOM 905 N ALA A 73 2.286 -9.880 -17.054 1.00 0.00 N ATOM 906 CA ALA A 73 3.280 -8.828 -16.924 1.00 0.00 C ATOM 907 C ALA A 73 3.122 -7.838 -18.079 1.00 0.00 C ATOM 908 O ALA A 73 3.037 -6.631 -17.859 1.00 0.00 O ATOM 909 CB ALA A 73 4.677 -9.449 -16.874 1.00 0.00 C ATOM 0 H ALA A 73 2.670 -10.820 -17.150 1.00 0.00 H new ATOM 0 HA ALA A 73 3.136 -8.276 -15.995 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.423 -8.660 -16.777 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.746 -10.121 -16.019 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.859 -10.009 -17.791 1.00 0.00 H new ATOM 915 N ARG A 74 3.088 -8.385 -19.285 1.00 0.00 N ATOM 916 CA ARG A 74 2.943 -7.564 -20.475 1.00 0.00 C ATOM 917 C ARG A 74 1.706 -6.671 -20.356 1.00 0.00 C ATOM 918 O ARG A 74 1.716 -5.528 -20.810 1.00 0.00 O ATOM 919 CB ARG A 74 2.819 -8.431 -21.730 1.00 0.00 C ATOM 920 CG ARG A 74 2.585 -7.568 -22.971 1.00 0.00 C ATOM 921 CD ARG A 74 1.089 -7.362 -23.222 1.00 0.00 C ATOM 922 NE ARG A 74 0.849 -7.086 -24.656 1.00 0.00 N ATOM 923 CZ ARG A 74 0.746 -8.035 -25.596 1.00 0.00 C ATOM 924 NH1 ARG A 74 0.860 -9.327 -25.260 1.00 0.00 N ATOM 925 NH2 ARG A 74 0.527 -7.691 -26.873 1.00 0.00 N ATOM 0 H ARG A 74 3.158 -9.387 -19.464 1.00 0.00 H new ATOM 0 HA ARG A 74 3.836 -6.944 -20.562 1.00 0.00 H new ATOM 0 HB2 ARG A 74 3.726 -9.022 -21.859 1.00 0.00 H new ATOM 0 HB3 ARG A 74 1.995 -9.134 -21.611 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.072 -6.601 -22.843 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.041 -8.043 -23.840 1.00 0.00 H new ATOM 0 HD2 ARG A 74 0.535 -8.250 -22.917 1.00 0.00 H new ATOM 0 HD3 ARG A 74 0.721 -6.533 -22.617 1.00 0.00 H new ATOM 0 HE ARG A 74 0.756 -6.113 -24.947 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.025 -9.589 -24.288 1.00 0.00 H new ATOM 0 HH12 ARG A 74 0.781 -10.049 -25.976 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.439 -6.707 -27.128 1.00 0.00 H new ATOM 0 HH22 ARG A 74 0.448 -8.413 -27.589 1.00 0.00 H new ATOM 939 N ASP A 75 0.671 -7.227 -19.743 1.00 0.00 N ATOM 940 CA ASP A 75 -0.570 -6.495 -19.559 1.00 0.00 C ATOM 941 C ASP A 75 -0.385 -5.455 -18.452 1.00 0.00 C ATOM 942 O ASP A 75 -1.014 -4.398 -18.477 1.00 0.00 O ATOM 943 CB ASP A 75 -1.705 -7.432 -19.142 1.00 0.00 C ATOM 944 CG ASP A 75 -2.991 -6.733 -18.696 1.00 0.00 C ATOM 945 OD1 ASP A 75 -3.461 -5.787 -19.345 1.00 0.00 O ATOM 946 OD2 ASP A 75 -3.522 -7.203 -17.618 1.00 0.00 O ATOM 0 H ASP A 75 0.667 -8.175 -19.368 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.824 -6.019 -20.506 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.939 -8.090 -19.979 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.352 -8.065 -18.328 1.00 0.00 H new ATOM 952 N ALA A 76 0.481 -5.791 -17.507 1.00 0.00 N ATOM 953 CA ALA A 76 0.757 -4.900 -16.393 1.00 0.00 C ATOM 954 C ALA A 76 1.477 -3.653 -16.910 1.00 0.00 C ATOM 955 O ALA A 76 1.208 -2.543 -16.456 1.00 0.00 O ATOM 956 CB ALA A 76 1.569 -5.645 -15.332 1.00 0.00 C ATOM 0 H ALA A 76 1.001 -6.668 -17.490 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.171 -4.574 -15.923 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.776 -4.976 -14.496 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.001 -6.505 -14.977 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.509 -5.985 -15.766 1.00 0.00 H new ATOM 962 N ILE A 77 2.380 -3.879 -17.853 1.00 0.00 N ATOM 963 CA ILE A 77 3.142 -2.788 -18.437 1.00 0.00 C ATOM 964 C ILE A 77 2.274 -2.057 -19.463 1.00 0.00 C ATOM 965 O ILE A 77 2.275 -0.829 -19.520 1.00 0.00 O ATOM 966 CB ILE A 77 4.465 -3.303 -19.007 1.00 0.00 C ATOM 967 CG1 ILE A 77 5.134 -4.283 -18.040 1.00 0.00 C ATOM 968 CG2 ILE A 77 5.391 -2.143 -19.378 1.00 0.00 C ATOM 969 CD1 ILE A 77 6.087 -5.221 -18.783 1.00 0.00 C ATOM 0 H ILE A 77 2.601 -4.802 -18.227 1.00 0.00 H new ATOM 0 HA ILE A 77 3.413 -2.061 -17.672 1.00 0.00 H new ATOM 0 HB ILE A 77 4.251 -3.851 -19.925 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.683 -3.730 -17.278 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.372 -4.867 -17.523 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.324 -2.537 -19.781 1.00 0.00 H new ATOM 0 HG22 ILE A 77 4.908 -1.517 -20.128 1.00 0.00 H new ATOM 0 HG23 ILE A 77 5.602 -1.547 -18.490 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.549 -5.907 -18.073 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.530 -5.790 -19.528 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.861 -4.635 -19.278 1.00 0.00 H new ATOM 981 N LYS A 78 1.553 -2.844 -20.248 1.00 0.00 N ATOM 982 CA LYS A 78 0.682 -2.288 -21.270 1.00 0.00 C ATOM 983 C LYS A 78 -0.482 -1.556 -20.598 1.00 0.00 C ATOM 984 O LYS A 78 -1.032 -0.610 -21.159 1.00 0.00 O ATOM 985 CB LYS A 78 0.240 -3.377 -22.249 1.00 0.00 C ATOM 986 CG LYS A 78 1.261 -3.549 -23.375 1.00 0.00 C ATOM 987 CD LYS A 78 0.917 -2.656 -24.569 1.00 0.00 C ATOM 988 CE LYS A 78 1.342 -1.209 -24.312 1.00 0.00 C ATOM 989 NZ LYS A 78 1.395 -0.451 -25.582 1.00 0.00 N ATOM 0 H LYS A 78 1.554 -3.863 -20.197 1.00 0.00 H new ATOM 0 HA LYS A 78 1.219 -1.553 -21.869 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.117 -4.321 -21.718 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.732 -3.120 -22.670 1.00 0.00 H new ATOM 0 HG2 LYS A 78 2.257 -3.303 -23.008 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.286 -4.592 -23.692 1.00 0.00 H new ATOM 0 HD2 LYS A 78 1.414 -3.031 -25.463 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.155 -2.695 -24.760 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.640 -0.734 -23.627 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.319 -1.191 -23.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.685 0.529 -25.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.082 -0.896 -26.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.455 -0.453 -26.027 1.00 0.00 H new ATOM 1003 N ASP A 79 -0.823 -2.022 -19.405 1.00 0.00 N ATOM 1004 CA ASP A 79 -1.911 -1.424 -18.651 1.00 0.00 C ATOM 1005 C ASP A 79 -1.438 -0.102 -18.043 1.00 0.00 C ATOM 1006 O ASP A 79 -2.098 0.926 -18.192 1.00 0.00 O ATOM 1007 CB ASP A 79 -2.356 -2.337 -17.507 1.00 0.00 C ATOM 1008 CG ASP A 79 -3.229 -1.666 -16.445 1.00 0.00 C ATOM 1009 OD1 ASP A 79 -2.834 -1.548 -15.276 1.00 0.00 O ATOM 1010 OD2 ASP A 79 -4.374 -1.247 -16.866 1.00 0.00 O ATOM 0 H ASP A 79 -0.365 -2.807 -18.942 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.747 -1.267 -19.333 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.905 -3.180 -17.927 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.469 -2.745 -17.022 1.00 0.00 H new ATOM 1016 N ALA A 80 -0.298 -0.170 -17.371 1.00 0.00 N ATOM 1017 CA ALA A 80 0.271 1.008 -16.740 1.00 0.00 C ATOM 1018 C ALA A 80 0.603 2.046 -17.814 1.00 0.00 C ATOM 1019 O ALA A 80 0.392 3.241 -17.613 1.00 0.00 O ATOM 1020 CB ALA A 80 1.498 0.606 -15.919 1.00 0.00 C ATOM 0 H ALA A 80 0.247 -1.024 -17.250 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.446 1.460 -16.054 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.925 1.490 -15.446 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.204 -0.110 -15.152 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.241 0.151 -16.574 1.00 0.00 H new ATOM 1026 N TYR A 81 1.117 1.552 -18.930 1.00 0.00 N ATOM 1027 CA TYR A 81 1.480 2.422 -20.036 1.00 0.00 C ATOM 1028 C TYR A 81 0.235 2.990 -20.719 1.00 0.00 C ATOM 1029 O TYR A 81 0.116 4.201 -20.895 1.00 0.00 O ATOM 1030 CB TYR A 81 2.238 1.543 -21.033 1.00 0.00 C ATOM 1031 CG TYR A 81 3.706 1.312 -20.668 1.00 0.00 C ATOM 1032 CD1 TYR A 81 4.052 0.983 -19.373 1.00 0.00 C ATOM 1033 CD2 TYR A 81 4.684 1.432 -21.634 1.00 0.00 C ATOM 1034 CE1 TYR A 81 5.433 0.766 -19.029 1.00 0.00 C ATOM 1035 CE2 TYR A 81 6.066 1.214 -21.291 1.00 0.00 C ATOM 1036 CZ TYR A 81 6.372 0.892 -20.005 1.00 0.00 C ATOM 1037 OH TYR A 81 7.677 0.686 -19.681 1.00 0.00 O ATOM 0 H TYR A 81 1.291 0.560 -19.093 1.00 0.00 H new ATOM 0 HA TYR A 81 2.076 3.263 -19.682 1.00 0.00 H new ATOM 0 HB2 TYR A 81 1.736 0.578 -21.106 1.00 0.00 H new ATOM 0 HB3 TYR A 81 2.188 2.004 -22.020 1.00 0.00 H new ATOM 0 HD1 TYR A 81 3.286 0.888 -18.617 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.413 1.689 -22.647 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.717 0.509 -18.019 1.00 0.00 H new ATOM 0 HE2 TYR A 81 6.841 1.304 -22.037 1.00 0.00 H new ATOM 0 HH TYR A 81 7.779 0.702 -18.706 1.00 0.00 H new ATOM 1047 N GLU A 82 -0.663 2.087 -21.086 1.00 0.00 N ATOM 1048 CA GLU A 82 -1.896 2.483 -21.746 1.00 0.00 C ATOM 1049 C GLU A 82 -2.778 3.285 -20.787 1.00 0.00 C ATOM 1050 O GLU A 82 -3.622 4.067 -21.222 1.00 0.00 O ATOM 1051 CB GLU A 82 -2.644 1.263 -22.287 1.00 0.00 C ATOM 1052 CG GLU A 82 -1.822 0.548 -23.362 1.00 0.00 C ATOM 1053 CD GLU A 82 -2.093 1.142 -24.745 1.00 0.00 C ATOM 1054 OE1 GLU A 82 -1.218 1.809 -25.316 1.00 0.00 O ATOM 1055 OE2 GLU A 82 -3.263 0.889 -25.228 1.00 0.00 O ATOM 0 H GLU A 82 -0.561 1.083 -20.939 1.00 0.00 H new ATOM 0 HA GLU A 82 -1.643 3.119 -22.594 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -2.861 0.573 -21.471 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.602 1.575 -22.704 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -0.761 0.631 -23.128 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.066 -0.514 -23.365 1.00 0.00 H new ATOM 1063 N SER A 83 -2.551 3.064 -19.501 1.00 0.00 N ATOM 1064 CA SER A 83 -3.314 3.758 -18.477 1.00 0.00 C ATOM 1065 C SER A 83 -2.787 5.184 -18.307 1.00 0.00 C ATOM 1066 O SER A 83 -3.564 6.137 -18.276 1.00 0.00 O ATOM 1067 CB SER A 83 -3.256 3.008 -17.144 1.00 0.00 C ATOM 1068 OG SER A 83 -3.775 3.788 -16.070 1.00 0.00 O ATOM 0 H SER A 83 -1.850 2.415 -19.144 1.00 0.00 H new ATOM 0 HA SER A 83 -4.356 3.799 -18.796 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.822 2.080 -17.225 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.224 2.733 -16.927 1.00 0.00 H new ATOM 0 HG SER A 83 -3.722 3.274 -15.237 1.00 0.00 H new ATOM 1074 N TYR A 84 -1.471 5.285 -18.201 1.00 0.00 N ATOM 1075 CA TYR A 84 -0.831 6.579 -18.035 1.00 0.00 C ATOM 1076 C TYR A 84 -0.392 7.151 -19.385 1.00 0.00 C ATOM 1077 O TYR A 84 0.261 8.192 -19.439 1.00 0.00 O ATOM 1078 CB TYR A 84 0.409 6.329 -17.174 1.00 0.00 C ATOM 1079 CG TYR A 84 0.124 6.288 -15.671 1.00 0.00 C ATOM 1080 CD1 TYR A 84 -0.113 7.460 -14.981 1.00 0.00 C ATOM 1081 CD2 TYR A 84 0.104 5.079 -15.005 1.00 0.00 C ATOM 1082 CE1 TYR A 84 -0.381 7.421 -13.567 1.00 0.00 C ATOM 1083 CE2 TYR A 84 -0.164 5.040 -13.591 1.00 0.00 C ATOM 1084 CZ TYR A 84 -0.393 6.213 -12.942 1.00 0.00 C ATOM 1085 OH TYR A 84 -0.647 6.176 -11.606 1.00 0.00 O ATOM 0 H TYR A 84 -0.830 4.492 -18.227 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.519 7.292 -17.581 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.862 5.384 -17.474 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.141 7.111 -17.374 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.097 8.406 -15.502 1.00 0.00 H new ATOM 0 HD2 TYR A 84 0.289 4.162 -15.545 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.568 8.330 -13.015 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -0.183 4.101 -13.058 1.00 0.00 H new ATOM 0 HH TYR A 84 -0.625 5.247 -11.294 1.00 0.00 H new ATOM 1095 N CYS A 85 -0.768 6.445 -20.441 1.00 0.00 N ATOM 1096 CA CYS A 85 -0.421 6.869 -21.787 1.00 0.00 C ATOM 1097 C CYS A 85 -1.233 8.123 -22.119 1.00 0.00 C ATOM 1098 O CYS A 85 -2.397 8.232 -21.737 1.00 0.00 O ATOM 1099 CB CYS A 85 -0.650 5.754 -22.808 1.00 0.00 C ATOM 1100 SG CYS A 85 -1.061 6.474 -24.440 1.00 0.00 S ATOM 0 H CYS A 85 -1.310 5.582 -20.392 1.00 0.00 H new ATOM 0 HA CYS A 85 0.643 7.102 -21.835 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.243 5.135 -22.889 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.459 5.104 -22.474 1.00 0.00 H new ATOM 0 HG CYS A 85 -1.252 5.518 -25.300 1.00 0.00 H new ATOM 1106 N GLY A 86 -0.586 9.037 -22.827 1.00 0.00 N ATOM 1107 CA GLY A 86 -1.234 10.279 -23.215 1.00 0.00 C ATOM 1108 C GLY A 86 -0.674 11.461 -22.421 1.00 0.00 C ATOM 1109 O GLY A 86 -0.923 12.616 -22.762 1.00 0.00 O ATOM 0 H GLY A 86 0.380 8.943 -23.142 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -1.089 10.451 -24.281 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.308 10.200 -23.048 1.00 0.00 H new ATOM 1113 N ILE A 87 0.070 11.131 -21.376 1.00 0.00 N ATOM 1114 CA ILE A 87 0.667 12.150 -20.530 1.00 0.00 C ATOM 1115 C ILE A 87 2.172 11.897 -20.417 1.00 0.00 C ATOM 1116 O ILE A 87 2.603 11.018 -19.673 1.00 0.00 O ATOM 1117 CB ILE A 87 -0.049 12.212 -19.179 1.00 0.00 C ATOM 1118 CG1 ILE A 87 -0.112 10.829 -18.528 1.00 0.00 C ATOM 1119 CG2 ILE A 87 -1.436 12.842 -19.322 1.00 0.00 C ATOM 1120 CD1 ILE A 87 -1.408 10.106 -18.901 1.00 0.00 C ATOM 0 H ILE A 87 0.273 10.172 -21.096 1.00 0.00 H new ATOM 0 HA ILE A 87 0.542 13.136 -20.977 1.00 0.00 H new ATOM 0 HB ILE A 87 0.529 12.854 -18.515 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.745 10.234 -18.845 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.046 10.930 -17.445 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -1.923 12.874 -18.348 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.337 13.855 -19.712 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.037 12.246 -20.009 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.428 9.125 -18.425 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -2.262 10.691 -18.561 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.459 9.985 -19.983 1.00 0.00 H new ATOM 1132 N ASP A 88 2.930 12.684 -21.167 1.00 0.00 N ATOM 1133 CA ASP A 88 4.377 12.556 -21.161 1.00 0.00 C ATOM 1134 C ASP A 88 4.974 13.613 -20.229 1.00 0.00 C ATOM 1135 O ASP A 88 6.105 13.471 -19.767 1.00 0.00 O ATOM 1136 CB ASP A 88 4.956 12.777 -22.560 1.00 0.00 C ATOM 1137 CG ASP A 88 4.413 14.003 -23.297 1.00 0.00 C ATOM 1138 OD1 ASP A 88 3.623 14.783 -22.745 1.00 0.00 O ATOM 1139 OD2 ASP A 88 4.840 14.144 -24.507 1.00 0.00 O ATOM 0 H ASP A 88 2.569 13.413 -21.783 1.00 0.00 H new ATOM 0 HA ASP A 88 4.625 11.550 -20.824 1.00 0.00 H new ATOM 0 HB2 ASP A 88 6.039 12.871 -22.478 1.00 0.00 H new ATOM 0 HB3 ASP A 88 4.757 11.891 -23.163 1.00 0.00 H new ATOM 1145 N ASP A 89 4.187 14.650 -19.982 1.00 0.00 N ATOM 1146 CA ASP A 89 4.623 15.730 -19.114 1.00 0.00 C ATOM 1147 C ASP A 89 3.399 16.480 -18.585 1.00 0.00 C ATOM 1148 O ASP A 89 2.370 16.547 -19.256 1.00 0.00 O ATOM 1149 CB ASP A 89 5.498 16.729 -19.875 1.00 0.00 C ATOM 1150 CG ASP A 89 4.861 17.316 -21.136 1.00 0.00 C ATOM 1151 OD1 ASP A 89 3.629 17.386 -21.256 1.00 0.00 O ATOM 1152 OD2 ASP A 89 5.698 17.717 -22.033 1.00 0.00 O ATOM 0 H ASP A 89 3.250 14.765 -20.368 1.00 0.00 H new ATOM 0 HA ASP A 89 5.199 15.295 -18.298 1.00 0.00 H new ATOM 0 HB2 ASP A 89 5.758 17.547 -19.203 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.430 16.236 -20.152 1.00 0.00 H new