USER MOD reduce.3.24.130724 H: found=0, std=0, add=920, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 918 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 116 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 117 GLN : amide:sc= -3.69! C(o=-3.7!,f=-7.2!) USER MOD Set 2.1: A 46 THR OG1 : rot 32:sc= -1.08! USER MOD Set 2.2: A 47 HIS :FLIP no HE2:sc= -2.22! C(o=-6.6!,f=-4.9!) USER MOD Set 2.3: A 50 GLN : amide:sc= -1.62! C(o=-4.9!,f=-5.8!) USER MOD Set 3.1: A 8 CYS SG : rot 137:sc= 0.355 USER MOD Set 3.2: A 34 CYS SG : rot 126:sc= -0.221 USER MOD Single : A 4 GLN : amide:sc= -0.0324 X(o=-0.032,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.057 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 CYS SG : rot 90:sc= -0.813 USER MOD Single : A 21 GLN : amide:sc= -11.9! C(o=-12!,f=-19!) USER MOD Single : A 25 SER OG : rot 51:sc= 1.17 USER MOD Single : A 29 TYR OH : rot -40:sc= -1.73! USER MOD Single : A 30 GLN :FLIP amide:sc= -0.0375 F(o=-0.91,f=-0.037) USER MOD Single : A 32 GLN : amide:sc= -1.1 X(o=-1.1,f=-0.83) USER MOD Single : A 36 SER OG : rot -170:sc= 1 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -20:sc= -1.96! USER MOD Single : A 45 GLN : amide:sc= -2.76! C(o=-2.8!,f=-3.4!) USER MOD Single : A 53 CYS SG : rot -13:sc= -0.286 USER MOD Single : A 60 ASN : amide:sc= 0.276 K(o=0.28,f=-1.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0.0315 USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 69 GLN : amide:sc= -0.479 K(o=-0.48,f=-2.6!) USER MOD Single : A 71 CYS SG : rot 33:sc= -3.72 USER MOD Single : A 99 TYR OH : rot -9:sc= 0.192 USER MOD Single : A 100 HIS : no HD1:sc= -14.5! C(o=-15!,f=-26!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HE2:sc= -0.94 K(o=-0.94,f=-1.8) USER MOD Single : A 109 HIS : no HD1:sc= -2.81 X(o=-2.8,f=-2.6) USER MOD Single : A 110 GLN : amide:sc= 0.622 K(o=0.62,f=-7.3!) USER MOD Single : A 113 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.71!) USER MOD Single : A 133 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 134 MET CE :methyl 153:sc= -0.155 (180deg=-1.08) USER MOD ----------------------------------------------------------------- ATOM 50 N GLN A 4 3.338 4.063 16.006 1.00 0.00 N ATOM 51 CA GLN A 4 4.195 3.892 14.801 1.00 0.00 C ATOM 52 C GLN A 4 3.351 3.777 13.528 1.00 0.00 C ATOM 53 O GLN A 4 2.135 3.769 13.562 1.00 0.00 O ATOM 54 CB GLN A 4 4.965 2.596 15.056 1.00 0.00 C ATOM 55 CG GLN A 4 5.864 2.779 16.282 1.00 0.00 C ATOM 56 CD GLN A 4 6.652 1.494 16.535 1.00 0.00 C ATOM 57 OE1 GLN A 4 6.200 0.624 17.252 1.00 0.00 O ATOM 58 NE2 GLN A 4 7.821 1.337 15.973 1.00 0.00 N ATOM 0 HA GLN A 4 4.854 4.746 14.647 1.00 0.00 H new ATOM 0 HB2 GLN A 4 4.270 1.772 15.219 1.00 0.00 H new ATOM 0 HB3 GLN A 4 5.566 2.338 14.184 1.00 0.00 H new ATOM 0 HG2 GLN A 4 6.549 3.612 16.123 1.00 0.00 H new ATOM 0 HG3 GLN A 4 5.260 3.025 17.155 1.00 0.00 H new ATOM 0 HE21 GLN A 4 8.200 2.068 15.371 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.355 0.483 16.136 1.00 0.00 H new ATOM 67 N ILE A 5 4.003 3.698 12.403 1.00 0.00 N ATOM 68 CA ILE A 5 3.286 3.593 11.107 1.00 0.00 C ATOM 69 C ILE A 5 3.264 2.139 10.629 1.00 0.00 C ATOM 70 O ILE A 5 4.260 1.444 10.678 1.00 0.00 O ATOM 71 CB ILE A 5 4.112 4.450 10.150 1.00 0.00 C ATOM 72 CG1 ILE A 5 4.215 5.874 10.697 1.00 0.00 C ATOM 73 CG2 ILE A 5 3.438 4.484 8.784 1.00 0.00 C ATOM 74 CD1 ILE A 5 5.130 6.702 9.795 1.00 0.00 C ATOM 0 H ILE A 5 5.020 3.702 12.328 1.00 0.00 H new ATOM 0 HA ILE A 5 2.248 3.920 11.175 1.00 0.00 H new ATOM 0 HB ILE A 5 5.110 4.022 10.054 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.226 6.329 10.745 1.00 0.00 H new ATOM 0 HG13 ILE A 5 4.608 5.857 11.714 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.028 5.096 8.102 1.00 0.00 H new ATOM 0 HG22 ILE A 5 3.363 3.471 8.390 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.439 4.910 8.881 1.00 0.00 H new ATOM 0 HD11 ILE A 5 5.203 7.717 10.185 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.122 6.250 9.770 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.718 6.730 8.786 1.00 0.00 H new ATOM 86 N ALA A 6 2.140 1.670 10.164 1.00 0.00 N ATOM 87 CA ALA A 6 2.071 0.267 9.681 1.00 0.00 C ATOM 88 C ALA A 6 2.190 0.233 8.158 1.00 0.00 C ATOM 89 O ALA A 6 1.315 0.679 7.445 1.00 0.00 O ATOM 90 CB ALA A 6 0.702 -0.231 10.121 1.00 0.00 C ATOM 0 H ALA A 6 1.269 2.197 10.098 1.00 0.00 H new ATOM 0 HA ALA A 6 2.876 -0.351 10.078 1.00 0.00 H new ATOM 0 HB1 ALA A 6 0.571 -1.265 9.802 1.00 0.00 H new ATOM 0 HB2 ALA A 6 0.626 -0.174 11.207 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -0.073 0.389 9.670 1.00 0.00 H new ATOM 96 N ILE A 7 3.265 -0.297 7.657 1.00 0.00 N ATOM 97 CA ILE A 7 3.439 -0.363 6.180 1.00 0.00 C ATOM 98 C ILE A 7 3.667 -1.812 5.748 1.00 0.00 C ATOM 99 O ILE A 7 4.620 -2.447 6.154 1.00 0.00 O ATOM 100 CB ILE A 7 4.670 0.496 5.883 1.00 0.00 C ATOM 101 CG1 ILE A 7 4.403 1.938 6.311 1.00 0.00 C ATOM 102 CG2 ILE A 7 4.983 0.476 4.382 1.00 0.00 C ATOM 103 CD1 ILE A 7 5.588 2.807 5.892 1.00 0.00 C ATOM 0 H ILE A 7 4.032 -0.688 8.204 1.00 0.00 H new ATOM 0 HA ILE A 7 2.563 -0.005 5.640 1.00 0.00 H new ATOM 0 HB ILE A 7 5.518 0.092 6.435 1.00 0.00 H new ATOM 0 HG12 ILE A 7 3.486 2.304 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 7 4.260 1.990 7.390 1.00 0.00 H new ATOM 0 HG21 ILE A 7 5.861 1.091 4.185 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.179 -0.548 4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.132 0.871 3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.407 3.839 6.193 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.495 2.442 6.374 1.00 0.00 H new ATOM 0 HD13 ILE A 7 5.708 2.761 4.810 1.00 0.00 H new ATOM 115 N CYS A 8 2.805 -2.340 4.926 1.00 0.00 N ATOM 116 CA CYS A 8 2.989 -3.745 4.475 1.00 0.00 C ATOM 117 C CYS A 8 3.566 -3.757 3.071 1.00 0.00 C ATOM 118 O CYS A 8 2.978 -3.231 2.146 1.00 0.00 O ATOM 119 CB CYS A 8 1.596 -4.361 4.478 1.00 0.00 C ATOM 120 SG CYS A 8 1.726 -6.151 4.235 1.00 0.00 S ATOM 0 H CYS A 8 1.986 -1.863 4.549 1.00 0.00 H new ATOM 0 HA CYS A 8 3.673 -4.298 5.119 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.094 -4.147 5.422 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.990 -3.919 3.687 1.00 0.00 H new ATOM 0 HG CYS A 8 0.908 -6.759 5.042 1.00 0.00 H new ATOM 126 N ILE A 9 4.711 -4.342 2.891 1.00 0.00 N ATOM 127 CA ILE A 9 5.294 -4.359 1.536 1.00 0.00 C ATOM 128 C ILE A 9 5.267 -5.761 0.959 1.00 0.00 C ATOM 129 O ILE A 9 5.492 -6.743 1.642 1.00 0.00 O ATOM 130 CB ILE A 9 6.734 -3.904 1.712 1.00 0.00 C ATOM 131 CG1 ILE A 9 7.481 -4.044 0.384 1.00 0.00 C ATOM 132 CG2 ILE A 9 7.398 -4.788 2.761 1.00 0.00 C ATOM 133 CD1 ILE A 9 8.939 -3.628 0.577 1.00 0.00 C ATOM 0 H ILE A 9 5.260 -4.803 3.616 1.00 0.00 H new ATOM 0 HA ILE A 9 4.736 -3.718 0.853 1.00 0.00 H new ATOM 0 HB ILE A 9 6.759 -2.861 2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 9 7.429 -5.074 0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 9 7.011 -3.422 -0.378 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.433 -4.474 2.899 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.862 -4.697 3.706 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.375 -5.826 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 9 9.474 -3.727 -0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.980 -2.591 0.911 1.00 0.00 H new ATOM 0 HD13 ILE A 9 9.404 -4.269 1.326 1.00 0.00 H new ATOM 145 N TRP A 10 5.029 -5.858 -0.307 1.00 0.00 N ATOM 146 CA TRP A 10 5.033 -7.192 -0.947 1.00 0.00 C ATOM 147 C TRP A 10 6.122 -7.211 -1.998 1.00 0.00 C ATOM 148 O TRP A 10 6.052 -6.520 -2.994 1.00 0.00 O ATOM 149 CB TRP A 10 3.671 -7.388 -1.602 1.00 0.00 C ATOM 150 CG TRP A 10 3.733 -8.641 -2.414 1.00 0.00 C ATOM 151 CD1 TRP A 10 4.611 -9.652 -2.207 1.00 0.00 C ATOM 152 CD2 TRP A 10 2.922 -9.034 -3.552 1.00 0.00 C ATOM 153 NE1 TRP A 10 4.387 -10.640 -3.146 1.00 0.00 N ATOM 154 CE2 TRP A 10 3.355 -10.307 -3.998 1.00 0.00 C ATOM 155 CE3 TRP A 10 1.864 -8.416 -4.234 1.00 0.00 C ATOM 156 CZ2 TRP A 10 2.757 -10.944 -5.083 1.00 0.00 C ATOM 157 CZ3 TRP A 10 1.260 -9.052 -5.326 1.00 0.00 C ATOM 158 CH2 TRP A 10 1.705 -10.314 -5.751 1.00 0.00 C ATOM 0 H TRP A 10 4.832 -5.074 -0.929 1.00 0.00 H new ATOM 0 HA TRP A 10 5.218 -7.987 -0.224 1.00 0.00 H new ATOM 0 HB2 TRP A 10 2.890 -7.461 -0.845 1.00 0.00 H new ATOM 0 HB3 TRP A 10 3.424 -6.535 -2.234 1.00 0.00 H new ATOM 0 HD1 TRP A 10 5.364 -9.681 -1.433 1.00 0.00 H new ATOM 0 HE1 TRP A 10 4.919 -11.508 -3.202 1.00 0.00 H new ATOM 0 HE3 TRP A 10 1.513 -7.445 -3.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 3.103 -11.915 -5.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 0.446 -8.568 -5.845 1.00 0.00 H new ATOM 0 HH2 TRP A 10 1.234 -10.797 -6.594 1.00 0.00 H new ATOM 169 N VAL A 11 7.136 -7.977 -1.780 1.00 0.00 N ATOM 170 CA VAL A 11 8.237 -8.021 -2.763 1.00 0.00 C ATOM 171 C VAL A 11 8.978 -9.347 -2.628 1.00 0.00 C ATOM 172 O VAL A 11 9.418 -9.725 -1.559 1.00 0.00 O ATOM 173 CB VAL A 11 9.110 -6.824 -2.381 1.00 0.00 C ATOM 174 CG1 VAL A 11 9.747 -7.065 -1.016 1.00 0.00 C ATOM 175 CG2 VAL A 11 10.200 -6.608 -3.431 1.00 0.00 C ATOM 0 H VAL A 11 7.253 -8.577 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 11 7.915 -7.962 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 11 8.485 -5.932 -2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.368 -6.210 -0.748 1.00 0.00 H new ATOM 0 HG12 VAL A 11 8.965 -7.195 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.364 -7.963 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.814 -5.753 -3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.825 -7.499 -3.495 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.739 -6.418 -4.400 1.00 0.00 H new ATOM 185 N GLU A 12 9.105 -10.069 -3.704 1.00 0.00 N ATOM 186 CA GLU A 12 9.806 -11.380 -3.633 1.00 0.00 C ATOM 187 C GLU A 12 11.307 -11.175 -3.837 1.00 0.00 C ATOM 188 O GLU A 12 12.066 -12.117 -3.946 1.00 0.00 O ATOM 189 CB GLU A 12 9.200 -12.215 -4.767 1.00 0.00 C ATOM 190 CG GLU A 12 7.743 -12.548 -4.434 1.00 0.00 C ATOM 191 CD GLU A 12 7.127 -13.360 -5.573 1.00 0.00 C ATOM 192 OE1 GLU A 12 7.570 -13.196 -6.698 1.00 0.00 O ATOM 193 OE2 GLU A 12 6.221 -14.131 -5.302 1.00 0.00 O ATOM 0 H GLU A 12 8.755 -9.810 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 12 9.685 -11.873 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 12 9.253 -11.665 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.772 -13.133 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.693 -13.113 -3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 12 7.176 -11.630 -4.281 1.00 0.00 H new ATOM 200 N SER A 13 11.737 -9.942 -3.881 1.00 0.00 N ATOM 201 CA SER A 13 13.187 -9.662 -4.072 1.00 0.00 C ATOM 202 C SER A 13 13.773 -9.019 -2.809 1.00 0.00 C ATOM 203 O SER A 13 13.257 -8.044 -2.298 1.00 0.00 O ATOM 204 CB SER A 13 13.247 -8.682 -5.242 1.00 0.00 C ATOM 205 OG SER A 13 14.597 -8.527 -5.653 1.00 0.00 O ATOM 0 H SER A 13 11.144 -9.116 -3.793 1.00 0.00 H new ATOM 0 HA SER A 13 13.761 -10.569 -4.265 1.00 0.00 H new ATOM 0 HB2 SER A 13 12.642 -9.049 -6.071 1.00 0.00 H new ATOM 0 HB3 SER A 13 12.831 -7.719 -4.947 1.00 0.00 H new ATOM 0 HG SER A 13 14.640 -7.900 -6.405 1.00 0.00 H new ATOM 211 N THR A 14 14.849 -9.555 -2.307 1.00 0.00 N ATOM 212 CA THR A 14 15.472 -8.973 -1.083 1.00 0.00 C ATOM 213 C THR A 14 15.982 -7.560 -1.380 1.00 0.00 C ATOM 214 O THR A 14 15.707 -6.626 -0.654 1.00 0.00 O ATOM 215 CB THR A 14 16.634 -9.909 -0.755 1.00 0.00 C ATOM 216 OG1 THR A 14 16.228 -11.253 -0.968 1.00 0.00 O ATOM 217 CG2 THR A 14 17.050 -9.732 0.706 1.00 0.00 C ATOM 0 H THR A 14 15.326 -10.371 -2.690 1.00 0.00 H new ATOM 0 HA THR A 14 14.770 -8.890 -0.253 1.00 0.00 H new ATOM 0 HB THR A 14 17.480 -9.671 -1.400 1.00 0.00 H new ATOM 0 HG1 THR A 14 16.972 -11.856 -0.760 1.00 0.00 H new ATOM 0 HG21 THR A 14 17.879 -10.403 0.932 1.00 0.00 H new ATOM 0 HG22 THR A 14 17.362 -8.701 0.873 1.00 0.00 H new ATOM 0 HG23 THR A 14 16.206 -9.966 1.355 1.00 0.00 H new ATOM 225 N ALA A 15 16.716 -7.390 -2.447 1.00 0.00 N ATOM 226 CA ALA A 15 17.227 -6.032 -2.783 1.00 0.00 C ATOM 227 C ALA A 15 16.068 -5.035 -2.790 1.00 0.00 C ATOM 228 O ALA A 15 16.119 -4.006 -2.144 1.00 0.00 O ATOM 229 CB ALA A 15 17.837 -6.163 -4.181 1.00 0.00 C ATOM 0 H ALA A 15 16.982 -8.130 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 15 17.960 -5.672 -2.061 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.235 -5.198 -4.496 1.00 0.00 H new ATOM 0 HB2 ALA A 15 18.641 -6.898 -4.160 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.069 -6.486 -4.884 1.00 0.00 H new ATOM 235 N ILE A 16 15.012 -5.338 -3.496 1.00 0.00 N ATOM 236 CA ILE A 16 13.848 -4.410 -3.509 1.00 0.00 C ATOM 237 C ILE A 16 13.254 -4.326 -2.105 1.00 0.00 C ATOM 238 O ILE A 16 12.911 -3.265 -1.623 1.00 0.00 O ATOM 239 CB ILE A 16 12.848 -5.035 -4.475 1.00 0.00 C ATOM 240 CG1 ILE A 16 13.459 -5.076 -5.879 1.00 0.00 C ATOM 241 CG2 ILE A 16 11.569 -4.196 -4.489 1.00 0.00 C ATOM 242 CD1 ILE A 16 12.525 -5.844 -6.812 1.00 0.00 C ATOM 0 H ILE A 16 14.906 -6.181 -4.060 1.00 0.00 H new ATOM 0 HA ILE A 16 14.120 -3.399 -3.813 1.00 0.00 H new ATOM 0 HB ILE A 16 12.610 -6.050 -4.157 1.00 0.00 H new ATOM 0 HG12 ILE A 16 13.612 -4.063 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 16 14.437 -5.556 -5.849 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.851 -4.639 -5.179 1.00 0.00 H new ATOM 0 HG22 ILE A 16 11.141 -4.169 -3.487 1.00 0.00 H new ATOM 0 HG23 ILE A 16 11.803 -3.181 -4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 16 12.956 -5.876 -7.813 1.00 0.00 H new ATOM 0 HD12 ILE A 16 12.395 -6.860 -6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 16 11.557 -5.345 -6.850 1.00 0.00 H new ATOM 254 N LEU A 17 13.150 -5.443 -1.438 1.00 0.00 N ATOM 255 CA LEU A 17 12.601 -5.437 -0.056 1.00 0.00 C ATOM 256 C LEU A 17 13.481 -4.556 0.821 1.00 0.00 C ATOM 257 O LEU A 17 13.002 -3.778 1.623 1.00 0.00 O ATOM 258 CB LEU A 17 12.657 -6.909 0.384 1.00 0.00 C ATOM 259 CG LEU A 17 12.799 -7.029 1.910 1.00 0.00 C ATOM 260 CD1 LEU A 17 14.260 -6.808 2.306 1.00 0.00 C ATOM 261 CD2 LEU A 17 11.911 -5.994 2.609 1.00 0.00 C ATOM 0 H LEU A 17 13.422 -6.360 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 17 11.587 -5.042 0.013 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.752 -7.423 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.497 -7.405 -0.102 1.00 0.00 H new ATOM 0 HG LEU A 17 12.485 -8.026 2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 17 14.361 -6.893 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 17 14.885 -7.559 1.823 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.576 -5.814 1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.021 -6.090 3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 17 12.209 -4.992 2.302 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.870 -6.163 2.334 1.00 0.00 H new ATOM 273 N GLN A 18 14.766 -4.669 0.669 1.00 0.00 N ATOM 274 CA GLN A 18 15.677 -3.833 1.495 1.00 0.00 C ATOM 275 C GLN A 18 15.565 -2.361 1.095 1.00 0.00 C ATOM 276 O GLN A 18 15.406 -1.501 1.933 1.00 0.00 O ATOM 277 CB GLN A 18 17.082 -4.362 1.211 1.00 0.00 C ATOM 278 CG GLN A 18 17.228 -5.766 1.800 1.00 0.00 C ATOM 279 CD GLN A 18 18.708 -6.144 1.848 1.00 0.00 C ATOM 280 OE1 GLN A 18 19.294 -6.484 0.840 1.00 0.00 O ATOM 281 NE2 GLN A 18 19.338 -6.099 2.989 1.00 0.00 N ATOM 0 H GLN A 18 15.225 -5.300 0.012 1.00 0.00 H new ATOM 0 HA GLN A 18 15.430 -3.890 2.555 1.00 0.00 H new ATOM 0 HB2 GLN A 18 17.262 -4.387 0.136 1.00 0.00 H new ATOM 0 HB3 GLN A 18 17.828 -3.695 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 18 16.800 -5.798 2.802 1.00 0.00 H new ATOM 0 HG3 GLN A 18 16.677 -6.486 1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.843 -5.813 3.834 1.00 0.00 H new ATOM 0 HE22 GLN A 18 20.326 -6.350 3.037 1.00 0.00 H new ATOM 290 N ASP A 19 15.642 -2.062 -0.177 1.00 0.00 N ATOM 291 CA ASP A 19 15.545 -0.636 -0.611 1.00 0.00 C ATOM 292 C ASP A 19 14.203 -0.040 -0.192 1.00 0.00 C ATOM 293 O ASP A 19 14.142 1.042 0.358 1.00 0.00 O ATOM 294 CB ASP A 19 15.655 -0.670 -2.134 1.00 0.00 C ATOM 295 CG ASP A 19 17.003 -1.267 -2.537 1.00 0.00 C ATOM 296 OD1 ASP A 19 17.994 -0.916 -1.916 1.00 0.00 O ATOM 297 OD2 ASP A 19 17.023 -2.064 -3.459 1.00 0.00 O ATOM 0 H ASP A 19 15.767 -2.739 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 19 16.323 -0.021 -0.158 1.00 0.00 H new ATOM 0 HB2 ASP A 19 14.843 -1.263 -2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 19 15.556 0.337 -2.538 1.00 0.00 H new ATOM 302 N CYS A 20 13.128 -0.734 -0.435 1.00 0.00 N ATOM 303 CA CYS A 20 11.802 -0.192 -0.037 1.00 0.00 C ATOM 304 C CYS A 20 11.772 0.036 1.473 1.00 0.00 C ATOM 305 O CYS A 20 11.237 1.016 1.951 1.00 0.00 O ATOM 306 CB CYS A 20 10.790 -1.258 -0.445 1.00 0.00 C ATOM 307 SG CYS A 20 10.604 -1.257 -2.247 1.00 0.00 S ATOM 0 H CYS A 20 13.110 -1.647 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 20 11.583 0.765 -0.512 1.00 0.00 H new ATOM 0 HB2 CYS A 20 11.121 -2.239 -0.104 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.829 -1.063 0.031 1.00 0.00 H new ATOM 0 HG CYS A 20 11.467 -2.075 -2.773 1.00 0.00 H new ATOM 313 N GLN A 21 12.348 -0.858 2.233 1.00 0.00 N ATOM 314 CA GLN A 21 12.350 -0.674 3.706 1.00 0.00 C ATOM 315 C GLN A 21 13.532 0.204 4.128 1.00 0.00 C ATOM 316 O GLN A 21 13.497 0.845 5.159 1.00 0.00 O ATOM 317 CB GLN A 21 12.459 -2.084 4.275 1.00 0.00 C ATOM 318 CG GLN A 21 11.188 -2.854 3.908 1.00 0.00 C ATOM 319 CD GLN A 21 11.155 -4.195 4.640 1.00 0.00 C ATOM 320 OE1 GLN A 21 10.117 -4.822 4.726 1.00 0.00 O ATOM 321 NE2 GLN A 21 12.248 -4.670 5.173 1.00 0.00 N ATOM 0 H GLN A 21 12.813 -1.701 1.896 1.00 0.00 H new ATOM 0 HA GLN A 21 11.456 -0.169 4.071 1.00 0.00 H new ATOM 0 HB2 GLN A 21 13.337 -2.588 3.872 1.00 0.00 H new ATOM 0 HB3 GLN A 21 12.581 -2.048 5.358 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.309 -2.266 4.171 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.151 -3.018 2.831 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.120 -4.145 5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.230 -5.566 5.661 1.00 0.00 H new ATOM 330 N ARG A 22 14.570 0.268 3.332 1.00 0.00 N ATOM 331 CA ARG A 22 15.720 1.139 3.707 1.00 0.00 C ATOM 332 C ARG A 22 15.190 2.542 3.910 1.00 0.00 C ATOM 333 O ARG A 22 15.277 3.116 4.976 1.00 0.00 O ATOM 334 CB ARG A 22 16.671 1.122 2.510 1.00 0.00 C ATOM 335 CG ARG A 22 18.107 1.252 3.007 1.00 0.00 C ATOM 336 CD ARG A 22 18.598 -0.135 3.405 1.00 0.00 C ATOM 337 NE ARG A 22 20.019 0.043 3.812 1.00 0.00 N ATOM 338 CZ ARG A 22 20.755 -1.001 4.081 1.00 0.00 C ATOM 339 NH1 ARG A 22 20.258 -2.202 3.961 1.00 0.00 N ATOM 340 NH2 ARG A 22 21.990 -0.846 4.471 1.00 0.00 N ATOM 0 H ARG A 22 14.669 -0.238 2.452 1.00 0.00 H new ATOM 0 HA ARG A 22 16.223 0.805 4.614 1.00 0.00 H new ATOM 0 HB2 ARG A 22 16.551 0.196 1.948 1.00 0.00 H new ATOM 0 HB3 ARG A 22 16.434 1.940 1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 22 18.743 1.672 2.228 1.00 0.00 H new ATOM 0 HG3 ARG A 22 18.155 1.931 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 22 18.004 -0.541 4.224 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.513 -0.834 2.573 1.00 0.00 H new ATOM 0 HE ARG A 22 20.417 0.980 3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 22 19.293 -2.326 3.656 1.00 0.00 H new ATOM 0 HH12 ARG A 22 20.835 -3.016 4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 22 22.381 0.091 4.566 1.00 0.00 H new ATOM 0 HH22 ARG A 22 22.565 -1.662 4.681 1.00 0.00 H new ATOM 354 N ALA A 23 14.605 3.080 2.886 1.00 0.00 N ATOM 355 CA ALA A 23 14.023 4.437 2.995 1.00 0.00 C ATOM 356 C ALA A 23 12.984 4.431 4.125 1.00 0.00 C ATOM 357 O ALA A 23 13.003 5.275 4.998 1.00 0.00 O ATOM 358 CB ALA A 23 13.383 4.698 1.629 1.00 0.00 C ATOM 0 H ALA A 23 14.504 2.636 1.973 1.00 0.00 H new ATOM 0 HA ALA A 23 14.750 5.214 3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 23 12.926 5.688 1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 23 14.147 4.647 0.853 1.00 0.00 H new ATOM 0 HB3 ALA A 23 12.619 3.945 1.435 1.00 0.00 H new ATOM 364 N LEU A 24 12.088 3.468 4.131 1.00 0.00 N ATOM 365 CA LEU A 24 11.071 3.398 5.218 1.00 0.00 C ATOM 366 C LEU A 24 11.663 2.736 6.460 1.00 0.00 C ATOM 367 O LEU A 24 11.187 1.723 6.932 1.00 0.00 O ATOM 368 CB LEU A 24 9.949 2.552 4.631 1.00 0.00 C ATOM 369 CG LEU A 24 9.485 3.220 3.345 1.00 0.00 C ATOM 370 CD1 LEU A 24 8.234 2.532 2.818 1.00 0.00 C ATOM 371 CD2 LEU A 24 9.176 4.680 3.642 1.00 0.00 C ATOM 0 H LEU A 24 12.022 2.731 3.428 1.00 0.00 H new ATOM 0 HA LEU A 24 10.723 4.382 5.533 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.299 1.539 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.123 2.469 5.338 1.00 0.00 H new ATOM 0 HG LEU A 24 10.268 3.146 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.911 3.019 1.898 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.453 1.483 2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.440 2.600 3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 24 8.842 5.174 2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.391 4.740 4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 24 10.074 5.174 4.014 1.00 0.00 H new ATOM 383 N SER A 25 12.690 3.320 7.001 1.00 0.00 N ATOM 384 CA SER A 25 13.321 2.756 8.223 1.00 0.00 C ATOM 385 C SER A 25 13.043 3.687 9.399 1.00 0.00 C ATOM 386 O SER A 25 13.652 3.581 10.444 1.00 0.00 O ATOM 387 CB SER A 25 14.821 2.705 7.930 1.00 0.00 C ATOM 388 OG SER A 25 15.139 1.468 7.305 1.00 0.00 O ATOM 0 H SER A 25 13.124 4.172 6.646 1.00 0.00 H new ATOM 0 HA SER A 25 12.935 1.768 8.474 1.00 0.00 H new ATOM 0 HB2 SER A 25 15.105 3.535 7.283 1.00 0.00 H new ATOM 0 HB3 SER A 25 15.387 2.814 8.855 1.00 0.00 H new ATOM 0 HG SER A 25 14.533 1.317 6.550 1.00 0.00 H new ATOM 394 N ALA A 26 12.131 4.605 9.230 1.00 0.00 N ATOM 395 CA ALA A 26 11.826 5.546 10.338 1.00 0.00 C ATOM 396 C ALA A 26 11.606 4.753 11.621 1.00 0.00 C ATOM 397 O ALA A 26 11.070 3.663 11.607 1.00 0.00 O ATOM 398 CB ALA A 26 10.553 6.280 9.911 1.00 0.00 C ATOM 0 H ALA A 26 11.588 4.742 8.377 1.00 0.00 H new ATOM 0 HA ALA A 26 12.634 6.252 10.530 1.00 0.00 H new ATOM 0 HB1 ALA A 26 10.268 6.994 10.684 1.00 0.00 H new ATOM 0 HB2 ALA A 26 10.735 6.811 8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 26 9.748 5.559 9.768 1.00 0.00 H new ATOM 404 N ASP A 27 12.031 5.286 12.729 1.00 0.00 N ATOM 405 CA ASP A 27 11.869 4.559 14.016 1.00 0.00 C ATOM 406 C ASP A 27 10.394 4.256 14.284 1.00 0.00 C ATOM 407 O ASP A 27 10.058 3.465 15.143 1.00 0.00 O ATOM 408 CB ASP A 27 12.426 5.511 15.070 1.00 0.00 C ATOM 409 CG ASP A 27 11.567 6.776 15.115 1.00 0.00 C ATOM 410 OD1 ASP A 27 10.683 6.899 14.283 1.00 0.00 O ATOM 411 OD2 ASP A 27 11.809 7.601 15.981 1.00 0.00 O ATOM 0 H ASP A 27 12.485 6.197 12.800 1.00 0.00 H new ATOM 0 HA ASP A 27 12.384 3.598 14.015 1.00 0.00 H new ATOM 0 HB2 ASP A 27 12.432 5.027 16.047 1.00 0.00 H new ATOM 0 HB3 ASP A 27 13.459 5.767 14.835 1.00 0.00 H new ATOM 416 N ARG A 28 9.508 4.877 13.560 1.00 0.00 N ATOM 417 CA ARG A 28 8.060 4.617 13.781 1.00 0.00 C ATOM 418 C ARG A 28 7.482 3.836 12.596 1.00 0.00 C ATOM 419 O ARG A 28 6.336 3.986 12.239 1.00 0.00 O ATOM 420 CB ARG A 28 7.425 6.005 13.907 1.00 0.00 C ATOM 421 CG ARG A 28 7.269 6.646 12.525 1.00 0.00 C ATOM 422 CD ARG A 28 6.510 7.964 12.671 1.00 0.00 C ATOM 423 NE ARG A 28 7.526 8.956 13.130 1.00 0.00 N ATOM 424 CZ ARG A 28 7.237 10.232 13.155 1.00 0.00 C ATOM 425 NH1 ARG A 28 6.060 10.645 12.766 1.00 0.00 N ATOM 426 NH2 ARG A 28 8.126 11.094 13.566 1.00 0.00 N ATOM 0 H ARG A 28 9.723 5.552 12.826 1.00 0.00 H new ATOM 0 HA ARG A 28 7.868 4.013 14.668 1.00 0.00 H new ATOM 0 HB2 ARG A 28 6.451 5.924 14.390 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.044 6.639 14.542 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.248 6.823 12.079 1.00 0.00 H new ATOM 0 HG3 ARG A 28 6.731 5.974 11.857 1.00 0.00 H new ATOM 0 HD2 ARG A 28 6.064 8.268 11.724 1.00 0.00 H new ATOM 0 HD3 ARG A 28 5.697 7.872 13.391 1.00 0.00 H new ATOM 0 HE ARG A 28 8.449 8.638 13.425 1.00 0.00 H new ATOM 0 HH11 ARG A 28 5.365 9.972 12.442 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.836 11.640 12.786 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.046 10.773 13.868 1.00 0.00 H new ATOM 0 HH22 ARG A 28 7.901 12.089 13.586 1.00 0.00 H new ATOM 440 N TYR A 29 8.278 3.005 11.979 1.00 0.00 N ATOM 441 CA TYR A 29 7.783 2.217 10.812 1.00 0.00 C ATOM 442 C TYR A 29 7.645 0.730 11.153 1.00 0.00 C ATOM 443 O TYR A 29 8.559 0.104 11.655 1.00 0.00 O ATOM 444 CB TYR A 29 8.840 2.409 9.726 1.00 0.00 C ATOM 445 CG TYR A 29 8.414 3.542 8.832 1.00 0.00 C ATOM 446 CD1 TYR A 29 8.223 4.814 9.375 1.00 0.00 C ATOM 447 CD2 TYR A 29 8.185 3.321 7.472 1.00 0.00 C ATOM 448 CE1 TYR A 29 7.812 5.873 8.557 1.00 0.00 C ATOM 449 CE2 TYR A 29 7.770 4.376 6.655 1.00 0.00 C ATOM 450 CZ TYR A 29 7.585 5.653 7.196 1.00 0.00 C ATOM 451 OH TYR A 29 7.175 6.694 6.387 1.00 0.00 O ATOM 0 H TYR A 29 9.252 2.837 12.233 1.00 0.00 H new ATOM 0 HA TYR A 29 6.794 2.553 10.501 1.00 0.00 H new ATOM 0 HB2 TYR A 29 9.809 2.627 10.176 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.956 1.493 9.146 1.00 0.00 H new ATOM 0 HD1 TYR A 29 8.393 4.981 10.428 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.328 2.336 7.052 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.671 6.858 8.977 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.592 4.205 5.604 1.00 0.00 H new ATOM 0 HH TYR A 29 6.522 7.244 6.868 1.00 0.00 H new ATOM 461 N GLN A 30 6.511 0.162 10.848 1.00 0.00 N ATOM 462 CA GLN A 30 6.293 -1.288 11.107 1.00 0.00 C ATOM 463 C GLN A 30 6.209 -2.004 9.762 1.00 0.00 C ATOM 464 O GLN A 30 5.154 -2.121 9.173 1.00 0.00 O ATOM 465 CB GLN A 30 4.961 -1.358 11.845 1.00 0.00 C ATOM 466 CG GLN A 30 4.783 -2.747 12.462 1.00 0.00 C ATOM 467 CD GLN A 30 3.568 -2.738 13.396 1.00 0.00 C ATOM 468 OE1 GLN A 30 3.348 -1.697 14.153 1.00 0.00 O flip ATOM 469 NE2 GLN A 30 2.809 -3.687 13.433 1.00 0.00 N flip ATOM 0 H GLN A 30 5.719 0.646 10.426 1.00 0.00 H new ATOM 0 HA GLN A 30 7.089 -1.754 11.688 1.00 0.00 H new ATOM 0 HB2 GLN A 30 4.926 -0.597 12.624 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.142 -1.148 11.157 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.646 -3.491 11.677 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.679 -3.029 13.015 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.980 -4.500 12.842 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.001 -3.670 14.055 1.00 0.00 H new ATOM 478 N LEU A 31 7.320 -2.443 9.251 1.00 0.00 N ATOM 479 CA LEU A 31 7.314 -3.105 7.922 1.00 0.00 C ATOM 480 C LEU A 31 6.985 -4.589 8.027 1.00 0.00 C ATOM 481 O LEU A 31 7.644 -5.342 8.717 1.00 0.00 O ATOM 482 CB LEU A 31 8.731 -2.913 7.394 1.00 0.00 C ATOM 483 CG LEU A 31 9.146 -1.457 7.602 1.00 0.00 C ATOM 484 CD1 LEU A 31 10.455 -1.182 6.863 1.00 0.00 C ATOM 485 CD2 LEU A 31 8.047 -0.536 7.064 1.00 0.00 C ATOM 0 H LEU A 31 8.235 -2.372 9.697 1.00 0.00 H new ATOM 0 HA LEU A 31 6.554 -2.679 7.268 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.420 -3.579 7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.777 -3.170 6.336 1.00 0.00 H new ATOM 0 HG LEU A 31 9.291 -1.269 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.747 -0.143 7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.235 -1.838 7.249 1.00 0.00 H new ATOM 0 HD13 LEU A 31 10.318 -1.369 5.798 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.339 0.504 7.211 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.902 -0.726 6.000 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.116 -0.730 7.597 1.00 0.00 H new ATOM 497 N GLN A 32 5.993 -5.017 7.304 1.00 0.00 N ATOM 498 CA GLN A 32 5.635 -6.454 7.306 1.00 0.00 C ATOM 499 C GLN A 32 5.918 -7.000 5.914 1.00 0.00 C ATOM 500 O GLN A 32 5.202 -6.725 4.969 1.00 0.00 O ATOM 501 CB GLN A 32 4.143 -6.520 7.632 1.00 0.00 C ATOM 502 CG GLN A 32 3.804 -7.931 8.114 1.00 0.00 C ATOM 503 CD GLN A 32 4.661 -8.274 9.337 1.00 0.00 C ATOM 504 OE1 GLN A 32 4.364 -7.855 10.437 1.00 0.00 O ATOM 505 NE2 GLN A 32 5.724 -9.018 9.186 1.00 0.00 N ATOM 0 H GLN A 32 5.412 -4.427 6.708 1.00 0.00 H new ATOM 0 HA GLN A 32 6.200 -7.040 8.031 1.00 0.00 H new ATOM 0 HB2 GLN A 32 3.892 -5.789 8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 32 3.553 -6.271 6.750 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.746 -7.995 8.369 1.00 0.00 H new ATOM 0 HG3 GLN A 32 3.984 -8.652 7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.973 -9.370 8.262 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.305 -9.247 9.993 1.00 0.00 H new ATOM 514 N VAL A 33 6.978 -7.740 5.771 1.00 0.00 N ATOM 515 CA VAL A 33 7.329 -8.273 4.430 1.00 0.00 C ATOM 516 C VAL A 33 6.519 -9.516 4.107 1.00 0.00 C ATOM 517 O VAL A 33 6.534 -10.494 4.828 1.00 0.00 O ATOM 518 CB VAL A 33 8.808 -8.620 4.510 1.00 0.00 C ATOM 519 CG1 VAL A 33 9.259 -9.202 3.168 1.00 0.00 C ATOM 520 CG2 VAL A 33 9.603 -7.354 4.810 1.00 0.00 C ATOM 0 H VAL A 33 7.616 -7.999 6.524 1.00 0.00 H new ATOM 0 HA VAL A 33 7.115 -7.547 3.646 1.00 0.00 H new ATOM 0 HB VAL A 33 8.976 -9.352 5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 33 10.319 -9.453 3.218 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.683 -10.101 2.949 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.097 -8.467 2.380 1.00 0.00 H new ATOM 0 HG21 VAL A 33 10.664 -7.596 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.440 -6.625 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.274 -6.934 5.760 1.00 0.00 H new ATOM 530 N CYS A 34 5.831 -9.489 3.010 1.00 0.00 N ATOM 531 CA CYS A 34 5.035 -10.675 2.603 1.00 0.00 C ATOM 532 C CYS A 34 5.689 -11.303 1.370 1.00 0.00 C ATOM 533 O CYS A 34 5.774 -10.688 0.329 1.00 0.00 O ATOM 534 CB CYS A 34 3.647 -10.127 2.279 1.00 0.00 C ATOM 535 SG CYS A 34 2.975 -9.290 3.740 1.00 0.00 S ATOM 0 H CYS A 34 5.783 -8.694 2.372 1.00 0.00 H new ATOM 0 HA CYS A 34 4.979 -11.446 3.371 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.705 -9.431 1.442 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.986 -10.938 1.974 1.00 0.00 H new ATOM 0 HG CYS A 34 2.625 -8.079 3.423 1.00 0.00 H new ATOM 541 N GLU A 35 6.179 -12.508 1.484 1.00 0.00 N ATOM 542 CA GLU A 35 6.848 -13.151 0.316 1.00 0.00 C ATOM 543 C GLU A 35 5.862 -13.344 -0.837 1.00 0.00 C ATOM 544 O GLU A 35 6.206 -13.197 -1.994 1.00 0.00 O ATOM 545 CB GLU A 35 7.345 -14.499 0.831 1.00 0.00 C ATOM 546 CG GLU A 35 8.413 -14.273 1.905 1.00 0.00 C ATOM 547 CD GLU A 35 8.922 -15.624 2.404 1.00 0.00 C ATOM 548 OE1 GLU A 35 8.098 -16.478 2.685 1.00 0.00 O ATOM 549 OE2 GLU A 35 10.128 -15.784 2.495 1.00 0.00 O ATOM 0 H GLU A 35 6.145 -13.074 2.332 1.00 0.00 H new ATOM 0 HA GLU A 35 7.661 -12.538 -0.072 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.514 -15.071 1.244 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.758 -15.084 0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.238 -13.689 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.996 -13.700 2.733 1.00 0.00 H new ATOM 556 N SER A 36 4.643 -13.674 -0.535 1.00 0.00 N ATOM 557 CA SER A 36 3.645 -13.874 -1.618 1.00 0.00 C ATOM 558 C SER A 36 2.674 -12.695 -1.650 1.00 0.00 C ATOM 559 O SER A 36 2.883 -11.686 -1.005 1.00 0.00 O ATOM 560 CB SER A 36 2.909 -15.163 -1.247 1.00 0.00 C ATOM 561 OG SER A 36 1.838 -14.853 -0.365 1.00 0.00 O ATOM 0 H SER A 36 4.293 -13.814 0.413 1.00 0.00 H new ATOM 0 HA SER A 36 4.107 -13.940 -2.603 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.527 -15.649 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.595 -15.864 -0.772 1.00 0.00 H new ATOM 0 HG SER A 36 1.464 -15.682 -0.001 1.00 0.00 H new ATOM 567 N GLY A 37 1.600 -12.828 -2.370 1.00 0.00 N ATOM 568 CA GLY A 37 0.595 -11.734 -2.419 1.00 0.00 C ATOM 569 C GLY A 37 -0.513 -12.118 -1.453 1.00 0.00 C ATOM 570 O GLY A 37 -1.181 -11.285 -0.873 1.00 0.00 O ATOM 0 H GLY A 37 1.373 -13.650 -2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.044 -10.782 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.204 -11.613 -3.429 1.00 0.00 H new ATOM 574 N GLU A 38 -0.673 -13.397 -1.259 1.00 0.00 N ATOM 575 CA GLU A 38 -1.687 -13.902 -0.314 1.00 0.00 C ATOM 576 C GLU A 38 -1.232 -13.558 1.096 1.00 0.00 C ATOM 577 O GLU A 38 -2.024 -13.264 1.970 1.00 0.00 O ATOM 578 CB GLU A 38 -1.683 -15.411 -0.532 1.00 0.00 C ATOM 579 CG GLU A 38 -2.686 -15.777 -1.626 1.00 0.00 C ATOM 580 CD GLU A 38 -3.140 -17.224 -1.428 1.00 0.00 C ATOM 581 OE1 GLU A 38 -3.321 -17.615 -0.286 1.00 0.00 O ATOM 582 OE2 GLU A 38 -3.298 -17.918 -2.420 1.00 0.00 O ATOM 0 H GLU A 38 -0.129 -14.121 -1.728 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.681 -13.479 -0.458 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.684 -15.745 -0.815 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.939 -15.923 0.396 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.544 -15.106 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.230 -15.657 -2.609 1.00 0.00 H new ATOM 589 N MET A 39 0.056 -13.572 1.311 1.00 0.00 N ATOM 590 CA MET A 39 0.582 -13.220 2.650 1.00 0.00 C ATOM 591 C MET A 39 0.258 -11.758 2.917 1.00 0.00 C ATOM 592 O MET A 39 -0.054 -11.362 4.021 1.00 0.00 O ATOM 593 CB MET A 39 2.092 -13.445 2.561 1.00 0.00 C ATOM 594 CG MET A 39 2.402 -14.910 2.864 1.00 0.00 C ATOM 595 SD MET A 39 1.993 -15.267 4.593 1.00 0.00 S ATOM 596 CE MET A 39 1.423 -16.965 4.339 1.00 0.00 C ATOM 0 H MET A 39 0.762 -13.812 0.615 1.00 0.00 H new ATOM 0 HA MET A 39 0.152 -13.812 3.458 1.00 0.00 H new ATOM 0 HB2 MET A 39 2.452 -13.183 1.566 1.00 0.00 H new ATOM 0 HB3 MET A 39 2.610 -12.798 3.268 1.00 0.00 H new ATOM 0 HG2 MET A 39 1.829 -15.559 2.202 1.00 0.00 H new ATOM 0 HG3 MET A 39 3.456 -15.116 2.678 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.115 -17.392 5.293 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.578 -16.966 3.651 1.00 0.00 H new ATOM 0 HE3 MET A 39 2.233 -17.562 3.920 1.00 0.00 H new ATOM 606 N LEU A 40 0.308 -10.961 1.887 1.00 0.00 N ATOM 607 CA LEU A 40 -0.021 -9.523 2.030 1.00 0.00 C ATOM 608 C LEU A 40 -1.505 -9.384 2.375 1.00 0.00 C ATOM 609 O LEU A 40 -1.881 -8.699 3.303 1.00 0.00 O ATOM 610 CB LEU A 40 0.298 -8.932 0.652 1.00 0.00 C ATOM 611 CG LEU A 40 -0.526 -7.664 0.411 1.00 0.00 C ATOM 612 CD1 LEU A 40 -0.380 -6.726 1.604 1.00 0.00 C ATOM 613 CD2 LEU A 40 -0.016 -6.963 -0.847 1.00 0.00 C ATOM 0 H LEU A 40 0.566 -11.251 0.944 1.00 0.00 H new ATOM 0 HA LEU A 40 0.533 -9.016 2.820 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.361 -8.701 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.083 -9.666 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.575 -7.931 0.285 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.967 -5.824 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.738 -7.225 2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.669 -6.458 1.730 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.600 -6.060 -1.022 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.033 -6.697 -0.716 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.116 -7.631 -1.702 1.00 0.00 H new ATOM 625 N LEU A 41 -2.349 -10.053 1.642 1.00 0.00 N ATOM 626 CA LEU A 41 -3.807 -9.980 1.929 1.00 0.00 C ATOM 627 C LEU A 41 -4.067 -10.400 3.374 1.00 0.00 C ATOM 628 O LEU A 41 -4.908 -9.846 4.051 1.00 0.00 O ATOM 629 CB LEU A 41 -4.444 -10.968 0.952 1.00 0.00 C ATOM 630 CG LEU A 41 -4.174 -10.501 -0.479 1.00 0.00 C ATOM 631 CD1 LEU A 41 -4.618 -11.579 -1.469 1.00 0.00 C ATOM 632 CD2 LEU A 41 -4.964 -9.222 -0.744 1.00 0.00 C ATOM 0 H LEU A 41 -2.091 -10.648 0.855 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.214 -8.976 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.034 -11.966 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.517 -11.034 1.130 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.107 -10.314 -0.603 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.423 -11.241 -2.487 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.063 -12.498 -1.280 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.685 -11.768 -1.347 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.776 -8.883 -1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.029 -9.419 -0.617 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.652 -8.449 -0.041 1.00 0.00 H new ATOM 644 N GLU A 42 -3.346 -11.372 3.849 1.00 0.00 N ATOM 645 CA GLU A 42 -3.543 -11.832 5.253 1.00 0.00 C ATOM 646 C GLU A 42 -3.278 -10.679 6.225 1.00 0.00 C ATOM 647 O GLU A 42 -4.060 -10.420 7.118 1.00 0.00 O ATOM 648 CB GLU A 42 -2.519 -12.952 5.442 1.00 0.00 C ATOM 649 CG GLU A 42 -2.907 -13.815 6.642 1.00 0.00 C ATOM 650 CD GLU A 42 -1.975 -15.026 6.717 1.00 0.00 C ATOM 651 OE1 GLU A 42 -0.834 -14.844 7.107 1.00 0.00 O ATOM 652 OE2 GLU A 42 -2.416 -16.113 6.382 1.00 0.00 O ATOM 0 H GLU A 42 -2.626 -11.871 3.326 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.560 -12.175 5.444 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.469 -13.566 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.527 -12.527 5.594 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.839 -13.232 7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.942 -14.144 6.549 1.00 0.00 H new ATOM 659 N TYR A 43 -2.188 -9.979 6.058 1.00 0.00 N ATOM 660 CA TYR A 43 -1.893 -8.841 6.978 1.00 0.00 C ATOM 661 C TYR A 43 -2.955 -7.747 6.829 1.00 0.00 C ATOM 662 O TYR A 43 -3.358 -7.124 7.790 1.00 0.00 O ATOM 663 CB TYR A 43 -0.517 -8.320 6.551 1.00 0.00 C ATOM 664 CG TYR A 43 -0.290 -6.954 7.153 1.00 0.00 C ATOM 665 CD1 TYR A 43 0.299 -6.830 8.419 1.00 0.00 C ATOM 666 CD2 TYR A 43 -0.674 -5.810 6.446 1.00 0.00 C ATOM 667 CE1 TYR A 43 0.502 -5.562 8.975 1.00 0.00 C ATOM 668 CE2 TYR A 43 -0.472 -4.543 7.003 1.00 0.00 C ATOM 669 CZ TYR A 43 0.116 -4.418 8.268 1.00 0.00 C ATOM 670 OH TYR A 43 0.320 -3.168 8.816 1.00 0.00 O ATOM 0 H TYR A 43 -1.493 -10.144 5.330 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.901 -9.149 8.024 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.262 -9.008 6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.458 -8.265 5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.596 -7.713 8.965 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.126 -5.905 5.470 1.00 0.00 H new ATOM 0 HE1 TYR A 43 0.957 -5.466 9.950 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -0.770 -3.660 6.457 1.00 0.00 H new ATOM 0 HH TYR A 43 0.432 -3.250 9.786 1.00 0.00 H new ATOM 680 N ALA A 44 -3.403 -7.500 5.626 1.00 0.00 N ATOM 681 CA ALA A 44 -4.431 -6.437 5.411 1.00 0.00 C ATOM 682 C ALA A 44 -5.838 -6.976 5.700 1.00 0.00 C ATOM 683 O ALA A 44 -6.721 -6.244 6.101 1.00 0.00 O ATOM 684 CB ALA A 44 -4.297 -6.059 3.934 1.00 0.00 C ATOM 0 H ALA A 44 -3.102 -7.988 4.782 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.283 -5.584 6.073 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.020 -5.280 3.691 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.289 -5.691 3.743 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.487 -6.936 3.315 1.00 0.00 H new ATOM 690 N GLN A 45 -6.052 -8.246 5.493 1.00 0.00 N ATOM 691 CA GLN A 45 -7.404 -8.837 5.745 1.00 0.00 C ATOM 692 C GLN A 45 -7.875 -8.585 7.178 1.00 0.00 C ATOM 693 O GLN A 45 -9.024 -8.803 7.504 1.00 0.00 O ATOM 694 CB GLN A 45 -7.226 -10.338 5.522 1.00 0.00 C ATOM 695 CG GLN A 45 -7.538 -10.668 4.068 1.00 0.00 C ATOM 696 CD GLN A 45 -6.946 -12.032 3.706 1.00 0.00 C ATOM 697 OE1 GLN A 45 -6.603 -12.811 4.574 1.00 0.00 O ATOM 698 NE2 GLN A 45 -6.815 -12.358 2.451 1.00 0.00 N ATOM 0 H GLN A 45 -5.349 -8.905 5.159 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.153 -8.392 5.090 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.206 -10.635 5.764 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.887 -10.897 6.184 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.617 -10.677 3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.127 -9.898 3.415 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.102 -11.705 1.722 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.425 -13.266 2.198 1.00 0.00 H new ATOM 707 N THR A 46 -7.004 -8.166 8.044 1.00 0.00 N ATOM 708 CA THR A 46 -7.433 -7.953 9.460 1.00 0.00 C ATOM 709 C THR A 46 -7.006 -6.571 9.965 1.00 0.00 C ATOM 710 O THR A 46 -7.250 -6.213 11.100 1.00 0.00 O ATOM 711 CB THR A 46 -6.739 -9.070 10.242 1.00 0.00 C ATOM 712 OG1 THR A 46 -5.407 -8.678 10.545 1.00 0.00 O ATOM 713 CG2 THR A 46 -6.721 -10.349 9.394 1.00 0.00 C ATOM 0 H THR A 46 -6.025 -7.962 7.844 1.00 0.00 H new ATOM 0 HA THR A 46 -8.517 -7.984 9.573 1.00 0.00 H new ATOM 0 HB THR A 46 -7.279 -9.258 11.170 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.372 -7.707 10.670 1.00 0.00 H new ATOM 0 HG21 THR A 46 -6.227 -11.147 9.949 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.744 -10.647 9.163 1.00 0.00 H new ATOM 0 HG23 THR A 46 -6.179 -10.163 8.467 1.00 0.00 H new ATOM 721 N HIS A 47 -6.387 -5.793 9.129 1.00 0.00 N ATOM 722 CA HIS A 47 -5.959 -4.429 9.546 1.00 0.00 C ATOM 723 C HIS A 47 -6.159 -3.471 8.368 1.00 0.00 C ATOM 724 O HIS A 47 -5.441 -2.509 8.208 1.00 0.00 O ATOM 725 CB HIS A 47 -4.474 -4.567 9.902 1.00 0.00 C ATOM 726 CG HIS A 47 -4.325 -5.435 11.125 1.00 0.00 C ATOM 727 ND1 HIS A 47 -3.907 -6.732 11.282 1.00 0.00 N flip ATOM 728 CD2 HIS A 47 -4.626 -4.979 12.401 1.00 0.00 C flip ATOM 729 CE1 HIS A 47 -3.946 -7.079 12.630 1.00 0.00 C flip ATOM 730 NE2 HIS A 47 -4.386 -5.987 13.259 1.00 0.00 N flip ATOM 0 H HIS A 47 -6.156 -6.043 8.167 1.00 0.00 H new ATOM 0 HA HIS A 47 -6.527 -4.036 10.389 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.928 -5.003 9.065 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.041 -3.584 10.087 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.612 -7.349 10.525 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -4.987 -3.994 12.658 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -3.678 -8.027 13.072 1.00 0.00 H new ATOM 738 N ARG A 48 -7.123 -3.758 7.530 1.00 0.00 N ATOM 739 CA ARG A 48 -7.365 -2.895 6.322 1.00 0.00 C ATOM 740 C ARG A 48 -7.228 -1.419 6.679 1.00 0.00 C ATOM 741 O ARG A 48 -6.447 -0.693 6.098 1.00 0.00 O ATOM 742 CB ARG A 48 -8.821 -3.126 5.866 1.00 0.00 C ATOM 743 CG ARG A 48 -9.324 -4.524 6.220 1.00 0.00 C ATOM 744 CD ARG A 48 -10.724 -4.722 5.624 1.00 0.00 C ATOM 745 NE ARG A 48 -11.136 -6.101 6.020 1.00 0.00 N ATOM 746 CZ ARG A 48 -11.721 -6.320 7.172 1.00 0.00 C ATOM 747 NH1 ARG A 48 -11.914 -5.345 8.020 1.00 0.00 N ATOM 748 NH2 ARG A 48 -12.108 -7.528 7.481 1.00 0.00 N ATOM 0 H ARG A 48 -7.756 -4.552 7.626 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.642 -3.150 5.548 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -9.467 -2.381 6.330 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.889 -2.980 4.788 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.640 -5.279 5.832 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -9.355 -4.649 7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -11.422 -3.979 6.008 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.708 -4.614 4.540 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.960 -6.881 5.387 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.608 -4.400 7.789 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -12.371 -5.529 8.913 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.954 -8.296 6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -12.564 -7.704 8.376 1.00 0.00 H new ATOM 762 N ASP A 49 -8.001 -0.976 7.622 1.00 0.00 N ATOM 763 CA ASP A 49 -7.951 0.463 8.026 1.00 0.00 C ATOM 764 C ASP A 49 -6.744 0.727 8.932 1.00 0.00 C ATOM 765 O ASP A 49 -6.420 1.858 9.234 1.00 0.00 O ATOM 766 CB ASP A 49 -9.260 0.709 8.784 1.00 0.00 C ATOM 767 CG ASP A 49 -9.983 1.923 8.194 1.00 0.00 C ATOM 768 OD1 ASP A 49 -9.432 2.539 7.297 1.00 0.00 O ATOM 769 OD2 ASP A 49 -11.077 2.216 8.650 1.00 0.00 O ATOM 0 H ASP A 49 -8.671 -1.546 8.138 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.846 1.126 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.899 -0.172 8.720 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -9.053 0.876 9.841 1.00 0.00 H new ATOM 774 N GLN A 50 -6.083 -0.306 9.376 1.00 0.00 N ATOM 775 CA GLN A 50 -4.908 -0.105 10.273 1.00 0.00 C ATOM 776 C GLN A 50 -3.589 -0.117 9.489 1.00 0.00 C ATOM 777 O GLN A 50 -2.532 -0.298 10.058 1.00 0.00 O ATOM 778 CB GLN A 50 -4.958 -1.270 11.260 1.00 0.00 C ATOM 779 CG GLN A 50 -6.112 -1.063 12.245 1.00 0.00 C ATOM 780 CD GLN A 50 -6.026 -2.117 13.349 1.00 0.00 C ATOM 781 OE1 GLN A 50 -5.010 -2.243 14.004 1.00 0.00 O ATOM 782 NE2 GLN A 50 -7.050 -2.891 13.584 1.00 0.00 N ATOM 0 H GLN A 50 -6.304 -1.278 9.158 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.950 0.863 10.772 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.090 -2.209 10.723 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -4.014 -1.342 11.801 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -6.063 -0.063 12.676 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.067 -1.140 11.726 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.904 -2.787 13.036 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.996 -3.599 14.316 1.00 0.00 H new ATOM 791 N ILE A 51 -3.625 0.094 8.200 1.00 0.00 N ATOM 792 CA ILE A 51 -2.345 0.109 7.427 1.00 0.00 C ATOM 793 C ILE A 51 -1.971 1.548 7.086 1.00 0.00 C ATOM 794 O ILE A 51 -2.755 2.283 6.520 1.00 0.00 O ATOM 795 CB ILE A 51 -2.609 -0.690 6.147 1.00 0.00 C ATOM 796 CG1 ILE A 51 -3.231 -2.043 6.492 1.00 0.00 C ATOM 797 CG2 ILE A 51 -1.288 -0.923 5.405 1.00 0.00 C ATOM 798 CD1 ILE A 51 -2.568 -2.622 7.746 1.00 0.00 C ATOM 0 H ILE A 51 -4.471 0.255 7.654 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.522 -0.323 7.997 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.295 -0.126 5.515 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.302 -1.928 6.657 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.110 -2.732 5.656 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.477 -1.492 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.841 0.037 5.147 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.604 -1.481 6.045 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.018 -3.586 7.983 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.501 -2.754 7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.712 -1.938 8.583 1.00 0.00 H new ATOM 810 N ASP A 52 -0.781 1.960 7.424 1.00 0.00 N ATOM 811 CA ASP A 52 -0.373 3.353 7.113 1.00 0.00 C ATOM 812 C ASP A 52 0.076 3.462 5.654 1.00 0.00 C ATOM 813 O ASP A 52 0.044 4.525 5.068 1.00 0.00 O ATOM 814 CB ASP A 52 0.787 3.654 8.062 1.00 0.00 C ATOM 815 CG ASP A 52 0.241 4.167 9.397 1.00 0.00 C ATOM 816 OD1 ASP A 52 -0.292 3.365 10.148 1.00 0.00 O ATOM 817 OD2 ASP A 52 0.365 5.354 9.645 1.00 0.00 O ATOM 0 H ASP A 52 -0.078 1.394 7.900 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.193 4.060 7.243 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.381 2.754 8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.449 4.398 7.619 1.00 0.00 H new ATOM 822 N CYS A 53 0.500 2.378 5.061 1.00 0.00 N ATOM 823 CA CYS A 53 0.952 2.449 3.640 1.00 0.00 C ATOM 824 C CYS A 53 1.318 1.059 3.103 1.00 0.00 C ATOM 825 O CYS A 53 2.099 0.343 3.696 1.00 0.00 O ATOM 826 CB CYS A 53 2.190 3.344 3.690 1.00 0.00 C ATOM 827 SG CYS A 53 2.304 4.323 2.174 1.00 0.00 S ATOM 0 H CYS A 53 0.553 1.455 5.493 1.00 0.00 H new ATOM 0 HA CYS A 53 0.175 2.832 2.979 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.138 4.004 4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.086 2.734 3.808 1.00 0.00 H new ATOM 0 HG CYS A 53 1.487 3.842 1.284 1.00 0.00 H new ATOM 833 N LEU A 54 0.779 0.674 1.975 1.00 0.00 N ATOM 834 CA LEU A 54 1.137 -0.665 1.415 1.00 0.00 C ATOM 835 C LEU A 54 2.148 -0.489 0.279 1.00 0.00 C ATOM 836 O LEU A 54 2.001 0.379 -0.557 1.00 0.00 O ATOM 837 CB LEU A 54 -0.177 -1.242 0.873 1.00 0.00 C ATOM 838 CG LEU A 54 -0.067 -2.768 0.746 1.00 0.00 C ATOM 839 CD1 LEU A 54 -1.461 -3.367 0.578 1.00 0.00 C ATOM 840 CD2 LEU A 54 0.774 -3.134 -0.480 1.00 0.00 C ATOM 0 H LEU A 54 0.116 1.219 1.424 1.00 0.00 H new ATOM 0 HA LEU A 54 1.587 -1.321 2.160 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.000 -0.983 1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.403 -0.803 -0.099 1.00 0.00 H new ATOM 0 HG LEU A 54 0.406 -3.162 1.646 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.383 -4.450 0.488 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.071 -3.118 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.926 -2.961 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.846 -4.219 -0.561 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.303 -2.733 -1.377 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.773 -2.711 -0.375 1.00 0.00 H new ATOM 852 N ILE A 55 3.168 -1.307 0.224 1.00 0.00 N ATOM 853 CA ILE A 55 4.160 -1.165 -0.884 1.00 0.00 C ATOM 854 C ILE A 55 3.931 -2.256 -1.927 1.00 0.00 C ATOM 855 O ILE A 55 3.723 -3.408 -1.598 1.00 0.00 O ATOM 856 CB ILE A 55 5.536 -1.350 -0.254 1.00 0.00 C ATOM 857 CG1 ILE A 55 5.758 -0.322 0.845 1.00 0.00 C ATOM 858 CG2 ILE A 55 6.607 -1.168 -1.330 1.00 0.00 C ATOM 859 CD1 ILE A 55 7.139 -0.556 1.452 1.00 0.00 C ATOM 0 H ILE A 55 3.356 -2.058 0.889 1.00 0.00 H new ATOM 0 HA ILE A 55 4.068 -0.196 -1.375 1.00 0.00 H new ATOM 0 HB ILE A 55 5.597 -2.350 0.176 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.688 0.687 0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.987 -0.412 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.594 -1.299 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.462 -1.908 -2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.530 -0.167 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.317 0.172 2.243 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.188 -1.562 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.900 -0.445 0.679 1.00 0.00 H new ATOM 871 N LEU A 56 3.970 -1.911 -3.181 1.00 0.00 N ATOM 872 CA LEU A 56 3.756 -2.944 -4.225 1.00 0.00 C ATOM 873 C LEU A 56 4.747 -2.789 -5.376 1.00 0.00 C ATOM 874 O LEU A 56 5.143 -1.698 -5.742 1.00 0.00 O ATOM 875 CB LEU A 56 2.329 -2.728 -4.710 1.00 0.00 C ATOM 876 CG LEU A 56 1.365 -3.196 -3.628 1.00 0.00 C ATOM 877 CD1 LEU A 56 -0.065 -3.025 -4.121 1.00 0.00 C ATOM 878 CD2 LEU A 56 1.627 -4.671 -3.320 1.00 0.00 C ATOM 0 H LEU A 56 4.139 -0.966 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 56 3.910 -3.948 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.162 -1.674 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.157 -3.281 -5.633 1.00 0.00 H new ATOM 0 HG LEU A 56 1.512 -2.605 -2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.758 -3.359 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.250 -1.974 -4.345 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.212 -3.619 -5.023 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.938 -5.009 -2.546 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.477 -5.263 -4.223 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.653 -4.793 -2.972 1.00 0.00 H new ATOM 890 N VAL A 57 5.126 -3.889 -5.955 1.00 0.00 N ATOM 891 CA VAL A 57 6.078 -3.860 -7.101 1.00 0.00 C ATOM 892 C VAL A 57 5.352 -4.341 -8.360 1.00 0.00 C ATOM 893 O VAL A 57 4.919 -5.472 -8.440 1.00 0.00 O ATOM 894 CB VAL A 57 7.191 -4.838 -6.717 1.00 0.00 C ATOM 895 CG1 VAL A 57 8.063 -5.135 -7.936 1.00 0.00 C ATOM 896 CG2 VAL A 57 8.057 -4.225 -5.615 1.00 0.00 C ATOM 0 H VAL A 57 4.814 -4.821 -5.681 1.00 0.00 H new ATOM 0 HA VAL A 57 6.473 -2.864 -7.303 1.00 0.00 H new ATOM 0 HB VAL A 57 6.742 -5.764 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 57 8.854 -5.832 -7.657 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.451 -5.577 -8.722 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.508 -4.209 -8.300 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.849 -4.923 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.500 -3.296 -5.975 1.00 0.00 H new ATOM 0 HG23 VAL A 57 7.440 -4.018 -4.740 1.00 0.00 H new ATOM 906 N ALA A 58 5.201 -3.493 -9.337 1.00 0.00 N ATOM 907 CA ALA A 58 4.483 -3.919 -10.576 1.00 0.00 C ATOM 908 C ALA A 58 5.275 -4.994 -11.320 1.00 0.00 C ATOM 909 O ALA A 58 4.793 -5.610 -12.249 1.00 0.00 O ATOM 910 CB ALA A 58 4.371 -2.661 -11.427 1.00 0.00 C ATOM 0 H ALA A 58 5.539 -2.531 -9.335 1.00 0.00 H new ATOM 0 HA ALA A 58 3.508 -4.349 -10.348 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.853 -2.896 -12.357 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.811 -1.901 -10.882 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.369 -2.284 -11.653 1.00 0.00 H new ATOM 916 N ALA A 59 6.492 -5.215 -10.924 1.00 0.00 N ATOM 917 CA ALA A 59 7.331 -6.240 -11.608 1.00 0.00 C ATOM 918 C ALA A 59 6.693 -7.636 -11.515 1.00 0.00 C ATOM 919 O ALA A 59 7.051 -8.538 -12.247 1.00 0.00 O ATOM 920 CB ALA A 59 8.659 -6.203 -10.856 1.00 0.00 C ATOM 0 H ALA A 59 6.948 -4.729 -10.152 1.00 0.00 H new ATOM 0 HA ALA A 59 7.444 -6.034 -12.672 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.345 -6.930 -11.292 1.00 0.00 H new ATOM 0 HB2 ALA A 59 9.092 -5.205 -10.931 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.490 -6.448 -9.807 1.00 0.00 H new ATOM 926 N ASN A 60 5.760 -7.827 -10.619 1.00 0.00 N ATOM 927 CA ASN A 60 5.112 -9.172 -10.481 1.00 0.00 C ATOM 928 C ASN A 60 3.952 -9.323 -11.479 1.00 0.00 C ATOM 929 O ASN A 60 3.336 -8.351 -11.869 1.00 0.00 O ATOM 930 CB ASN A 60 4.610 -9.212 -9.036 1.00 0.00 C ATOM 931 CG ASN A 60 5.748 -9.656 -8.116 1.00 0.00 C ATOM 932 OD1 ASN A 60 6.896 -9.654 -8.511 1.00 0.00 O ATOM 933 ND2 ASN A 60 5.482 -10.036 -6.894 1.00 0.00 N ATOM 0 H ASN A 60 5.417 -7.113 -9.976 1.00 0.00 H new ATOM 0 HA ASN A 60 5.800 -9.990 -10.696 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.249 -8.228 -8.737 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.769 -9.900 -8.950 1.00 0.00 H new ATOM 0 HD21 ASN A 60 6.238 -10.330 -6.275 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.519 -10.039 -6.559 1.00 0.00 H new ATOM 940 N PRO A 61 3.708 -10.551 -11.874 1.00 0.00 N ATOM 941 CA PRO A 61 2.628 -10.847 -12.855 1.00 0.00 C ATOM 942 C PRO A 61 1.234 -10.785 -12.218 1.00 0.00 C ATOM 943 O PRO A 61 0.432 -9.934 -12.546 1.00 0.00 O ATOM 944 CB PRO A 61 2.950 -12.262 -13.326 1.00 0.00 C ATOM 945 CG PRO A 61 3.749 -12.881 -12.220 1.00 0.00 C ATOM 946 CD PRO A 61 4.410 -11.765 -11.446 1.00 0.00 C ATOM 0 HA PRO A 61 2.599 -10.119 -13.665 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.039 -12.829 -13.516 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.516 -12.246 -14.257 1.00 0.00 H new ATOM 0 HG2 PRO A 61 3.105 -13.469 -11.567 1.00 0.00 H new ATOM 0 HG3 PRO A 61 4.499 -13.561 -12.625 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.316 -11.919 -10.371 1.00 0.00 H new ATOM 0 HD3 PRO A 61 5.476 -11.706 -11.668 1.00 0.00 H new ATOM 954 N SER A 62 0.932 -11.685 -11.325 1.00 0.00 N ATOM 955 CA SER A 62 -0.419 -11.676 -10.688 1.00 0.00 C ATOM 956 C SER A 62 -0.533 -10.516 -9.698 1.00 0.00 C ATOM 957 O SER A 62 -1.553 -10.327 -9.065 1.00 0.00 O ATOM 958 CB SER A 62 -0.540 -13.018 -9.966 1.00 0.00 C ATOM 959 OG SER A 62 0.604 -13.221 -9.149 1.00 0.00 O ATOM 0 H SER A 62 1.558 -12.425 -11.008 1.00 0.00 H new ATOM 0 HA SER A 62 -1.214 -11.543 -11.422 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.443 -13.035 -9.356 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.630 -13.827 -10.691 1.00 0.00 H new ATOM 0 HG SER A 62 0.526 -14.080 -8.685 1.00 0.00 H new ATOM 965 N PHE A 63 0.503 -9.731 -9.566 1.00 0.00 N ATOM 966 CA PHE A 63 0.444 -8.583 -8.625 1.00 0.00 C ATOM 967 C PHE A 63 -0.873 -7.830 -8.824 1.00 0.00 C ATOM 968 O PHE A 63 -1.592 -7.563 -7.882 1.00 0.00 O ATOM 969 CB PHE A 63 1.663 -7.725 -8.989 1.00 0.00 C ATOM 970 CG PHE A 63 1.417 -6.267 -8.674 1.00 0.00 C ATOM 971 CD1 PHE A 63 1.049 -5.872 -7.381 1.00 0.00 C ATOM 972 CD2 PHE A 63 1.561 -5.307 -9.681 1.00 0.00 C ATOM 973 CE1 PHE A 63 0.826 -4.518 -7.103 1.00 0.00 C ATOM 974 CE2 PHE A 63 1.337 -3.957 -9.404 1.00 0.00 C ATOM 975 CZ PHE A 63 0.969 -3.560 -8.115 1.00 0.00 C ATOM 0 H PHE A 63 1.384 -9.837 -10.069 1.00 0.00 H new ATOM 0 HA PHE A 63 0.472 -8.875 -7.575 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.536 -8.077 -8.439 1.00 0.00 H new ATOM 0 HB3 PHE A 63 1.887 -7.838 -10.050 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.938 -6.610 -6.601 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.847 -5.611 -10.677 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.543 -4.212 -6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.448 -3.220 -10.185 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.795 -2.516 -7.900 1.00 0.00 H new ATOM 985 N ARG A 64 -1.212 -7.501 -10.037 1.00 0.00 N ATOM 986 CA ARG A 64 -2.494 -6.790 -10.260 1.00 0.00 C ATOM 987 C ARG A 64 -3.611 -7.563 -9.558 1.00 0.00 C ATOM 988 O ARG A 64 -4.445 -7.000 -8.876 1.00 0.00 O ATOM 989 CB ARG A 64 -2.738 -6.813 -11.777 1.00 0.00 C ATOM 990 CG ARG A 64 -1.467 -6.474 -12.562 1.00 0.00 C ATOM 991 CD ARG A 64 -0.795 -5.239 -11.971 1.00 0.00 C ATOM 992 NE ARG A 64 0.157 -4.772 -13.024 1.00 0.00 N ATOM 993 CZ ARG A 64 1.263 -5.429 -13.260 1.00 0.00 C ATOM 994 NH1 ARG A 64 1.529 -6.527 -12.608 1.00 0.00 N ATOM 995 NH2 ARG A 64 2.103 -4.989 -14.156 1.00 0.00 N ATOM 0 H ARG A 64 -0.662 -7.692 -10.875 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.469 -5.771 -9.875 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -3.096 -7.799 -12.073 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -3.523 -6.100 -12.030 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.779 -7.319 -12.536 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.714 -6.296 -13.609 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.528 -4.468 -11.732 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -0.272 -5.480 -11.045 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.058 -3.933 -13.563 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.873 -6.877 -11.910 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.393 -7.035 -12.796 1.00 0.00 H new ATOM 0 HH21 ARG A 64 1.897 -4.133 -14.672 1.00 0.00 H new ATOM 0 HH22 ARG A 64 2.966 -5.501 -14.341 1.00 0.00 H new ATOM 1009 N ALA A 65 -3.626 -8.859 -9.723 1.00 0.00 N ATOM 1010 CA ALA A 65 -4.680 -9.686 -9.075 1.00 0.00 C ATOM 1011 C ALA A 65 -4.613 -9.521 -7.557 1.00 0.00 C ATOM 1012 O ALA A 65 -5.596 -9.251 -6.902 1.00 0.00 O ATOM 1013 CB ALA A 65 -4.342 -11.124 -9.472 1.00 0.00 C ATOM 0 H ALA A 65 -2.950 -9.380 -10.281 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.686 -9.400 -9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -5.073 -11.804 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -4.365 -11.217 -10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.347 -11.378 -9.107 1.00 0.00 H new ATOM 1019 N VAL A 66 -3.455 -9.678 -6.993 1.00 0.00 N ATOM 1020 CA VAL A 66 -3.328 -9.528 -5.522 1.00 0.00 C ATOM 1021 C VAL A 66 -3.855 -8.160 -5.087 1.00 0.00 C ATOM 1022 O VAL A 66 -4.577 -8.050 -4.115 1.00 0.00 O ATOM 1023 CB VAL A 66 -1.836 -9.662 -5.259 1.00 0.00 C ATOM 1024 CG1 VAL A 66 -1.503 -9.156 -3.853 1.00 0.00 C ATOM 1025 CG2 VAL A 66 -1.454 -11.136 -5.382 1.00 0.00 C ATOM 0 H VAL A 66 -2.591 -9.904 -7.485 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.904 -10.266 -4.964 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.278 -9.068 -5.982 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.432 -9.256 -3.674 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.789 -8.108 -3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.050 -9.743 -3.116 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.386 -11.252 -5.196 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.015 -11.719 -4.652 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -1.688 -11.490 -6.386 1.00 0.00 H new ATOM 1035 N VAL A 67 -3.525 -7.116 -5.800 1.00 0.00 N ATOM 1036 CA VAL A 67 -4.045 -5.780 -5.402 1.00 0.00 C ATOM 1037 C VAL A 67 -5.567 -5.774 -5.531 1.00 0.00 C ATOM 1038 O VAL A 67 -6.275 -5.295 -4.665 1.00 0.00 O ATOM 1039 CB VAL A 67 -3.411 -4.795 -6.377 1.00 0.00 C ATOM 1040 CG1 VAL A 67 -3.790 -3.370 -5.974 1.00 0.00 C ATOM 1041 CG2 VAL A 67 -1.891 -4.951 -6.335 1.00 0.00 C ATOM 0 H VAL A 67 -2.928 -7.130 -6.627 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.805 -5.522 -4.370 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.770 -4.994 -7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.338 -2.663 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.874 -3.261 -5.999 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.428 -3.169 -4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.434 -4.248 -7.031 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -1.532 -4.748 -5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.622 -5.969 -6.618 1.00 0.00 H new ATOM 1051 N GLN A 68 -6.082 -6.323 -6.599 1.00 0.00 N ATOM 1052 CA GLN A 68 -7.560 -6.367 -6.767 1.00 0.00 C ATOM 1053 C GLN A 68 -8.161 -7.077 -5.553 1.00 0.00 C ATOM 1054 O GLN A 68 -9.225 -6.731 -5.080 1.00 0.00 O ATOM 1055 CB GLN A 68 -7.797 -7.128 -8.090 1.00 0.00 C ATOM 1056 CG GLN A 68 -8.323 -8.554 -7.848 1.00 0.00 C ATOM 1057 CD GLN A 68 -9.000 -9.066 -9.118 1.00 0.00 C ATOM 1058 OE1 GLN A 68 -8.343 -9.539 -10.024 1.00 0.00 O ATOM 1059 NE2 GLN A 68 -10.299 -8.991 -9.222 1.00 0.00 N ATOM 0 H GLN A 68 -5.544 -6.741 -7.358 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.033 -5.386 -6.820 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.511 -6.577 -8.702 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.865 -7.176 -8.653 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -7.502 -9.214 -7.569 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.030 -8.557 -7.019 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.849 -8.594 -8.461 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.764 -9.330 -10.065 1.00 0.00 H new ATOM 1068 N GLN A 69 -7.470 -8.059 -5.034 1.00 0.00 N ATOM 1069 CA GLN A 69 -7.986 -8.773 -3.837 1.00 0.00 C ATOM 1070 C GLN A 69 -8.140 -7.775 -2.693 1.00 0.00 C ATOM 1071 O GLN A 69 -9.139 -7.758 -2.003 1.00 0.00 O ATOM 1072 CB GLN A 69 -6.926 -9.824 -3.508 1.00 0.00 C ATOM 1073 CG GLN A 69 -7.568 -10.962 -2.713 1.00 0.00 C ATOM 1074 CD GLN A 69 -8.555 -11.714 -3.606 1.00 0.00 C ATOM 1075 OE1 GLN A 69 -8.601 -11.493 -4.800 1.00 0.00 O ATOM 1076 NE2 GLN A 69 -9.351 -12.603 -3.075 1.00 0.00 N ATOM 0 H GLN A 69 -6.574 -8.394 -5.389 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.959 -9.236 -4.002 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -6.485 -10.211 -4.426 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -6.118 -9.373 -2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -6.800 -11.643 -2.348 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -8.083 -10.564 -1.839 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -9.312 -12.788 -2.073 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.011 -13.112 -3.663 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.164 -6.925 -2.500 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.276 -5.910 -1.411 1.00 0.00 C ATOM 1087 C LEU A 70 -8.537 -5.084 -1.642 1.00 0.00 C ATOM 1088 O LEU A 70 -9.403 -4.993 -0.794 1.00 0.00 O ATOM 1089 CB LEU A 70 -6.026 -5.032 -1.545 1.00 0.00 C ATOM 1090 CG LEU A 70 -4.875 -5.642 -0.743 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -3.605 -5.636 -1.593 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -4.625 -4.816 0.521 1.00 0.00 C ATOM 0 H LEU A 70 -6.302 -6.890 -3.044 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.341 -6.355 -0.418 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.743 -4.944 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -6.238 -4.025 -1.186 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.137 -6.663 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.784 -6.070 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -3.769 -6.222 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.355 -4.611 -1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.804 -5.256 1.087 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.367 -3.794 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.526 -4.808 1.135 1.00 0.00 H new ATOM 1104 N CYS A 71 -8.657 -4.500 -2.803 1.00 0.00 N ATOM 1105 CA CYS A 71 -9.873 -3.699 -3.119 1.00 0.00 C ATOM 1106 C CYS A 71 -11.109 -4.601 -3.036 1.00 0.00 C ATOM 1107 O CYS A 71 -12.159 -4.200 -2.578 1.00 0.00 O ATOM 1108 CB CYS A 71 -9.667 -3.216 -4.557 1.00 0.00 C ATOM 1109 SG CYS A 71 -8.250 -2.095 -4.629 1.00 0.00 S ATOM 0 H CYS A 71 -7.962 -4.544 -3.549 1.00 0.00 H new ATOM 0 HA CYS A 71 -10.021 -2.868 -2.429 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -9.502 -4.068 -5.217 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -10.563 -2.707 -4.911 1.00 0.00 H new ATOM 0 HG CYS A 71 -7.365 -2.457 -3.748 1.00 0.00 H new ATOM 1115 N PHE A 72 -10.978 -5.823 -3.485 1.00 0.00 N ATOM 1116 CA PHE A 72 -12.127 -6.774 -3.451 1.00 0.00 C ATOM 1117 C PHE A 72 -12.676 -6.905 -2.027 1.00 0.00 C ATOM 1118 O PHE A 72 -13.874 -6.899 -1.819 1.00 0.00 O ATOM 1119 CB PHE A 72 -11.531 -8.096 -3.941 1.00 0.00 C ATOM 1120 CG PHE A 72 -12.630 -9.093 -4.218 1.00 0.00 C ATOM 1121 CD1 PHE A 72 -13.207 -9.166 -5.492 1.00 0.00 C ATOM 1122 CD2 PHE A 72 -13.059 -9.953 -3.204 1.00 0.00 C ATOM 1123 CE1 PHE A 72 -14.219 -10.098 -5.748 1.00 0.00 C ATOM 1124 CE2 PHE A 72 -14.070 -10.889 -3.460 1.00 0.00 C ATOM 1125 CZ PHE A 72 -14.649 -10.961 -4.734 1.00 0.00 C ATOM 0 H PHE A 72 -10.117 -6.205 -3.877 1.00 0.00 H new ATOM 0 HA PHE A 72 -12.966 -6.448 -4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -10.947 -7.927 -4.846 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -10.848 -8.496 -3.191 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -12.871 -8.504 -6.276 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.611 -9.896 -2.223 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -14.668 -10.151 -6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -14.402 -11.554 -2.677 1.00 0.00 H new ATOM 0 HZ PHE A 72 -15.427 -11.683 -4.933 1.00 0.00 H new ATOM 1135 N GLU A 73 -11.823 -7.007 -1.040 1.00 0.00 N ATOM 1136 CA GLU A 73 -12.329 -7.118 0.361 1.00 0.00 C ATOM 1137 C GLU A 73 -12.632 -5.724 0.913 1.00 0.00 C ATOM 1138 O GLU A 73 -13.199 -5.573 1.976 1.00 0.00 O ATOM 1139 CB GLU A 73 -11.200 -7.771 1.159 1.00 0.00 C ATOM 1140 CG GLU A 73 -10.687 -8.997 0.408 1.00 0.00 C ATOM 1141 CD GLU A 73 -10.054 -9.980 1.396 1.00 0.00 C ATOM 1142 OE1 GLU A 73 -9.117 -9.589 2.076 1.00 0.00 O ATOM 1143 OE2 GLU A 73 -10.517 -11.106 1.459 1.00 0.00 O ATOM 0 H GLU A 73 -10.808 -7.018 -1.141 1.00 0.00 H new ATOM 0 HA GLU A 73 -13.248 -7.702 0.419 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.389 -7.059 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.559 -8.060 2.147 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -11.507 -9.479 -0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.954 -8.696 -0.341 1.00 0.00 H new ATOM 1150 N GLY A 74 -12.254 -4.702 0.194 1.00 0.00 N ATOM 1151 CA GLY A 74 -12.520 -3.319 0.675 1.00 0.00 C ATOM 1152 C GLY A 74 -11.299 -2.789 1.420 1.00 0.00 C ATOM 1153 O GLY A 74 -11.389 -1.838 2.174 1.00 0.00 O ATOM 0 H GLY A 74 -11.774 -4.766 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -12.754 -2.669 -0.168 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -13.390 -3.313 1.332 1.00 0.00 H new ATOM 1157 N VAL A 75 -10.154 -3.383 1.220 1.00 0.00 N ATOM 1158 CA VAL A 75 -8.939 -2.887 1.922 1.00 0.00 C ATOM 1159 C VAL A 75 -8.256 -1.827 1.069 1.00 0.00 C ATOM 1160 O VAL A 75 -7.490 -2.133 0.178 1.00 0.00 O ATOM 1161 CB VAL A 75 -8.029 -4.101 2.073 1.00 0.00 C ATOM 1162 CG1 VAL A 75 -6.758 -3.687 2.816 1.00 0.00 C ATOM 1163 CG2 VAL A 75 -8.760 -5.186 2.869 1.00 0.00 C ATOM 0 H VAL A 75 -10.009 -4.184 0.606 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.176 -2.439 2.887 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.765 -4.490 1.089 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.103 -4.551 2.927 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.242 -2.911 2.250 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.021 -3.303 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.112 -6.056 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.020 -4.801 3.855 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.669 -5.475 2.341 1.00 0.00 H new ATOM 1173 N VAL A 76 -8.521 -0.584 1.332 1.00 0.00 N ATOM 1174 CA VAL A 76 -7.878 0.483 0.529 1.00 0.00 C ATOM 1175 C VAL A 76 -6.897 1.257 1.404 1.00 0.00 C ATOM 1176 O VAL A 76 -7.221 1.688 2.494 1.00 0.00 O ATOM 1177 CB VAL A 76 -9.021 1.372 0.048 1.00 0.00 C ATOM 1178 CG1 VAL A 76 -8.523 2.251 -1.097 1.00 0.00 C ATOM 1179 CG2 VAL A 76 -10.172 0.497 -0.454 1.00 0.00 C ATOM 0 H VAL A 76 -9.152 -0.261 2.065 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.309 0.093 -0.315 1.00 0.00 H new ATOM 0 HB VAL A 76 -9.370 1.996 0.871 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.335 2.889 -1.446 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.698 2.872 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.180 1.620 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.989 1.132 -0.798 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.824 -0.124 -1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.525 -0.141 0.357 1.00 0.00 H new ATOM 1189 N VAL A 77 -5.691 1.408 0.941 1.00 0.00 N ATOM 1190 CA VAL A 77 -4.662 2.127 1.743 1.00 0.00 C ATOM 1191 C VAL A 77 -3.745 2.929 0.828 1.00 0.00 C ATOM 1192 O VAL A 77 -3.689 2.688 -0.355 1.00 0.00 O ATOM 1193 CB VAL A 77 -3.848 1.020 2.411 1.00 0.00 C ATOM 1194 CG1 VAL A 77 -4.633 0.427 3.576 1.00 0.00 C ATOM 1195 CG2 VAL A 77 -3.551 -0.076 1.379 1.00 0.00 C ATOM 0 H VAL A 77 -5.370 1.063 0.036 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.113 2.818 2.455 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.913 1.434 2.789 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.046 -0.361 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.845 1.207 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.571 0.010 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.970 -0.870 1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.489 -0.486 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.983 0.348 0.551 1.00 0.00 H new ATOM 1205 N PRO A 78 -3.018 3.825 1.423 1.00 0.00 N ATOM 1206 CA PRO A 78 -2.042 4.638 0.660 1.00 0.00 C ATOM 1207 C PRO A 78 -0.939 3.710 0.153 1.00 0.00 C ATOM 1208 O PRO A 78 0.044 3.468 0.825 1.00 0.00 O ATOM 1209 CB PRO A 78 -1.517 5.626 1.696 1.00 0.00 C ATOM 1210 CG PRO A 78 -1.756 4.956 3.008 1.00 0.00 C ATOM 1211 CD PRO A 78 -3.021 4.160 2.846 1.00 0.00 C ATOM 0 HA PRO A 78 -2.453 5.150 -0.210 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.458 5.835 1.544 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -2.041 6.580 1.636 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.920 4.309 3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -1.857 5.690 3.808 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -3.019 3.267 3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -3.901 4.740 3.122 1.00 0.00 H new ATOM 1219 N ALA A 79 -1.121 3.151 -1.007 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.117 2.193 -1.540 1.00 0.00 C ATOM 1221 C ALA A 79 0.849 2.857 -2.524 1.00 0.00 C ATOM 1222 O ALA A 79 0.449 3.597 -3.401 1.00 0.00 O ATOM 1223 CB ALA A 79 -0.957 1.137 -2.258 1.00 0.00 C ATOM 0 H ALA A 79 -1.925 3.317 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 79 0.508 1.785 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -0.301 0.381 -2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.636 0.666 -1.547 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.535 1.610 -3.052 1.00 0.00 H new ATOM 1229 N ILE A 80 2.120 2.573 -2.398 1.00 0.00 N ATOM 1230 CA ILE A 80 3.117 3.152 -3.341 1.00 0.00 C ATOM 1231 C ILE A 80 3.548 2.071 -4.336 1.00 0.00 C ATOM 1232 O ILE A 80 3.981 1.001 -3.955 1.00 0.00 O ATOM 1233 CB ILE A 80 4.293 3.579 -2.465 1.00 0.00 C ATOM 1234 CG1 ILE A 80 3.772 4.439 -1.308 1.00 0.00 C ATOM 1235 CG2 ILE A 80 5.288 4.391 -3.302 1.00 0.00 C ATOM 1236 CD1 ILE A 80 4.854 4.563 -0.231 1.00 0.00 C ATOM 0 H ILE A 80 2.509 1.963 -1.679 1.00 0.00 H new ATOM 0 HA ILE A 80 2.724 3.991 -3.914 1.00 0.00 H new ATOM 0 HB ILE A 80 4.794 2.696 -2.068 1.00 0.00 H new ATOM 0 HG12 ILE A 80 3.494 5.427 -1.673 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.873 3.991 -0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.127 4.695 -2.676 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.654 3.779 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.792 5.276 -3.699 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.481 5.175 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.111 3.572 0.142 1.00 0.00 H new ATOM 0 HD13 ILE A 80 5.741 5.031 -0.658 1.00 0.00 H new ATOM 1248 N VAL A 81 3.420 2.336 -5.607 1.00 0.00 N ATOM 1249 CA VAL A 81 3.806 1.317 -6.627 1.00 0.00 C ATOM 1250 C VAL A 81 5.204 1.597 -7.177 1.00 0.00 C ATOM 1251 O VAL A 81 5.666 2.721 -7.192 1.00 0.00 O ATOM 1252 CB VAL A 81 2.768 1.447 -7.735 1.00 0.00 C ATOM 1253 CG1 VAL A 81 3.041 0.392 -8.808 1.00 0.00 C ATOM 1254 CG2 VAL A 81 1.372 1.231 -7.147 1.00 0.00 C ATOM 0 H VAL A 81 3.065 3.214 -5.985 1.00 0.00 H new ATOM 0 HA VAL A 81 3.832 0.314 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 81 2.825 2.441 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.301 0.481 -9.603 1.00 0.00 H new ATOM 0 HG12 VAL A 81 4.038 0.544 -9.222 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.979 -0.602 -8.365 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.626 1.323 -7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.313 0.236 -6.706 1.00 0.00 H new ATOM 0 HG23 VAL A 81 1.181 1.980 -6.378 1.00 0.00 H new ATOM 1264 N VAL A 82 5.884 0.576 -7.620 1.00 0.00 N ATOM 1265 CA VAL A 82 7.261 0.771 -8.161 1.00 0.00 C ATOM 1266 C VAL A 82 7.374 0.136 -9.554 1.00 0.00 C ATOM 1267 O VAL A 82 6.742 -0.860 -9.841 1.00 0.00 O ATOM 1268 CB VAL A 82 8.178 0.049 -7.168 1.00 0.00 C ATOM 1269 CG1 VAL A 82 9.598 0.602 -7.284 1.00 0.00 C ATOM 1270 CG2 VAL A 82 7.674 0.267 -5.739 1.00 0.00 C ATOM 0 H VAL A 82 5.546 -0.386 -7.631 1.00 0.00 H new ATOM 0 HA VAL A 82 7.521 1.824 -8.268 1.00 0.00 H new ATOM 0 HB VAL A 82 8.176 -1.017 -7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.248 0.087 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.968 0.445 -8.297 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.592 1.669 -7.061 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.331 -0.249 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.669 1.333 -5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.662 -0.128 -5.646 1.00 0.00 H new ATOM 1280 N GLY A 83 8.175 0.698 -10.421 1.00 0.00 N ATOM 1281 CA GLY A 83 8.319 0.110 -11.785 1.00 0.00 C ATOM 1282 C GLY A 83 7.201 0.610 -12.698 1.00 0.00 C ATOM 1283 O GLY A 83 6.749 -0.095 -13.577 1.00 0.00 O ATOM 0 H GLY A 83 8.733 1.534 -10.245 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.288 0.380 -12.204 1.00 0.00 H new ATOM 0 HA3 GLY A 83 8.289 -0.978 -11.725 1.00 0.00 H new ATOM 1492 N LEU A 98 -3.235 -0.652 -11.273 1.00 0.00 N ATOM 1493 CA LEU A 98 -2.426 -1.268 -10.189 1.00 0.00 C ATOM 1494 C LEU A 98 -3.156 -1.163 -8.858 1.00 0.00 C ATOM 1495 O LEU A 98 -3.240 -2.116 -8.115 1.00 0.00 O ATOM 1496 CB LEU A 98 -1.127 -0.466 -10.162 1.00 0.00 C ATOM 1497 CG LEU A 98 -0.359 -0.696 -11.466 1.00 0.00 C ATOM 1498 CD1 LEU A 98 1.053 -0.131 -11.328 1.00 0.00 C ATOM 1499 CD2 LEU A 98 -0.274 -2.198 -11.753 1.00 0.00 C ATOM 0 HA LEU A 98 -2.244 -2.329 -10.360 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.344 0.595 -10.038 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.518 -0.769 -9.310 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.878 -0.197 -12.284 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.602 -0.294 -12.255 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.999 0.938 -11.121 1.00 0.00 H new ATOM 0 HD13 LEU A 98 1.567 -0.633 -10.509 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.273 -2.361 -12.682 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.245 -2.696 -10.934 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.280 -2.608 -11.848 1.00 0.00 H new ATOM 1511 N TYR A 99 -3.700 -0.021 -8.556 1.00 0.00 N ATOM 1512 CA TYR A 99 -4.434 0.117 -7.273 1.00 0.00 C ATOM 1513 C TYR A 99 -5.470 1.237 -7.391 1.00 0.00 C ATOM 1514 O TYR A 99 -6.028 1.463 -8.446 1.00 0.00 O ATOM 1515 CB TYR A 99 -3.369 0.456 -6.224 1.00 0.00 C ATOM 1516 CG TYR A 99 -3.771 -0.106 -4.877 1.00 0.00 C ATOM 1517 CD1 TYR A 99 -5.117 -0.370 -4.595 1.00 0.00 C ATOM 1518 CD2 TYR A 99 -2.791 -0.363 -3.907 1.00 0.00 C ATOM 1519 CE1 TYR A 99 -5.483 -0.890 -3.348 1.00 0.00 C ATOM 1520 CE2 TYR A 99 -3.159 -0.882 -2.659 1.00 0.00 C ATOM 1521 CZ TYR A 99 -4.505 -1.145 -2.381 1.00 0.00 C ATOM 1522 OH TYR A 99 -4.872 -1.656 -1.153 1.00 0.00 O ATOM 0 H TYR A 99 -3.669 0.817 -9.137 1.00 0.00 H new ATOM 0 HA TYR A 99 -4.974 -0.790 -7.002 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -2.406 0.045 -6.526 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.247 1.537 -6.154 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -5.873 -0.172 -5.340 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -1.752 -0.161 -4.122 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -6.521 -1.094 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -2.404 -1.079 -1.912 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.848 -1.639 -1.070 1.00 0.00 H new ATOM 1532 N HIS A 100 -5.731 1.952 -6.330 1.00 0.00 N ATOM 1533 CA HIS A 100 -6.727 3.054 -6.423 1.00 0.00 C ATOM 1534 C HIS A 100 -6.028 4.335 -6.898 1.00 0.00 C ATOM 1535 O HIS A 100 -4.832 4.356 -7.108 1.00 0.00 O ATOM 1536 CB HIS A 100 -7.300 3.213 -5.014 1.00 0.00 C ATOM 1537 CG HIS A 100 -6.184 3.348 -4.024 1.00 0.00 C ATOM 1538 ND1 HIS A 100 -5.561 4.571 -3.784 1.00 0.00 N ATOM 1539 CD2 HIS A 100 -5.566 2.439 -3.197 1.00 0.00 C ATOM 1540 CE1 HIS A 100 -4.613 4.371 -2.850 1.00 0.00 C ATOM 1541 NE2 HIS A 100 -4.592 3.103 -2.482 1.00 0.00 N ATOM 0 H HIS A 100 -5.303 1.822 -5.414 1.00 0.00 H new ATOM 0 HA HIS A 100 -7.522 2.844 -7.138 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -7.945 4.091 -4.971 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -7.918 2.351 -4.764 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -5.803 1.388 -3.121 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -3.962 5.138 -2.457 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -3.966 2.688 -1.791 1.00 0.00 H new ATOM 1549 N SER A 101 -6.764 5.390 -7.095 1.00 0.00 N ATOM 1550 CA SER A 101 -6.138 6.656 -7.594 1.00 0.00 C ATOM 1551 C SER A 101 -5.258 7.324 -6.530 1.00 0.00 C ATOM 1552 O SER A 101 -4.477 8.202 -6.837 1.00 0.00 O ATOM 1553 CB SER A 101 -7.312 7.563 -7.955 1.00 0.00 C ATOM 1554 OG SER A 101 -6.987 8.307 -9.125 1.00 0.00 O ATOM 0 H SER A 101 -7.770 5.437 -6.934 1.00 0.00 H new ATOM 0 HA SER A 101 -5.481 6.458 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.208 6.967 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.532 8.239 -7.129 1.00 0.00 H new ATOM 0 HG SER A 101 -7.739 8.890 -9.361 1.00 0.00 H new ATOM 1560 N ALA A 102 -5.373 6.934 -5.293 1.00 0.00 N ATOM 1561 CA ALA A 102 -4.533 7.579 -4.240 1.00 0.00 C ATOM 1562 C ALA A 102 -3.168 6.889 -4.125 1.00 0.00 C ATOM 1563 O ALA A 102 -2.212 7.468 -3.647 1.00 0.00 O ATOM 1564 CB ALA A 102 -5.327 7.439 -2.938 1.00 0.00 C ATOM 0 H ALA A 102 -6.005 6.204 -4.964 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.328 8.623 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -4.767 7.893 -2.120 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -6.289 7.942 -3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -5.491 6.383 -2.724 1.00 0.00 H new ATOM 1570 N GLU A 103 -3.061 5.662 -4.558 1.00 0.00 N ATOM 1571 CA GLU A 103 -1.757 4.952 -4.466 1.00 0.00 C ATOM 1572 C GLU A 103 -0.632 5.839 -5.001 1.00 0.00 C ATOM 1573 O GLU A 103 -0.776 6.498 -6.013 1.00 0.00 O ATOM 1574 CB GLU A 103 -1.931 3.717 -5.347 1.00 0.00 C ATOM 1575 CG GLU A 103 -1.987 4.138 -6.816 1.00 0.00 C ATOM 1576 CD GLU A 103 -2.218 2.907 -7.692 1.00 0.00 C ATOM 1577 OE1 GLU A 103 -1.445 1.969 -7.577 1.00 0.00 O ATOM 1578 OE2 GLU A 103 -3.164 2.922 -8.461 1.00 0.00 O ATOM 0 H GLU A 103 -3.821 5.122 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 103 -1.493 4.694 -3.440 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.104 3.025 -5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.845 3.189 -5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -2.789 4.861 -6.968 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -1.057 4.630 -7.100 1.00 0.00 H new ATOM 1585 N LEU A 104 0.489 5.860 -4.329 1.00 0.00 N ATOM 1586 CA LEU A 104 1.622 6.706 -4.799 1.00 0.00 C ATOM 1587 C LEU A 104 2.486 5.921 -5.786 1.00 0.00 C ATOM 1588 O LEU A 104 2.394 4.713 -5.879 1.00 0.00 O ATOM 1589 CB LEU A 104 2.420 7.048 -3.540 1.00 0.00 C ATOM 1590 CG LEU A 104 2.609 8.563 -3.459 1.00 0.00 C ATOM 1591 CD1 LEU A 104 1.240 9.245 -3.376 1.00 0.00 C ATOM 1592 CD2 LEU A 104 3.431 8.912 -2.214 1.00 0.00 C ATOM 0 H LEU A 104 0.668 5.329 -3.477 1.00 0.00 H new ATOM 0 HA LEU A 104 1.280 7.603 -5.315 1.00 0.00 H new ATOM 0 HB2 LEU A 104 1.897 6.687 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.389 6.550 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 104 3.135 8.910 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.375 10.325 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.657 8.999 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 104 0.713 8.897 -2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.565 9.992 -2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.908 8.564 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.406 8.428 -2.274 1.00 0.00 H new ATOM 1604 N HIS A 105 3.320 6.594 -6.530 1.00 0.00 N ATOM 1605 CA HIS A 105 4.176 5.874 -7.516 1.00 0.00 C ATOM 1606 C HIS A 105 5.648 6.238 -7.312 1.00 0.00 C ATOM 1607 O HIS A 105 5.997 7.387 -7.126 1.00 0.00 O ATOM 1608 CB HIS A 105 3.695 6.345 -8.892 1.00 0.00 C ATOM 1609 CG HIS A 105 2.196 6.503 -8.890 1.00 0.00 C ATOM 1610 ND1 HIS A 105 1.578 7.722 -9.126 1.00 0.00 N ATOM 1611 CD2 HIS A 105 1.180 5.604 -8.675 1.00 0.00 C ATOM 1612 CE1 HIS A 105 0.249 7.525 -9.047 1.00 0.00 C ATOM 1613 NE2 HIS A 105 -0.048 6.251 -8.774 1.00 0.00 N ATOM 0 H HIS A 105 3.446 7.606 -6.499 1.00 0.00 H new ATOM 0 HA HIS A 105 4.098 4.792 -7.407 1.00 0.00 H new ATOM 0 HB2 HIS A 105 4.168 7.293 -9.146 1.00 0.00 H new ATOM 0 HB3 HIS A 105 3.992 5.626 -9.655 1.00 0.00 H new ATOM 0 HD1 HIS A 105 2.046 8.607 -9.323 1.00 0.00 H new ATOM 0 HD2 HIS A 105 1.314 4.554 -8.461 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -0.488 8.302 -9.187 1.00 0.00 H new ATOM 1621 N LEU A 106 6.514 5.264 -7.355 1.00 0.00 N ATOM 1622 CA LEU A 106 7.966 5.545 -7.174 1.00 0.00 C ATOM 1623 C LEU A 106 8.771 4.863 -8.281 1.00 0.00 C ATOM 1624 O LEU A 106 8.510 3.735 -8.650 1.00 0.00 O ATOM 1625 CB LEU A 106 8.320 4.955 -5.807 1.00 0.00 C ATOM 1626 CG LEU A 106 9.736 5.381 -5.407 1.00 0.00 C ATOM 1627 CD1 LEU A 106 9.903 6.892 -5.595 1.00 0.00 C ATOM 1628 CD2 LEU A 106 9.968 5.032 -3.937 1.00 0.00 C ATOM 0 H LEU A 106 6.278 4.283 -7.508 1.00 0.00 H new ATOM 0 HA LEU A 106 8.192 6.610 -7.224 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.604 5.294 -5.058 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.254 3.868 -5.842 1.00 0.00 H new ATOM 0 HG LEU A 106 10.458 4.859 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.913 7.185 -5.308 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.734 7.149 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 106 9.181 7.418 -4.970 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.974 5.333 -3.646 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.240 5.557 -3.319 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.856 3.957 -3.796 1.00 0.00 H new ATOM 1640 N GLY A 107 9.752 5.534 -8.813 1.00 0.00 N ATOM 1641 CA GLY A 107 10.569 4.913 -9.892 1.00 0.00 C ATOM 1642 C GLY A 107 11.402 3.772 -9.302 1.00 0.00 C ATOM 1643 O GLY A 107 11.766 3.793 -8.143 1.00 0.00 O ATOM 0 H GLY A 107 10.023 6.481 -8.550 1.00 0.00 H new ATOM 0 HA2 GLY A 107 9.921 4.535 -10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 107 11.222 5.659 -10.345 1.00 0.00 H new ATOM 1647 N ILE A 108 11.709 2.781 -10.093 1.00 0.00 N ATOM 1648 CA ILE A 108 12.514 1.643 -9.597 1.00 0.00 C ATOM 1649 C ILE A 108 13.842 2.150 -9.051 1.00 0.00 C ATOM 1650 O ILE A 108 14.337 1.683 -8.046 1.00 0.00 O ATOM 1651 CB ILE A 108 12.744 0.802 -10.842 1.00 0.00 C ATOM 1652 CG1 ILE A 108 11.425 0.174 -11.272 1.00 0.00 C ATOM 1653 CG2 ILE A 108 13.755 -0.287 -10.537 1.00 0.00 C ATOM 1654 CD1 ILE A 108 11.572 -0.412 -12.679 1.00 0.00 C ATOM 0 H ILE A 108 11.430 2.716 -11.072 1.00 0.00 H new ATOM 0 HA ILE A 108 12.030 1.089 -8.793 1.00 0.00 H new ATOM 0 HB ILE A 108 13.126 1.431 -11.646 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.136 -0.608 -10.569 1.00 0.00 H new ATOM 0 HG13 ILE A 108 10.633 0.922 -11.259 1.00 0.00 H new ATOM 0 HG21 ILE A 108 13.920 -0.890 -11.430 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.696 0.167 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.376 -0.921 -9.735 1.00 0.00 H new ATOM 0 HD11 ILE A 108 10.628 -0.861 -12.986 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.841 0.381 -13.377 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.352 -1.173 -12.676 1.00 0.00 H new ATOM 1666 N HIS A 109 14.419 3.104 -9.718 1.00 0.00 N ATOM 1667 CA HIS A 109 15.718 3.656 -9.257 1.00 0.00 C ATOM 1668 C HIS A 109 15.483 4.800 -8.268 1.00 0.00 C ATOM 1669 O HIS A 109 16.403 5.482 -7.862 1.00 0.00 O ATOM 1670 CB HIS A 109 16.387 4.168 -10.528 1.00 0.00 C ATOM 1671 CG HIS A 109 15.481 5.167 -11.196 1.00 0.00 C ATOM 1672 ND1 HIS A 109 15.425 6.492 -10.797 1.00 0.00 N ATOM 1673 CD2 HIS A 109 14.588 5.051 -12.234 1.00 0.00 C ATOM 1674 CE1 HIS A 109 14.526 7.117 -11.581 1.00 0.00 C ATOM 1675 NE2 HIS A 109 13.986 6.285 -12.474 1.00 0.00 N ATOM 0 H HIS A 109 14.045 3.528 -10.567 1.00 0.00 H new ATOM 0 HA HIS A 109 16.330 2.917 -8.740 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.344 4.631 -10.288 1.00 0.00 H new ATOM 0 HB3 HIS A 109 16.594 3.338 -11.204 1.00 0.00 H new ATOM 0 HD2 HIS A 109 14.384 4.142 -12.781 1.00 0.00 H new ATOM 0 HE1 HIS A 109 14.273 8.164 -11.497 1.00 0.00 H new ATOM 0 HE2 HIS A 109 13.284 6.505 -13.180 1.00 0.00 H new ATOM 1683 N GLN A 110 14.257 5.011 -7.879 1.00 0.00 N ATOM 1684 CA GLN A 110 13.958 6.106 -6.915 1.00 0.00 C ATOM 1685 C GLN A 110 13.671 5.520 -5.534 1.00 0.00 C ATOM 1686 O GLN A 110 12.998 6.124 -4.722 1.00 0.00 O ATOM 1687 CB GLN A 110 12.712 6.802 -7.466 1.00 0.00 C ATOM 1688 CG GLN A 110 12.945 7.207 -8.922 1.00 0.00 C ATOM 1689 CD GLN A 110 11.863 8.195 -9.348 1.00 0.00 C ATOM 1690 OE1 GLN A 110 10.691 7.963 -9.129 1.00 0.00 O ATOM 1691 NE2 GLN A 110 12.209 9.299 -9.950 1.00 0.00 N ATOM 0 H GLN A 110 13.448 4.472 -8.187 1.00 0.00 H new ATOM 0 HA GLN A 110 14.793 6.798 -6.807 1.00 0.00 H new ATOM 0 HB2 GLN A 110 11.852 6.136 -7.398 1.00 0.00 H new ATOM 0 HB3 GLN A 110 12.481 7.683 -6.867 1.00 0.00 H new ATOM 0 HG2 GLN A 110 13.931 7.659 -9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 110 12.924 6.327 -9.565 1.00 0.00 H new ATOM 0 HE21 GLN A 110 13.193 9.493 -10.133 1.00 0.00 H new ATOM 0 HE22 GLN A 110 11.495 9.969 -10.237 1.00 0.00 H new ATOM 1700 N LEU A 111 14.169 4.345 -5.261 1.00 0.00 N ATOM 1701 CA LEU A 111 13.910 3.729 -3.932 1.00 0.00 C ATOM 1702 C LEU A 111 14.622 4.536 -2.850 1.00 0.00 C ATOM 1703 O LEU A 111 15.814 4.427 -2.637 1.00 0.00 O ATOM 1704 CB LEU A 111 14.458 2.298 -4.026 1.00 0.00 C ATOM 1705 CG LEU A 111 13.492 1.364 -4.797 1.00 0.00 C ATOM 1706 CD1 LEU A 111 12.999 0.266 -3.855 1.00 0.00 C ATOM 1707 CD2 LEU A 111 12.274 2.129 -5.342 1.00 0.00 C ATOM 0 H LEU A 111 14.740 3.789 -5.897 1.00 0.00 H new ATOM 0 HA LEU A 111 12.852 3.718 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 111 15.427 2.311 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 111 14.622 1.904 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 111 14.037 0.940 -5.640 1.00 0.00 H new ATOM 0 HD11 LEU A 111 12.318 -0.395 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 111 13.850 -0.309 -3.489 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.477 0.718 -3.012 1.00 0.00 H new ATOM 0 HD21 LEU A 111 11.620 1.439 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 111 11.727 2.579 -4.514 1.00 0.00 H new ATOM 0 HD23 LEU A 111 12.610 2.911 -6.023 1.00 0.00 H new ATOM 1719 N GLU A 112 13.873 5.361 -2.188 1.00 0.00 N ATOM 1720 CA GLU A 112 14.425 6.235 -1.116 1.00 0.00 C ATOM 1721 C GLU A 112 13.373 7.287 -0.768 1.00 0.00 C ATOM 1722 O GLU A 112 13.319 7.790 0.334 1.00 0.00 O ATOM 1723 CB GLU A 112 15.664 6.901 -1.718 1.00 0.00 C ATOM 1724 CG GLU A 112 15.365 7.323 -3.155 1.00 0.00 C ATOM 1725 CD GLU A 112 16.360 8.399 -3.595 1.00 0.00 C ATOM 1726 OE1 GLU A 112 17.472 8.389 -3.093 1.00 0.00 O ATOM 1727 OE2 GLU A 112 15.995 9.215 -4.427 1.00 0.00 O ATOM 0 H GLU A 112 12.872 5.472 -2.347 1.00 0.00 H new ATOM 0 HA GLU A 112 14.680 5.686 -0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.949 7.769 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.507 6.211 -1.698 1.00 0.00 H new ATOM 0 HG2 GLU A 112 15.430 6.461 -3.818 1.00 0.00 H new ATOM 0 HG3 GLU A 112 14.347 7.704 -3.228 1.00 0.00 H new ATOM 1734 N GLN A 113 12.530 7.607 -1.718 1.00 0.00 N ATOM 1735 CA GLN A 113 11.452 8.610 -1.471 1.00 0.00 C ATOM 1736 C GLN A 113 10.280 7.945 -0.744 1.00 0.00 C ATOM 1737 O GLN A 113 9.337 8.588 -0.351 1.00 0.00 O ATOM 1738 CB GLN A 113 11.012 9.069 -2.861 1.00 0.00 C ATOM 1739 CG GLN A 113 12.058 10.021 -3.435 1.00 0.00 C ATOM 1740 CD GLN A 113 11.600 10.519 -4.808 1.00 0.00 C ATOM 1741 OE1 GLN A 113 10.648 11.267 -4.908 1.00 0.00 O ATOM 1742 NE2 GLN A 113 12.242 10.131 -5.876 1.00 0.00 N ATOM 0 H GLN A 113 12.543 7.214 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 113 11.793 9.440 -0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 113 10.888 8.208 -3.518 1.00 0.00 H new ATOM 0 HB3 GLN A 113 10.044 9.567 -2.802 1.00 0.00 H new ATOM 0 HG2 GLN A 113 12.205 10.865 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 113 13.018 9.512 -3.523 1.00 0.00 H new ATOM 0 HE21 GLN A 113 13.041 9.503 -5.791 1.00 0.00 H new ATOM 0 HE22 GLN A 113 11.945 10.456 -6.796 1.00 0.00 H new ATOM 1751 N LEU A 114 10.336 6.653 -0.579 1.00 0.00 N ATOM 1752 CA LEU A 114 9.228 5.919 0.101 1.00 0.00 C ATOM 1753 C LEU A 114 8.796 6.580 1.419 1.00 0.00 C ATOM 1754 O LEU A 114 7.615 6.710 1.663 1.00 0.00 O ATOM 1755 CB LEU A 114 9.792 4.523 0.354 1.00 0.00 C ATOM 1756 CG LEU A 114 9.795 3.743 -0.958 1.00 0.00 C ATOM 1757 CD1 LEU A 114 11.195 3.196 -1.234 1.00 0.00 C ATOM 1758 CD2 LEU A 114 8.801 2.584 -0.861 1.00 0.00 C ATOM 0 H LEU A 114 11.110 6.066 -0.889 1.00 0.00 H new ATOM 0 HA LEU A 114 8.328 5.911 -0.514 1.00 0.00 H new ATOM 0 HB2 LEU A 114 10.804 4.592 0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 114 9.190 4.003 1.100 1.00 0.00 H new ATOM 0 HG LEU A 114 9.505 4.406 -1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 114 11.190 2.640 -2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 114 11.901 4.023 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 114 11.494 2.534 -0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 114 8.801 2.025 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 114 9.091 1.923 -0.044 1.00 0.00 H new ATOM 0 HD23 LEU A 114 7.802 2.977 -0.673 1.00 0.00 H new ATOM 1770 N PRO A 115 9.735 6.964 2.246 1.00 0.00 N ATOM 1771 CA PRO A 115 9.367 7.591 3.541 1.00 0.00 C ATOM 1772 C PRO A 115 8.689 8.931 3.274 1.00 0.00 C ATOM 1773 O PRO A 115 7.605 9.196 3.754 1.00 0.00 O ATOM 1774 CB PRO A 115 10.703 7.744 4.266 1.00 0.00 C ATOM 1775 CG PRO A 115 11.721 7.764 3.172 1.00 0.00 C ATOM 1776 CD PRO A 115 11.187 6.873 2.078 1.00 0.00 C ATOM 0 HA PRO A 115 8.662 7.012 4.137 1.00 0.00 H new ATOM 0 HB2 PRO A 115 10.733 8.662 4.853 1.00 0.00 H new ATOM 0 HB3 PRO A 115 10.877 6.918 4.956 1.00 0.00 H new ATOM 0 HG2 PRO A 115 11.877 8.778 2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 115 12.685 7.403 3.531 1.00 0.00 H new ATOM 0 HD2 PRO A 115 11.500 7.216 1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 115 11.541 5.848 2.186 1.00 0.00 H new ATOM 1784 N TYR A 116 9.293 9.756 2.474 1.00 0.00 N ATOM 1785 CA TYR A 116 8.648 11.046 2.139 1.00 0.00 C ATOM 1786 C TYR A 116 7.411 10.737 1.288 1.00 0.00 C ATOM 1787 O TYR A 116 6.437 11.462 1.289 1.00 0.00 O ATOM 1788 CB TYR A 116 9.734 11.832 1.383 1.00 0.00 C ATOM 1789 CG TYR A 116 9.256 12.245 0.012 1.00 0.00 C ATOM 1790 CD1 TYR A 116 8.575 13.453 -0.155 1.00 0.00 C ATOM 1791 CD2 TYR A 116 9.496 11.415 -1.088 1.00 0.00 C ATOM 1792 CE1 TYR A 116 8.132 13.833 -1.425 1.00 0.00 C ATOM 1793 CE2 TYR A 116 9.054 11.795 -2.358 1.00 0.00 C ATOM 1794 CZ TYR A 116 8.371 13.005 -2.526 1.00 0.00 C ATOM 1795 OH TYR A 116 7.931 13.380 -3.780 1.00 0.00 O ATOM 0 H TYR A 116 10.201 9.593 2.040 1.00 0.00 H new ATOM 0 HA TYR A 116 8.301 11.630 2.991 1.00 0.00 H new ATOM 0 HB2 TYR A 116 10.011 12.717 1.956 1.00 0.00 H new ATOM 0 HB3 TYR A 116 10.631 11.219 1.289 1.00 0.00 H new ATOM 0 HD1 TYR A 116 8.391 14.092 0.696 1.00 0.00 H new ATOM 0 HD2 TYR A 116 10.022 10.481 -0.956 1.00 0.00 H new ATOM 0 HE1 TYR A 116 7.605 14.767 -1.556 1.00 0.00 H new ATOM 0 HE2 TYR A 116 9.239 11.156 -3.209 1.00 0.00 H new ATOM 0 HH TYR A 116 8.180 12.693 -4.433 1.00 0.00 H new ATOM 1805 N GLN A 117 7.445 9.632 0.590 1.00 0.00 N ATOM 1806 CA GLN A 117 6.278 9.215 -0.239 1.00 0.00 C ATOM 1807 C GLN A 117 5.183 8.696 0.686 1.00 0.00 C ATOM 1808 O GLN A 117 4.011 8.945 0.492 1.00 0.00 O ATOM 1809 CB GLN A 117 6.805 8.090 -1.131 1.00 0.00 C ATOM 1810 CG GLN A 117 7.485 8.687 -2.367 1.00 0.00 C ATOM 1811 CD GLN A 117 6.425 9.067 -3.403 1.00 0.00 C ATOM 1812 OE1 GLN A 117 5.605 8.250 -3.774 1.00 0.00 O ATOM 1813 NE2 GLN A 117 6.407 10.279 -3.888 1.00 0.00 N ATOM 0 H GLN A 117 8.241 8.995 0.559 1.00 0.00 H new ATOM 0 HA GLN A 117 5.860 10.029 -0.831 1.00 0.00 H new ATOM 0 HB2 GLN A 117 7.513 7.474 -0.576 1.00 0.00 H new ATOM 0 HB3 GLN A 117 5.985 7.439 -1.434 1.00 0.00 H new ATOM 0 HG2 GLN A 117 8.065 9.566 -2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.183 7.967 -2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 117 7.096 10.964 -3.576 1.00 0.00 H new ATOM 0 HE22 GLN A 117 5.704 10.541 -4.579 1.00 0.00 H new ATOM 1822 N VAL A 118 5.576 7.976 1.697 1.00 0.00 N ATOM 1823 CA VAL A 118 4.585 7.430 2.663 1.00 0.00 C ATOM 1824 C VAL A 118 3.806 8.577 3.312 1.00 0.00 C ATOM 1825 O VAL A 118 2.592 8.576 3.328 1.00 0.00 O ATOM 1826 CB VAL A 118 5.425 6.672 3.698 1.00 0.00 C ATOM 1827 CG1 VAL A 118 4.653 6.543 5.014 1.00 0.00 C ATOM 1828 CG2 VAL A 118 5.738 5.273 3.162 1.00 0.00 C ATOM 0 H VAL A 118 6.548 7.741 1.897 1.00 0.00 H new ATOM 0 HA VAL A 118 3.848 6.780 2.193 1.00 0.00 H new ATOM 0 HB VAL A 118 6.349 7.221 3.879 1.00 0.00 H new ATOM 0 HG11 VAL A 118 5.260 6.003 5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 118 4.423 7.536 5.400 1.00 0.00 H new ATOM 0 HG13 VAL A 118 3.725 5.998 4.840 1.00 0.00 H new ATOM 0 HG21 VAL A 118 6.335 4.728 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 118 4.807 4.736 2.982 1.00 0.00 H new ATOM 0 HG23 VAL A 118 6.295 5.357 2.229 1.00 0.00 H new ATOM 1838 N ASP A 119 4.483 9.572 3.826 1.00 0.00 N ATOM 1839 CA ASP A 119 3.741 10.706 4.436 1.00 0.00 C ATOM 1840 C ASP A 119 2.859 11.339 3.364 1.00 0.00 C ATOM 1841 O ASP A 119 1.718 11.686 3.598 1.00 0.00 O ATOM 1842 CB ASP A 119 4.816 11.686 4.902 1.00 0.00 C ATOM 1843 CG ASP A 119 5.692 11.012 5.960 1.00 0.00 C ATOM 1844 OD1 ASP A 119 6.017 9.849 5.780 1.00 0.00 O ATOM 1845 OD2 ASP A 119 6.023 11.670 6.933 1.00 0.00 O ATOM 0 H ASP A 119 5.500 9.645 3.848 1.00 0.00 H new ATOM 0 HA ASP A 119 3.100 10.405 5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 119 5.426 12.003 4.056 1.00 0.00 H new ATOM 0 HB3 ASP A 119 4.353 12.582 5.314 1.00 0.00 H new ATOM 1850 N ALA A 120 3.384 11.461 2.177 1.00 0.00 N ATOM 1851 CA ALA A 120 2.589 12.038 1.061 1.00 0.00 C ATOM 1852 C ALA A 120 1.454 11.077 0.708 1.00 0.00 C ATOM 1853 O ALA A 120 0.320 11.475 0.519 1.00 0.00 O ATOM 1854 CB ALA A 120 3.579 12.155 -0.097 1.00 0.00 C ATOM 0 H ALA A 120 4.335 11.184 1.932 1.00 0.00 H new ATOM 0 HA ALA A 120 2.139 13.000 1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.074 12.574 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 120 4.403 12.807 0.193 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.968 11.167 -0.345 1.00 0.00 H new ATOM 1860 N ALA A 121 1.757 9.808 0.629 1.00 0.00 N ATOM 1861 CA ALA A 121 0.705 8.805 0.305 1.00 0.00 C ATOM 1862 C ALA A 121 -0.370 8.815 1.390 1.00 0.00 C ATOM 1863 O ALA A 121 -1.529 8.557 1.131 1.00 0.00 O ATOM 1864 CB ALA A 121 1.434 7.461 0.264 1.00 0.00 C ATOM 0 H ALA A 121 2.690 9.424 0.776 1.00 0.00 H new ATOM 0 HA ALA A 121 0.203 9.013 -0.640 1.00 0.00 H new ATOM 0 HB1 ALA A 121 0.723 6.668 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 121 2.209 7.491 -0.502 1.00 0.00 H new ATOM 0 HB3 ALA A 121 1.890 7.265 1.234 1.00 0.00 H new ATOM 1870 N LEU A 122 -0.003 9.135 2.602 1.00 0.00 N ATOM 1871 CA LEU A 122 -1.022 9.184 3.688 1.00 0.00 C ATOM 1872 C LEU A 122 -1.979 10.332 3.401 1.00 0.00 C ATOM 1873 O LEU A 122 -3.165 10.146 3.218 1.00 0.00 O ATOM 1874 CB LEU A 122 -0.241 9.474 4.970 1.00 0.00 C ATOM 1875 CG LEU A 122 0.586 8.254 5.369 1.00 0.00 C ATOM 1876 CD1 LEU A 122 1.685 8.693 6.333 1.00 0.00 C ATOM 1877 CD2 LEU A 122 -0.317 7.233 6.063 1.00 0.00 C ATOM 0 H LEU A 122 0.950 9.363 2.885 1.00 0.00 H new ATOM 0 HA LEU A 122 -1.596 8.261 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 122 0.413 10.333 4.820 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -0.930 9.734 5.774 1.00 0.00 H new ATOM 0 HG LEU A 122 1.030 7.803 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 122 2.281 7.828 6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 122 2.325 9.427 5.845 1.00 0.00 H new ATOM 0 HD13 LEU A 122 1.234 9.138 7.220 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.272 6.361 6.349 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -0.756 7.682 6.954 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -1.111 6.927 5.382 1.00 0.00 H new ATOM 1889 N ALA A 123 -1.460 11.521 3.339 1.00 0.00 N ATOM 1890 CA ALA A 123 -2.323 12.689 3.044 1.00 0.00 C ATOM 1891 C ALA A 123 -2.987 12.486 1.686 1.00 0.00 C ATOM 1892 O ALA A 123 -4.159 12.746 1.507 1.00 0.00 O ATOM 1893 CB ALA A 123 -1.363 13.875 2.989 1.00 0.00 C ATOM 0 H ALA A 123 -0.473 11.734 3.480 1.00 0.00 H new ATOM 0 HA ALA A 123 -3.111 12.836 3.783 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -1.922 14.786 2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -0.856 13.978 3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -0.624 13.709 2.205 1.00 0.00 H new ATOM 1899 N GLU A 124 -2.236 12.020 0.726 1.00 0.00 N ATOM 1900 CA GLU A 124 -2.813 11.792 -0.623 1.00 0.00 C ATOM 1901 C GLU A 124 -3.933 10.757 -0.558 1.00 0.00 C ATOM 1902 O GLU A 124 -4.865 10.795 -1.335 1.00 0.00 O ATOM 1903 CB GLU A 124 -1.656 11.264 -1.465 1.00 0.00 C ATOM 1904 CG GLU A 124 -2.102 11.158 -2.922 1.00 0.00 C ATOM 1905 CD GLU A 124 -1.709 12.434 -3.669 1.00 0.00 C ATOM 1906 OE1 GLU A 124 -2.426 13.413 -3.547 1.00 0.00 O ATOM 1907 OE2 GLU A 124 -0.697 12.411 -4.349 1.00 0.00 O ATOM 0 H GLU A 124 -1.247 11.788 0.821 1.00 0.00 H new ATOM 0 HA GLU A 124 -3.245 12.702 -1.040 1.00 0.00 H new ATOM 0 HB2 GLU A 124 -0.797 11.930 -1.383 1.00 0.00 H new ATOM 0 HB3 GLU A 124 -1.339 10.288 -1.097 1.00 0.00 H new ATOM 0 HG2 GLU A 124 -1.639 10.291 -3.393 1.00 0.00 H new ATOM 0 HG3 GLU A 124 -3.181 11.011 -2.974 1.00 0.00 H new ATOM 1914 N PHE A 125 -3.849 9.821 0.351 1.00 0.00 N ATOM 1915 CA PHE A 125 -4.914 8.779 0.436 1.00 0.00 C ATOM 1916 C PHE A 125 -5.987 9.169 1.455 1.00 0.00 C ATOM 1917 O PHE A 125 -7.165 8.974 1.231 1.00 0.00 O ATOM 1918 CB PHE A 125 -4.197 7.510 0.888 1.00 0.00 C ATOM 1919 CG PHE A 125 -5.217 6.417 1.098 1.00 0.00 C ATOM 1920 CD1 PHE A 125 -5.566 5.574 0.034 1.00 0.00 C ATOM 1921 CD2 PHE A 125 -5.814 6.245 2.354 1.00 0.00 C ATOM 1922 CE1 PHE A 125 -6.512 4.560 0.224 1.00 0.00 C ATOM 1923 CE2 PHE A 125 -6.762 5.231 2.545 1.00 0.00 C ATOM 1924 CZ PHE A 125 -7.110 4.388 1.480 1.00 0.00 C ATOM 0 H PHE A 125 -3.096 9.733 1.033 1.00 0.00 H new ATOM 0 HA PHE A 125 -5.423 8.651 -0.519 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -3.466 7.204 0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -3.649 7.696 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -5.105 5.707 -0.933 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -5.544 6.894 3.174 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -6.781 3.911 -0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -7.224 5.099 3.512 1.00 0.00 H new ATOM 0 HZ PHE A 125 -7.840 3.605 1.628 1.00 0.00 H new ATOM 1934 N LEU A 126 -5.598 9.711 2.576 1.00 0.00 N ATOM 1935 CA LEU A 126 -6.617 10.094 3.593 1.00 0.00 C ATOM 1936 C LEU A 126 -7.613 11.075 2.979 1.00 0.00 C ATOM 1937 O LEU A 126 -8.802 11.009 3.223 1.00 0.00 O ATOM 1938 CB LEU A 126 -5.814 10.743 4.719 1.00 0.00 C ATOM 1939 CG LEU A 126 -4.960 9.671 5.394 1.00 0.00 C ATOM 1940 CD1 LEU A 126 -4.088 10.311 6.476 1.00 0.00 C ATOM 1941 CD2 LEU A 126 -5.877 8.625 6.027 1.00 0.00 C ATOM 0 H LEU A 126 -4.629 9.904 2.830 1.00 0.00 H new ATOM 0 HA LEU A 126 -7.199 9.247 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -5.180 11.536 4.322 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.485 11.204 5.444 1.00 0.00 H new ATOM 0 HG LEU A 126 -4.317 9.196 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -3.480 9.543 6.955 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -3.437 11.059 6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -4.725 10.788 7.222 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -5.273 7.857 6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -6.517 9.103 6.768 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -6.495 8.168 5.254 1.00 0.00 H new ATOM 1953 N ARG A 127 -7.135 11.977 2.173 1.00 0.00 N ATOM 1954 CA ARG A 127 -8.048 12.958 1.524 1.00 0.00 C ATOM 1955 C ARG A 127 -8.776 12.305 0.341 1.00 0.00 C ATOM 1956 O ARG A 127 -9.910 12.621 0.048 1.00 0.00 O ATOM 1957 CB ARG A 127 -7.135 14.086 1.042 1.00 0.00 C ATOM 1958 CG ARG A 127 -7.968 15.341 0.794 1.00 0.00 C ATOM 1959 CD ARG A 127 -7.036 16.515 0.511 1.00 0.00 C ATOM 1960 NE ARG A 127 -6.442 16.213 -0.820 1.00 0.00 N ATOM 1961 CZ ARG A 127 -5.238 16.627 -1.122 1.00 0.00 C ATOM 1962 NH1 ARG A 127 -4.541 17.330 -0.268 1.00 0.00 N ATOM 1963 NH2 ARG A 127 -4.735 16.345 -2.293 1.00 0.00 N ATOM 0 H ARG A 127 -6.149 12.079 1.934 1.00 0.00 H new ATOM 0 HA ARG A 127 -8.818 13.321 2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 127 -6.365 14.289 1.786 1.00 0.00 H new ATOM 0 HB3 ARG A 127 -6.623 13.789 0.127 1.00 0.00 H new ATOM 0 HG2 ARG A 127 -8.641 15.184 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 127 -8.590 15.556 1.663 1.00 0.00 H new ATOM 0 HD2 ARG A 127 -7.581 17.459 0.497 1.00 0.00 H new ATOM 0 HD3 ARG A 127 -6.266 16.603 1.278 1.00 0.00 H new ATOM 0 HE ARG A 127 -6.979 15.678 -1.503 1.00 0.00 H new ATOM 0 HH11 ARG A 127 -4.935 17.561 0.644 1.00 0.00 H new ATOM 0 HH12 ARG A 127 -3.603 17.648 -0.514 1.00 0.00 H new ATOM 0 HH21 ARG A 127 -5.280 15.805 -2.966 1.00 0.00 H new ATOM 0 HH22 ARG A 127 -3.797 16.664 -2.536 1.00 0.00 H new ATOM 1977 N LEU A 128 -8.128 11.398 -0.342 1.00 0.00 N ATOM 1978 CA LEU A 128 -8.777 10.723 -1.507 1.00 0.00 C ATOM 1979 C LEU A 128 -9.726 9.622 -1.036 1.00 0.00 C ATOM 1980 O LEU A 128 -10.687 9.302 -1.701 1.00 0.00 O ATOM 1981 CB LEU A 128 -7.622 10.136 -2.314 1.00 0.00 C ATOM 1982 CG LEU A 128 -7.297 11.064 -3.483 1.00 0.00 C ATOM 1983 CD1 LEU A 128 -6.976 12.462 -2.952 1.00 0.00 C ATOM 1984 CD2 LEU A 128 -6.090 10.511 -4.247 1.00 0.00 C ATOM 0 H LEU A 128 -7.175 11.094 -0.143 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.379 11.414 -2.098 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.745 10.013 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.889 9.146 -2.684 1.00 0.00 H new ATOM 0 HG LEU A 128 -8.154 11.124 -4.153 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -6.744 13.124 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -7.837 12.851 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -6.118 12.409 -2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -5.855 11.171 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -5.232 10.453 -3.578 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -6.324 9.516 -4.625 1.00 0.00 H new ATOM 1996 N ALA A 129 -9.468 9.044 0.102 1.00 0.00 N ATOM 1997 CA ALA A 129 -10.364 7.962 0.606 1.00 0.00 C ATOM 1998 C ALA A 129 -11.763 8.520 0.898 1.00 0.00 C ATOM 1999 O ALA A 129 -11.888 9.562 1.506 1.00 0.00 O ATOM 2000 CB ALA A 129 -9.714 7.492 1.903 1.00 0.00 C ATOM 0 H ALA A 129 -8.678 9.271 0.706 1.00 0.00 H new ATOM 0 HA ALA A 129 -10.482 7.157 -0.119 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -10.312 6.693 2.341 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -8.711 7.121 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -9.654 8.326 2.603 1.00 0.00 H new ATOM 2006 N PRO A 130 -12.779 7.804 0.479 1.00 0.00 N ATOM 2007 CA PRO A 130 -12.598 6.526 -0.267 1.00 0.00 C ATOM 2008 C PRO A 130 -12.097 6.800 -1.691 1.00 0.00 C ATOM 2009 O PRO A 130 -12.362 7.838 -2.262 1.00 0.00 O ATOM 2010 CB PRO A 130 -14.005 5.936 -0.304 1.00 0.00 C ATOM 2011 CG PRO A 130 -14.911 7.114 -0.175 1.00 0.00 C ATOM 2012 CD PRO A 130 -14.194 8.121 0.679 1.00 0.00 C ATOM 0 HA PRO A 130 -11.866 5.863 0.195 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -14.185 5.398 -1.235 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -14.159 5.227 0.509 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -15.143 7.533 -1.154 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -15.858 6.825 0.280 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -14.423 9.141 0.372 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -14.480 8.032 1.727 1.00 0.00 H new ATOM 2020 N VAL A 131 -11.379 5.872 -2.271 1.00 0.00 N ATOM 2021 CA VAL A 131 -10.856 6.078 -3.657 1.00 0.00 C ATOM 2022 C VAL A 131 -11.470 5.056 -4.628 1.00 0.00 C ATOM 2023 O VAL A 131 -12.022 4.055 -4.218 1.00 0.00 O ATOM 2024 CB VAL A 131 -9.347 5.863 -3.532 1.00 0.00 C ATOM 2025 CG1 VAL A 131 -8.719 7.050 -2.802 1.00 0.00 C ATOM 2026 CG2 VAL A 131 -9.080 4.599 -2.721 1.00 0.00 C ATOM 0 H VAL A 131 -11.132 4.979 -1.844 1.00 0.00 H new ATOM 0 HA VAL A 131 -11.104 7.063 -4.051 1.00 0.00 H new ATOM 0 HB VAL A 131 -8.916 5.768 -4.529 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -7.644 6.895 -2.714 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -8.909 7.965 -3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -9.156 7.138 -1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -8.005 4.445 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -9.516 4.705 -1.727 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -9.529 3.742 -3.224 1.00 0.00 H new ATOM 2036 N GLU A 132 -11.377 5.300 -5.913 1.00 0.00 N ATOM 2037 CA GLU A 132 -11.962 4.341 -6.899 1.00 0.00 C ATOM 2038 C GLU A 132 -11.123 3.064 -6.963 1.00 0.00 C ATOM 2039 O GLU A 132 -10.133 2.997 -7.666 1.00 0.00 O ATOM 2040 CB GLU A 132 -11.913 5.054 -8.253 1.00 0.00 C ATOM 2041 CG GLU A 132 -12.800 6.299 -8.232 1.00 0.00 C ATOM 2042 CD GLU A 132 -12.607 7.072 -9.539 1.00 0.00 C ATOM 2043 OE1 GLU A 132 -11.511 7.561 -9.759 1.00 0.00 O ATOM 2044 OE2 GLU A 132 -13.558 7.154 -10.300 1.00 0.00 O ATOM 0 H GLU A 132 -10.923 6.118 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 132 -12.977 4.057 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.886 5.335 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -12.245 4.377 -9.040 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -13.846 6.014 -8.114 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -12.544 6.929 -7.381 1.00 0.00 H new ATOM 2051 N THR A 133 -11.512 2.048 -6.246 1.00 0.00 N ATOM 2052 CA THR A 133 -10.736 0.776 -6.283 1.00 0.00 C ATOM 2053 C THR A 133 -11.398 -0.224 -7.238 1.00 0.00 C ATOM 2054 O THR A 133 -11.790 -1.306 -6.847 1.00 0.00 O ATOM 2055 CB THR A 133 -10.750 0.251 -4.845 1.00 0.00 C ATOM 2056 OG1 THR A 133 -11.938 0.681 -4.195 1.00 0.00 O ATOM 2057 CG2 THR A 133 -9.522 0.785 -4.104 1.00 0.00 C ATOM 0 H THR A 133 -12.331 2.042 -5.638 1.00 0.00 H new ATOM 0 HA THR A 133 -9.719 0.926 -6.644 1.00 0.00 H new ATOM 0 HB THR A 133 -10.723 -0.839 -4.848 1.00 0.00 H new ATOM 0 HG1 THR A 133 -11.948 0.344 -3.275 1.00 0.00 H new ATOM 0 HG21 THR A 133 -9.526 0.415 -3.079 1.00 0.00 H new ATOM 0 HG22 THR A 133 -8.617 0.447 -4.609 1.00 0.00 H new ATOM 0 HG23 THR A 133 -9.547 1.875 -4.096 1.00 0.00 H new ATOM 2065 N MET A 134 -11.528 0.128 -8.492 1.00 0.00 N ATOM 2066 CA MET A 134 -12.163 -0.807 -9.469 1.00 0.00 C ATOM 2067 C MET A 134 -11.378 -2.121 -9.515 1.00 0.00 C ATOM 2068 O MET A 134 -11.911 -3.165 -9.835 1.00 0.00 O ATOM 2069 CB MET A 134 -12.086 -0.095 -10.825 1.00 0.00 C ATOM 2070 CG MET A 134 -12.838 1.237 -10.759 1.00 0.00 C ATOM 2071 SD MET A 134 -12.854 2.004 -12.400 1.00 0.00 S ATOM 2072 CE MET A 134 -13.988 0.839 -13.197 1.00 0.00 C ATOM 0 H MET A 134 -11.223 1.020 -8.881 1.00 0.00 H new ATOM 0 HA MET A 134 -13.191 -1.048 -9.198 1.00 0.00 H new ATOM 0 HB2 MET A 134 -11.044 0.079 -11.095 1.00 0.00 H new ATOM 0 HB3 MET A 134 -12.516 -0.727 -11.602 1.00 0.00 H new ATOM 0 HG2 MET A 134 -13.858 1.074 -10.412 1.00 0.00 H new ATOM 0 HG3 MET A 134 -12.359 1.902 -10.040 1.00 0.00 H new ATOM 0 HE1 MET A 134 -14.510 1.339 -14.013 1.00 0.00 H new ATOM 0 HE2 MET A 134 -13.424 -0.006 -13.591 1.00 0.00 H new ATOM 0 HE3 MET A 134 -14.714 0.481 -12.467 1.00 0.00 H new ATOM 2082 N ALA A 135 -10.110 -2.068 -9.207 1.00 0.00 N ATOM 2083 CA ALA A 135 -9.272 -3.302 -9.231 1.00 0.00 C ATOM 2084 C ALA A 135 -9.232 -3.888 -10.645 1.00 0.00 C ATOM 2085 O ALA A 135 -9.586 -3.177 -11.572 1.00 0.00 O ATOM 2086 CB ALA A 135 -9.948 -4.274 -8.258 1.00 0.00 C ATOM 2087 OXT ALA A 135 -8.844 -5.037 -10.778 1.00 0.00 O ATOM 0 H ALA A 135 -9.615 -1.217 -8.938 1.00 0.00 H new ATOM 0 HA ALA A 135 -8.240 -3.101 -8.943 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -9.384 -5.206 -8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -9.976 -3.831 -7.262 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -10.965 -4.477 -8.594 1.00 0.00 H new