USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 488 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 NoAdj-H: A 122 HIS HE2 : A 122 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 126 HIS HE2 : A 126 HIS NE2 : A 163 ZNZN :(H bumps) USER MOD NoAdj-H: A 150 HIS HE2 : A 150 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD NoAdj-H: A 155 HIS HE2 : A 155 HIS NE2 : A 162 ZNZN :(H bumps) USER MOD Single : A 103 SER OG : rot 25:sc= 0.254 USER MOD Single : A 110 THR OG1 : rot -9:sc= 0.391 USER MOD Single : A 116 GLN : amide:sc= 0.0238 X(o=0.024,f=0) USER MOD Single : A 118 HIS : no HD1:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 SER OG : rot 42:sc= 0.0365 USER MOD Single : A 127 THR OG1 : rot 180:sc= 0 USER MOD Single : A 128 ASN : amide:sc=-0.00254 X(o=-0.0025,f=0) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 ASN : amide:sc= -0.47 K(o=-0.47,f=-1.3) USER MOD Single : A 142 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 GLN : amide:sc= -1.12 K(o=-1.1,f=-7.1!) USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 156 SER OG : rot 65:sc= 0.0124 USER MOD Single : A 158 ASN : amide:sc= -0.937 K(o=-0.94,f=0.16!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 102 -28.944 34.216 4.998 1.00 0.00 N ATOM 2 CA ARG A 102 -27.963 34.004 3.895 1.00 0.00 C ATOM 3 C ARG A 102 -26.580 33.719 4.485 1.00 0.00 C ATOM 4 O ARG A 102 -25.567 34.036 3.890 1.00 0.00 O ATOM 5 CB ARG A 102 -27.897 35.260 3.024 1.00 0.00 C ATOM 6 CG ARG A 102 -28.881 35.126 1.859 1.00 0.00 C ATOM 7 CD ARG A 102 -28.967 36.454 1.104 1.00 0.00 C ATOM 8 NE ARG A 102 -30.361 36.660 0.619 1.00 0.00 N ATOM 9 CZ ARG A 102 -30.682 36.332 -0.602 1.00 0.00 C ATOM 10 NH1 ARG A 102 -30.338 37.104 -1.596 1.00 0.00 N ATOM 11 NH2 ARG A 102 -31.348 35.233 -0.829 1.00 0.00 N ATOM 0 HA ARG A 102 -28.279 33.156 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -28.139 36.141 3.619 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -26.885 35.400 2.645 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -28.556 34.333 1.185 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -29.866 34.844 2.232 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -28.673 37.276 1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -28.274 36.452 0.262 1.00 0.00 H new ATOM 0 HE ARG A 102 -31.064 37.058 1.242 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -29.818 37.963 -1.418 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -30.589 36.848 -2.551 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -31.618 34.630 -0.052 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -31.599 34.977 -1.784 1.00 0.00 H new ATOM 25 N SER A 103 -26.533 33.122 5.650 1.00 0.00 N ATOM 26 CA SER A 103 -25.218 32.812 6.283 1.00 0.00 C ATOM 27 C SER A 103 -25.250 31.406 6.877 1.00 0.00 C ATOM 28 O SER A 103 -26.159 31.048 7.604 1.00 0.00 O ATOM 29 CB SER A 103 -24.922 33.828 7.386 1.00 0.00 C ATOM 30 OG SER A 103 -26.007 33.859 8.303 1.00 0.00 O ATOM 0 H SER A 103 -27.350 32.836 6.189 1.00 0.00 H new ATOM 0 HA SER A 103 -24.436 32.866 5.526 1.00 0.00 H new ATOM 0 HB2 SER A 103 -24.001 33.561 7.904 1.00 0.00 H new ATOM 0 HB3 SER A 103 -24.769 34.817 6.953 1.00 0.00 H new ATOM 0 HG SER A 103 -26.483 33.003 8.276 1.00 0.00 H new ATOM 36 N PHE A 104 -24.256 30.610 6.575 1.00 0.00 N ATOM 37 CA PHE A 104 -24.207 29.226 7.119 1.00 0.00 C ATOM 38 C PHE A 104 -23.474 29.254 8.459 1.00 0.00 C ATOM 39 O PHE A 104 -22.260 29.251 8.517 1.00 0.00 O ATOM 40 CB PHE A 104 -23.465 28.317 6.138 1.00 0.00 C ATOM 41 CG PHE A 104 -24.241 28.236 4.845 1.00 0.00 C ATOM 42 CD1 PHE A 104 -24.038 29.194 3.844 1.00 0.00 C ATOM 43 CD2 PHE A 104 -25.165 27.203 4.647 1.00 0.00 C ATOM 44 CE1 PHE A 104 -24.759 29.119 2.646 1.00 0.00 C ATOM 45 CE2 PHE A 104 -25.886 27.128 3.450 1.00 0.00 C ATOM 46 CZ PHE A 104 -25.683 28.086 2.449 1.00 0.00 C ATOM 0 H PHE A 104 -23.474 30.864 5.972 1.00 0.00 H new ATOM 0 HA PHE A 104 -25.217 28.842 7.260 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -22.464 28.706 5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -23.345 27.322 6.566 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -23.325 29.991 3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -25.321 26.464 5.418 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -24.602 29.858 1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -26.599 26.331 3.298 1.00 0.00 H new ATOM 0 HZ PHE A 104 -26.239 28.028 1.525 1.00 0.00 H new ATOM 56 N VAL A 105 -24.214 29.300 9.534 1.00 0.00 N ATOM 57 CA VAL A 105 -23.585 29.347 10.890 1.00 0.00 C ATOM 58 C VAL A 105 -23.697 27.964 11.549 1.00 0.00 C ATOM 59 O VAL A 105 -24.696 27.280 11.430 1.00 0.00 O ATOM 60 CB VAL A 105 -24.267 30.451 11.750 1.00 0.00 C ATOM 61 CG1 VAL A 105 -25.783 30.447 11.528 1.00 0.00 C ATOM 62 CG2 VAL A 105 -23.970 30.262 13.252 1.00 0.00 C ATOM 0 H VAL A 105 -25.234 29.307 9.533 1.00 0.00 H new ATOM 0 HA VAL A 105 -22.528 29.600 10.805 1.00 0.00 H new ATOM 0 HB VAL A 105 -23.855 31.409 11.433 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -26.242 31.225 12.138 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -25.997 30.636 10.476 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -26.190 29.477 11.812 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -24.462 31.050 13.822 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -24.344 29.291 13.578 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -22.894 30.311 13.419 1.00 0.00 H new ATOM 72 N CYS A 106 -22.663 27.563 12.240 1.00 0.00 N ATOM 73 CA CYS A 106 -22.665 26.236 12.920 1.00 0.00 C ATOM 74 C CYS A 106 -23.740 26.221 14.008 1.00 0.00 C ATOM 75 O CYS A 106 -23.870 27.155 14.774 1.00 0.00 O ATOM 76 CB CYS A 106 -21.293 25.996 13.555 1.00 0.00 C ATOM 77 SG CYS A 106 -21.118 24.250 13.996 1.00 0.00 S ATOM 0 H CYS A 106 -21.808 28.105 12.363 1.00 0.00 H new ATOM 0 HA CYS A 106 -22.876 25.452 12.193 1.00 0.00 H new ATOM 0 HB2 CYS A 106 -20.505 26.286 12.860 1.00 0.00 H new ATOM 0 HB3 CYS A 106 -21.179 26.618 14.443 1.00 0.00 H new ATOM 82 N GLU A 107 -24.508 25.164 14.080 1.00 0.00 N ATOM 83 CA GLU A 107 -25.577 25.078 15.118 1.00 0.00 C ATOM 84 C GLU A 107 -24.975 24.683 16.475 1.00 0.00 C ATOM 85 O GLU A 107 -25.644 24.741 17.490 1.00 0.00 O ATOM 86 CB GLU A 107 -26.607 24.027 14.696 1.00 0.00 C ATOM 87 CG GLU A 107 -27.260 24.452 13.380 1.00 0.00 C ATOM 88 CD GLU A 107 -28.441 25.380 13.673 1.00 0.00 C ATOM 89 OE1 GLU A 107 -29.537 24.875 13.843 1.00 0.00 O ATOM 90 OE2 GLU A 107 -28.227 26.580 13.726 1.00 0.00 O ATOM 0 H GLU A 107 -24.440 24.355 13.463 1.00 0.00 H new ATOM 0 HA GLU A 107 -26.056 26.052 15.215 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -26.125 23.057 14.578 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -27.365 23.914 15.471 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -26.532 24.961 12.748 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -27.601 23.574 12.831 1.00 0.00 H new ATOM 97 N VAL A 108 -23.725 24.276 16.506 1.00 0.00 N ATOM 98 CA VAL A 108 -23.099 23.874 17.800 1.00 0.00 C ATOM 99 C VAL A 108 -22.516 25.105 18.499 1.00 0.00 C ATOM 100 O VAL A 108 -22.834 25.383 19.641 1.00 0.00 O ATOM 101 CB VAL A 108 -21.983 22.858 17.536 1.00 0.00 C ATOM 102 CG1 VAL A 108 -21.474 22.296 18.866 1.00 0.00 C ATOM 103 CG2 VAL A 108 -22.525 21.712 16.678 1.00 0.00 C ATOM 0 H VAL A 108 -23.116 24.207 15.690 1.00 0.00 H new ATOM 0 HA VAL A 108 -23.857 23.423 18.440 1.00 0.00 H new ATOM 0 HB VAL A 108 -21.165 23.352 17.012 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -20.680 21.574 18.676 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -21.085 23.109 19.480 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -22.293 21.805 19.391 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -21.730 20.990 16.491 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -23.345 21.221 17.202 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -22.886 22.108 15.729 1.00 0.00 H new ATOM 113 N CYS A 109 -21.668 25.841 17.827 1.00 0.00 N ATOM 114 CA CYS A 109 -21.063 27.055 18.456 1.00 0.00 C ATOM 115 C CYS A 109 -21.740 28.332 17.932 1.00 0.00 C ATOM 116 O CYS A 109 -21.323 29.427 18.254 1.00 0.00 O ATOM 117 CB CYS A 109 -19.562 27.102 18.143 1.00 0.00 C ATOM 118 SG CYS A 109 -19.301 27.100 16.350 1.00 0.00 S ATOM 0 H CYS A 109 -21.368 25.654 16.870 1.00 0.00 H new ATOM 0 HA CYS A 109 -21.212 27.000 19.534 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -19.119 27.996 18.582 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -19.062 26.244 18.592 1.00 0.00 H new ATOM 123 N THR A 110 -22.779 28.208 17.129 1.00 0.00 N ATOM 124 CA THR A 110 -23.486 29.419 16.586 1.00 0.00 C ATOM 125 C THR A 110 -22.477 30.411 15.983 1.00 0.00 C ATOM 126 O THR A 110 -22.595 31.610 16.156 1.00 0.00 O ATOM 127 CB THR A 110 -24.276 30.109 17.708 1.00 0.00 C ATOM 128 OG1 THR A 110 -23.378 30.735 18.613 1.00 0.00 O ATOM 129 CG2 THR A 110 -25.124 29.077 18.457 1.00 0.00 C ATOM 0 H THR A 110 -23.168 27.315 16.826 1.00 0.00 H new ATOM 0 HA THR A 110 -24.171 29.095 15.802 1.00 0.00 H new ATOM 0 HB THR A 110 -24.931 30.863 17.271 1.00 0.00 H new ATOM 0 HG1 THR A 110 -22.460 30.466 18.401 1.00 0.00 H new ATOM 0 HG21 THR A 110 -25.682 29.572 19.252 1.00 0.00 H new ATOM 0 HG22 THR A 110 -25.821 28.606 17.763 1.00 0.00 H new ATOM 0 HG23 THR A 110 -24.474 28.317 18.890 1.00 0.00 H new ATOM 137 N ARG A 111 -21.492 29.916 15.275 1.00 0.00 N ATOM 138 CA ARG A 111 -20.478 30.821 14.657 1.00 0.00 C ATOM 139 C ARG A 111 -20.935 31.199 13.251 1.00 0.00 C ATOM 140 O ARG A 111 -21.293 30.351 12.457 1.00 0.00 O ATOM 141 CB ARG A 111 -19.123 30.113 14.592 1.00 0.00 C ATOM 142 CG ARG A 111 -18.059 31.072 14.043 1.00 0.00 C ATOM 143 CD ARG A 111 -16.759 30.908 14.834 1.00 0.00 C ATOM 144 NE ARG A 111 -16.369 29.470 14.866 1.00 0.00 N ATOM 145 CZ ARG A 111 -15.500 29.050 15.745 1.00 0.00 C ATOM 146 NH1 ARG A 111 -15.882 28.785 16.964 1.00 0.00 N ATOM 147 NH2 ARG A 111 -14.250 28.895 15.406 1.00 0.00 N ATOM 0 H ARG A 111 -21.347 28.922 15.099 1.00 0.00 H new ATOM 0 HA ARG A 111 -20.376 31.723 15.261 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -18.836 29.767 15.585 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -19.194 29.231 13.955 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -17.882 30.868 12.987 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -18.412 32.101 14.114 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -15.966 31.500 14.376 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -16.890 31.282 15.849 1.00 0.00 H new ATOM 0 HE ARG A 111 -16.781 28.815 14.202 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -16.859 28.906 17.230 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -15.203 28.457 17.651 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -13.951 29.102 14.453 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -13.572 28.567 16.094 1.00 0.00 H new ATOM 161 N ALA A 112 -20.925 32.466 12.942 1.00 0.00 N ATOM 162 CA ALA A 112 -21.365 32.913 11.589 1.00 0.00 C ATOM 163 C ALA A 112 -20.172 32.949 10.636 1.00 0.00 C ATOM 164 O ALA A 112 -19.283 33.770 10.769 1.00 0.00 O ATOM 165 CB ALA A 112 -21.980 34.311 11.688 1.00 0.00 C ATOM 0 H ALA A 112 -20.630 33.214 13.570 1.00 0.00 H new ATOM 0 HA ALA A 112 -22.107 32.212 11.206 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -22.302 34.638 10.699 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -22.839 34.284 12.358 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -21.238 35.008 12.077 1.00 0.00 H new ATOM 171 N PHE A 113 -20.154 32.068 9.668 1.00 0.00 N ATOM 172 CA PHE A 113 -19.032 32.047 8.690 1.00 0.00 C ATOM 173 C PHE A 113 -19.477 32.797 7.414 1.00 0.00 C ATOM 174 O PHE A 113 -19.552 34.012 7.419 1.00 0.00 O ATOM 175 CB PHE A 113 -18.650 30.589 8.390 1.00 0.00 C ATOM 176 CG PHE A 113 -17.845 30.030 9.538 1.00 0.00 C ATOM 177 CD1 PHE A 113 -16.476 30.302 9.632 1.00 0.00 C ATOM 178 CD2 PHE A 113 -18.469 29.236 10.509 1.00 0.00 C ATOM 179 CE1 PHE A 113 -15.730 29.782 10.696 1.00 0.00 C ATOM 180 CE2 PHE A 113 -17.723 28.716 11.573 1.00 0.00 C ATOM 181 CZ PHE A 113 -16.353 28.989 11.666 1.00 0.00 C ATOM 0 H PHE A 113 -20.873 31.361 9.515 1.00 0.00 H new ATOM 0 HA PHE A 113 -18.151 32.546 9.094 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -19.549 29.991 8.238 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -18.072 30.536 7.468 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -15.995 30.914 8.883 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -19.526 29.025 10.437 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -14.673 29.993 10.768 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -18.204 28.104 12.322 1.00 0.00 H new ATOM 0 HZ PHE A 113 -15.777 28.587 12.487 1.00 0.00 H new ATOM 191 N ALA A 114 -19.783 32.108 6.331 1.00 0.00 N ATOM 192 CA ALA A 114 -20.228 32.817 5.094 1.00 0.00 C ATOM 193 C ALA A 114 -20.940 31.829 4.168 1.00 0.00 C ATOM 194 O ALA A 114 -22.079 32.028 3.791 1.00 0.00 O ATOM 195 CB ALA A 114 -19.017 33.410 4.378 1.00 0.00 C ATOM 0 H ALA A 114 -19.742 31.091 6.257 1.00 0.00 H new ATOM 0 HA ALA A 114 -20.914 33.620 5.364 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -19.345 33.927 3.476 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -18.514 34.116 5.038 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -18.327 32.611 4.108 1.00 0.00 H new ATOM 201 N ARG A 115 -20.270 30.767 3.799 1.00 0.00 N ATOM 202 CA ARG A 115 -20.892 29.757 2.895 1.00 0.00 C ATOM 203 C ARG A 115 -20.976 28.409 3.613 1.00 0.00 C ATOM 204 O ARG A 115 -20.577 28.279 4.755 1.00 0.00 O ATOM 205 CB ARG A 115 -20.038 29.611 1.633 1.00 0.00 C ATOM 206 CG ARG A 115 -19.917 30.968 0.938 1.00 0.00 C ATOM 207 CD ARG A 115 -21.122 31.182 0.020 1.00 0.00 C ATOM 208 NE ARG A 115 -21.293 32.639 -0.244 1.00 0.00 N ATOM 209 CZ ARG A 115 -20.431 33.273 -0.990 1.00 0.00 C ATOM 210 NH1 ARG A 115 -20.431 33.094 -2.283 1.00 0.00 N ATOM 211 NH2 ARG A 115 -19.568 34.087 -0.445 1.00 0.00 N ATOM 0 H ARG A 115 -19.314 30.557 4.087 1.00 0.00 H new ATOM 0 HA ARG A 115 -21.895 30.084 2.621 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -19.049 29.234 1.892 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -20.489 28.884 0.958 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -19.866 31.765 1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -18.994 31.011 0.360 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -20.978 30.646 -0.918 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -22.022 30.777 0.483 1.00 0.00 H new ATOM 0 HE ARG A 115 -22.085 33.141 0.159 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -21.105 32.458 -2.710 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -19.757 33.590 -2.866 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -19.567 34.228 0.565 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -18.894 34.582 -1.029 1.00 0.00 H new ATOM 225 N GLN A 116 -21.497 27.407 2.950 1.00 0.00 N ATOM 226 CA GLN A 116 -21.615 26.061 3.585 1.00 0.00 C ATOM 227 C GLN A 116 -20.350 25.244 3.305 1.00 0.00 C ATOM 228 O GLN A 116 -19.973 24.389 4.084 1.00 0.00 O ATOM 229 CB GLN A 116 -22.829 25.331 3.006 1.00 0.00 C ATOM 230 CG GLN A 116 -23.107 24.072 3.828 1.00 0.00 C ATOM 231 CD GLN A 116 -24.399 23.415 3.335 1.00 0.00 C ATOM 232 OE1 GLN A 116 -24.364 22.524 2.510 1.00 0.00 O ATOM 233 NE2 GLN A 116 -25.545 23.821 3.810 1.00 0.00 N ATOM 0 H GLN A 116 -21.846 27.465 1.993 1.00 0.00 H new ATOM 0 HA GLN A 116 -21.737 26.180 4.662 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -23.700 25.986 3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -22.645 25.065 1.965 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -22.274 23.374 3.737 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -23.196 24.327 4.884 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -25.574 24.569 4.503 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -26.412 23.390 3.489 1.00 0.00 H new ATOM 242 N GLU A 117 -19.700 25.498 2.198 1.00 0.00 N ATOM 243 CA GLU A 117 -18.462 24.734 1.860 1.00 0.00 C ATOM 244 C GLU A 117 -17.382 25.007 2.911 1.00 0.00 C ATOM 245 O GLU A 117 -16.588 24.142 3.233 1.00 0.00 O ATOM 246 CB GLU A 117 -17.958 25.162 0.478 1.00 0.00 C ATOM 247 CG GLU A 117 -17.719 26.675 0.456 1.00 0.00 C ATOM 248 CD GLU A 117 -18.095 27.234 -0.917 1.00 0.00 C ATOM 249 OE1 GLU A 117 -19.273 27.230 -1.235 1.00 0.00 O ATOM 250 OE2 GLU A 117 -17.198 27.658 -1.628 1.00 0.00 O ATOM 0 H GLU A 117 -19.974 26.202 1.513 1.00 0.00 H new ATOM 0 HA GLU A 117 -18.688 23.668 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -17.034 24.636 0.239 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -18.687 24.889 -0.285 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -18.313 27.158 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -16.673 26.891 0.674 1.00 0.00 H new ATOM 257 N HIS A 118 -17.348 26.201 3.445 1.00 0.00 N ATOM 258 CA HIS A 118 -16.321 26.538 4.476 1.00 0.00 C ATOM 259 C HIS A 118 -16.756 25.977 5.830 1.00 0.00 C ATOM 260 O HIS A 118 -15.958 25.445 6.578 1.00 0.00 O ATOM 261 CB HIS A 118 -16.178 28.057 4.576 1.00 0.00 C ATOM 262 CG HIS A 118 -15.204 28.540 3.537 1.00 0.00 C ATOM 263 ND1 HIS A 118 -13.888 28.848 3.844 1.00 0.00 N ATOM 264 CD2 HIS A 118 -15.339 28.776 2.190 1.00 0.00 C ATOM 265 CE1 HIS A 118 -13.288 29.247 2.706 1.00 0.00 C ATOM 266 NE2 HIS A 118 -14.129 29.221 1.669 1.00 0.00 N ATOM 0 H HIS A 118 -17.989 26.959 3.211 1.00 0.00 H new ATOM 0 HA HIS A 118 -15.364 26.101 4.192 1.00 0.00 H new ATOM 0 HB2 HIS A 118 -17.147 28.534 4.431 1.00 0.00 H new ATOM 0 HB3 HIS A 118 -15.832 28.335 5.571 1.00 0.00 H new ATOM 0 HD2 HIS A 118 -16.247 28.637 1.622 1.00 0.00 H new ATOM 0 HE1 HIS A 118 -12.254 29.551 2.640 1.00 0.00 H new ATOM 0 HE2 HIS A 118 -13.927 29.474 0.702 1.00 0.00 H new ATOM 274 N LEU A 119 -18.019 26.097 6.149 1.00 0.00 N ATOM 275 CA LEU A 119 -18.525 25.581 7.449 1.00 0.00 C ATOM 276 C LEU A 119 -18.326 24.064 7.526 1.00 0.00 C ATOM 277 O LEU A 119 -18.238 23.500 8.599 1.00 0.00 O ATOM 278 CB LEU A 119 -20.021 25.901 7.565 1.00 0.00 C ATOM 279 CG LEU A 119 -20.361 26.315 8.999 1.00 0.00 C ATOM 280 CD1 LEU A 119 -21.859 26.606 9.099 1.00 0.00 C ATOM 281 CD2 LEU A 119 -20.004 25.183 9.965 1.00 0.00 C ATOM 0 H LEU A 119 -18.725 26.535 5.557 1.00 0.00 H new ATOM 0 HA LEU A 119 -17.976 26.054 8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -20.284 26.703 6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -20.610 25.029 7.280 1.00 0.00 H new ATOM 0 HG LEU A 119 -19.791 27.207 9.260 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -22.105 26.901 10.119 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -22.119 27.414 8.415 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -22.422 25.711 8.835 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -20.248 25.484 10.984 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -20.572 24.290 9.704 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -18.938 24.968 9.896 1.00 0.00 H new ATOM 293 N LYS A 120 -18.265 23.400 6.397 1.00 0.00 N ATOM 294 CA LYS A 120 -18.087 21.916 6.400 1.00 0.00 C ATOM 295 C LYS A 120 -16.808 21.538 7.156 1.00 0.00 C ATOM 296 O LYS A 120 -16.813 20.653 7.992 1.00 0.00 O ATOM 297 CB LYS A 120 -17.994 21.412 4.957 1.00 0.00 C ATOM 298 CG LYS A 120 -19.397 21.319 4.356 1.00 0.00 C ATOM 299 CD LYS A 120 -20.090 20.051 4.868 1.00 0.00 C ATOM 300 CE LYS A 120 -19.584 18.829 4.093 1.00 0.00 C ATOM 301 NZ LYS A 120 -20.709 18.237 3.314 1.00 0.00 N ATOM 0 H LYS A 120 -18.331 23.824 5.472 1.00 0.00 H new ATOM 0 HA LYS A 120 -18.941 21.457 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 120 -17.377 22.087 4.364 1.00 0.00 H new ATOM 0 HB3 LYS A 120 -17.511 20.435 4.932 1.00 0.00 H new ATOM 0 HG2 LYS A 120 -19.979 22.199 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 120 -19.337 21.299 3.268 1.00 0.00 H new ATOM 0 HD2 LYS A 120 -19.894 19.924 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 120 -21.170 20.144 4.752 1.00 0.00 H new ATOM 0 HE2 LYS A 120 -18.775 19.119 3.422 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -19.176 18.090 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -20.368 17.408 2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -21.467 17.946 3.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 -21.078 18.943 2.646 1.00 0.00 H new ATOM 315 N ARG A 121 -15.716 22.200 6.869 1.00 0.00 N ATOM 316 CA ARG A 121 -14.437 21.883 7.570 1.00 0.00 C ATOM 317 C ARG A 121 -14.566 22.255 9.049 1.00 0.00 C ATOM 318 O ARG A 121 -13.976 21.630 9.910 1.00 0.00 O ATOM 319 CB ARG A 121 -13.294 22.685 6.941 1.00 0.00 C ATOM 320 CG ARG A 121 -11.952 22.194 7.494 1.00 0.00 C ATOM 321 CD ARG A 121 -11.493 23.116 8.626 1.00 0.00 C ATOM 322 NE ARG A 121 -10.444 22.429 9.431 1.00 0.00 N ATOM 323 CZ ARG A 121 -10.286 22.730 10.691 1.00 0.00 C ATOM 324 NH1 ARG A 121 -11.058 22.188 11.593 1.00 0.00 N ATOM 325 NH2 ARG A 121 -9.356 23.574 11.048 1.00 0.00 N ATOM 0 H ARG A 121 -15.656 22.948 6.178 1.00 0.00 H new ATOM 0 HA ARG A 121 -14.225 20.818 7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -13.313 22.575 5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -13.420 23.746 7.156 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -12.051 21.172 7.861 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -11.205 22.177 6.700 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -11.100 24.046 8.215 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -12.339 23.380 9.261 1.00 0.00 H new ATOM 0 HE ARG A 121 -9.849 21.723 8.997 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -11.785 21.529 11.313 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -10.935 22.423 12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -8.754 23.998 10.342 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -9.232 23.810 12.033 1.00 0.00 H new ATOM 339 N HIS A 122 -15.336 23.270 9.342 1.00 0.00 N ATOM 340 CA HIS A 122 -15.519 23.700 10.760 1.00 0.00 C ATOM 341 C HIS A 122 -16.440 22.703 11.490 1.00 0.00 C ATOM 342 O HIS A 122 -16.471 22.664 12.706 1.00 0.00 O ATOM 343 CB HIS A 122 -16.129 25.116 10.767 1.00 0.00 C ATOM 344 CG HIS A 122 -16.548 25.516 12.161 1.00 0.00 C ATOM 345 ND1 HIS A 122 -15.650 26.014 13.094 1.00 0.00 N ATOM 346 CD2 HIS A 122 -17.766 25.491 12.791 1.00 0.00 C ATOM 347 CE1 HIS A 122 -16.337 26.264 14.224 1.00 0.00 C ATOM 348 NE2 HIS A 122 -17.631 25.963 14.094 1.00 0.00 N ATOM 0 H HIS A 122 -15.849 23.823 8.656 1.00 0.00 H new ATOM 0 HA HIS A 122 -14.561 23.718 11.279 1.00 0.00 H new ATOM 0 HB2 HIS A 122 -15.402 25.831 10.382 1.00 0.00 H new ATOM 0 HB3 HIS A 122 -16.991 25.148 10.101 1.00 0.00 H new ATOM 0 HD1 HIS A 122 -14.651 26.163 12.950 1.00 0.00 H new ATOM 0 HD2 HIS A 122 -18.690 25.156 12.344 1.00 0.00 H new ATOM 0 HE1 HIS A 122 -15.895 26.660 15.126 1.00 0.00 H new ATOM 356 N TYR A 123 -17.191 21.905 10.766 1.00 0.00 N ATOM 357 CA TYR A 123 -18.103 20.925 11.429 1.00 0.00 C ATOM 358 C TYR A 123 -17.429 19.553 11.498 1.00 0.00 C ATOM 359 O TYR A 123 -18.077 18.530 11.392 1.00 0.00 O ATOM 360 CB TYR A 123 -19.400 20.814 10.625 1.00 0.00 C ATOM 361 CG TYR A 123 -20.555 20.554 11.564 1.00 0.00 C ATOM 362 CD1 TYR A 123 -20.894 19.240 11.910 1.00 0.00 C ATOM 363 CD2 TYR A 123 -21.285 21.626 12.089 1.00 0.00 C ATOM 364 CE1 TYR A 123 -21.963 19.000 12.780 1.00 0.00 C ATOM 365 CE2 TYR A 123 -22.355 21.385 12.960 1.00 0.00 C ATOM 366 CZ TYR A 123 -22.694 20.072 13.306 1.00 0.00 C ATOM 367 OH TYR A 123 -23.748 19.834 14.165 1.00 0.00 O ATOM 0 H TYR A 123 -17.210 21.892 9.746 1.00 0.00 H new ATOM 0 HA TYR A 123 -18.325 21.267 12.440 1.00 0.00 H new ATOM 0 HB2 TYR A 123 -19.573 21.733 10.065 1.00 0.00 H new ATOM 0 HB3 TYR A 123 -19.321 20.007 9.897 1.00 0.00 H new ATOM 0 HD1 TYR A 123 -20.330 18.412 11.505 1.00 0.00 H new ATOM 0 HD2 TYR A 123 -21.023 22.639 11.823 1.00 0.00 H new ATOM 0 HE1 TYR A 123 -22.225 17.987 13.046 1.00 0.00 H new ATOM 0 HE2 TYR A 123 -22.919 22.213 13.365 1.00 0.00 H new ATOM 0 HH TYR A 123 -24.146 20.687 14.438 1.00 0.00 H new ATOM 377 N ARG A 124 -16.133 19.527 11.675 1.00 0.00 N ATOM 378 CA ARG A 124 -15.407 18.225 11.754 1.00 0.00 C ATOM 379 C ARG A 124 -14.946 17.987 13.194 1.00 0.00 C ATOM 380 O ARG A 124 -14.952 16.872 13.680 1.00 0.00 O ATOM 381 CB ARG A 124 -14.189 18.264 10.827 1.00 0.00 C ATOM 382 CG ARG A 124 -13.976 16.882 10.205 1.00 0.00 C ATOM 383 CD ARG A 124 -13.245 17.031 8.870 1.00 0.00 C ATOM 384 NE ARG A 124 -13.595 15.888 7.980 1.00 0.00 N ATOM 385 CZ ARG A 124 -12.669 15.054 7.596 1.00 0.00 C ATOM 386 NH1 ARG A 124 -11.983 15.294 6.512 1.00 0.00 N ATOM 387 NH2 ARG A 124 -12.430 13.978 8.294 1.00 0.00 N ATOM 0 H ARG A 124 -15.545 20.355 11.768 1.00 0.00 H new ATOM 0 HA ARG A 124 -16.071 17.417 11.447 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -14.338 19.008 10.044 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -13.303 18.563 11.386 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -13.397 16.253 10.881 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -14.936 16.388 10.053 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -13.521 17.973 8.395 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -12.168 17.061 9.035 1.00 0.00 H new ATOM 0 HE ARG A 124 -14.558 15.758 7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -12.171 16.134 5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -11.259 14.641 6.212 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -12.967 13.789 9.140 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -11.706 13.326 7.994 1.00 0.00 H new ATOM 401 N SER A 125 -14.550 19.031 13.878 1.00 0.00 N ATOM 402 CA SER A 125 -14.088 18.877 15.289 1.00 0.00 C ATOM 403 C SER A 125 -15.227 19.254 16.239 1.00 0.00 C ATOM 404 O SER A 125 -15.000 19.749 17.327 1.00 0.00 O ATOM 405 CB SER A 125 -12.892 19.797 15.536 1.00 0.00 C ATOM 406 OG SER A 125 -13.079 21.013 14.822 1.00 0.00 O ATOM 0 H SER A 125 -14.527 19.985 13.518 1.00 0.00 H new ATOM 0 HA SER A 125 -13.793 17.843 15.466 1.00 0.00 H new ATOM 0 HB2 SER A 125 -12.789 20.000 16.602 1.00 0.00 H new ATOM 0 HB3 SER A 125 -11.972 19.310 15.214 1.00 0.00 H new ATOM 0 HG SER A 125 -14.011 21.303 14.908 1.00 0.00 H new ATOM 412 N HIS A 126 -16.449 19.021 15.832 1.00 0.00 N ATOM 413 CA HIS A 126 -17.613 19.362 16.701 1.00 0.00 C ATOM 414 C HIS A 126 -18.283 18.073 17.181 1.00 0.00 C ATOM 415 O HIS A 126 -18.614 17.931 18.343 1.00 0.00 O ATOM 416 CB HIS A 126 -18.622 20.186 15.900 1.00 0.00 C ATOM 417 CG HIS A 126 -18.303 21.649 16.041 1.00 0.00 C ATOM 418 ND1 HIS A 126 -18.020 22.231 17.266 1.00 0.00 N ATOM 419 CD2 HIS A 126 -18.225 22.663 15.118 1.00 0.00 C ATOM 420 CE1 HIS A 126 -17.787 23.539 17.050 1.00 0.00 C ATOM 421 NE2 HIS A 126 -17.900 23.855 15.758 1.00 0.00 N ATOM 0 H HIS A 126 -16.690 18.608 14.931 1.00 0.00 H new ATOM 0 HA HIS A 126 -17.269 19.939 17.560 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -18.591 19.896 14.850 1.00 0.00 H new ATOM 0 HB3 HIS A 126 -19.633 19.988 16.256 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -17.993 21.755 18.168 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -18.391 22.552 14.057 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -17.539 24.247 17.827 1.00 0.00 H new ATOM 429 N THR A 127 -18.488 17.137 16.290 1.00 0.00 N ATOM 430 CA THR A 127 -19.142 15.853 16.681 1.00 0.00 C ATOM 431 C THR A 127 -18.146 14.986 17.454 1.00 0.00 C ATOM 432 O THR A 127 -18.521 14.216 18.318 1.00 0.00 O ATOM 433 CB THR A 127 -19.597 15.106 15.423 1.00 0.00 C ATOM 434 OG1 THR A 127 -18.456 14.659 14.703 1.00 0.00 O ATOM 435 CG2 THR A 127 -20.427 16.037 14.538 1.00 0.00 C ATOM 0 H THR A 127 -18.230 17.207 15.306 1.00 0.00 H new ATOM 0 HA THR A 127 -20.006 16.065 17.311 1.00 0.00 H new ATOM 0 HB THR A 127 -20.207 14.250 15.712 1.00 0.00 H new ATOM 0 HG1 THR A 127 -18.744 14.179 13.899 1.00 0.00 H new ATOM 0 HG21 THR A 127 -20.748 15.500 13.645 1.00 0.00 H new ATOM 0 HG22 THR A 127 -21.303 16.379 15.090 1.00 0.00 H new ATOM 0 HG23 THR A 127 -19.823 16.897 14.247 1.00 0.00 H new ATOM 443 N ASN A 128 -16.878 15.106 17.145 1.00 0.00 N ATOM 444 CA ASN A 128 -15.841 14.292 17.852 1.00 0.00 C ATOM 445 C ASN A 128 -16.117 12.801 17.637 1.00 0.00 C ATOM 446 O ASN A 128 -15.829 11.981 18.488 1.00 0.00 O ATOM 447 CB ASN A 128 -15.872 14.607 19.351 1.00 0.00 C ATOM 448 CG ASN A 128 -14.846 15.698 19.666 1.00 0.00 C ATOM 449 OD1 ASN A 128 -14.005 15.527 20.526 1.00 0.00 O ATOM 450 ND2 ASN A 128 -14.880 16.819 19.001 1.00 0.00 N ATOM 0 H ASN A 128 -16.515 15.736 16.430 1.00 0.00 H new ATOM 0 HA ASN A 128 -14.858 14.538 17.450 1.00 0.00 H new ATOM 0 HB2 ASN A 128 -16.869 14.936 19.644 1.00 0.00 H new ATOM 0 HB3 ASN A 128 -15.651 13.708 19.927 1.00 0.00 H new ATOM 0 HD21 ASN A 128 -14.200 17.552 19.203 1.00 0.00 H new ATOM 0 HD22 ASN A 128 -15.586 16.962 18.279 1.00 0.00 H new ATOM 457 N GLU A 129 -16.669 12.448 16.504 1.00 0.00 N ATOM 458 CA GLU A 129 -16.964 11.012 16.223 1.00 0.00 C ATOM 459 C GLU A 129 -15.717 10.343 15.639 1.00 0.00 C ATOM 460 O GLU A 129 -15.184 10.778 14.640 1.00 0.00 O ATOM 461 CB GLU A 129 -18.114 10.915 15.217 1.00 0.00 C ATOM 462 CG GLU A 129 -19.441 11.172 15.932 1.00 0.00 C ATOM 463 CD GLU A 129 -20.576 10.496 15.161 1.00 0.00 C ATOM 464 OE1 GLU A 129 -20.393 9.362 14.750 1.00 0.00 O ATOM 465 OE2 GLU A 129 -21.609 11.123 14.996 1.00 0.00 O ATOM 0 H GLU A 129 -16.929 13.095 15.760 1.00 0.00 H new ATOM 0 HA GLU A 129 -17.248 10.510 17.148 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -17.973 11.642 14.417 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -18.124 9.928 14.754 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -19.398 10.785 16.950 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -19.625 12.244 16.005 1.00 0.00 H new ATOM 472 N LYS A 130 -15.253 9.285 16.261 1.00 0.00 N ATOM 473 CA LYS A 130 -14.033 8.569 15.761 1.00 0.00 C ATOM 474 C LYS A 130 -14.199 8.213 14.263 1.00 0.00 C ATOM 475 O LYS A 130 -14.974 7.335 13.939 1.00 0.00 O ATOM 476 CB LYS A 130 -13.851 7.283 16.573 1.00 0.00 C ATOM 477 CG LYS A 130 -13.375 7.631 17.992 1.00 0.00 C ATOM 478 CD LYS A 130 -14.255 6.925 19.027 1.00 0.00 C ATOM 479 CE LYS A 130 -15.555 7.708 19.216 1.00 0.00 C ATOM 480 NZ LYS A 130 -16.228 7.262 20.468 1.00 0.00 N ATOM 0 H LYS A 130 -15.670 8.883 17.101 1.00 0.00 H new ATOM 0 HA LYS A 130 -13.161 9.213 15.874 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -14.791 6.734 16.619 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -13.125 6.632 16.085 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -12.335 7.329 18.120 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -13.415 8.710 18.144 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -14.475 5.909 18.699 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -13.725 6.846 19.976 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -15.344 8.776 19.265 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -16.213 7.552 18.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -17.112 7.795 20.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -16.442 6.246 20.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -15.600 7.433 21.279 1.00 0.00 H new ATOM 494 N PRO A 131 -13.486 8.907 13.381 1.00 0.00 N ATOM 495 CA PRO A 131 -13.587 8.659 11.929 1.00 0.00 C ATOM 496 C PRO A 131 -12.646 7.529 11.478 1.00 0.00 C ATOM 497 O PRO A 131 -12.380 7.386 10.298 1.00 0.00 O ATOM 498 CB PRO A 131 -13.129 9.983 11.314 1.00 0.00 C ATOM 499 CG PRO A 131 -12.248 10.685 12.378 1.00 0.00 C ATOM 500 CD PRO A 131 -12.539 9.997 13.723 1.00 0.00 C ATOM 0 HA PRO A 131 -14.591 8.353 11.634 1.00 0.00 H new ATOM 0 HB2 PRO A 131 -12.565 9.810 10.397 1.00 0.00 H new ATOM 0 HB3 PRO A 131 -13.985 10.604 11.049 1.00 0.00 H new ATOM 0 HG2 PRO A 131 -11.192 10.601 12.122 1.00 0.00 H new ATOM 0 HG3 PRO A 131 -12.479 11.749 12.430 1.00 0.00 H new ATOM 0 HD2 PRO A 131 -11.628 9.605 14.174 1.00 0.00 H new ATOM 0 HD3 PRO A 131 -12.976 10.693 14.439 1.00 0.00 H new ATOM 508 N TYR A 132 -12.130 6.736 12.390 1.00 0.00 N ATOM 509 CA TYR A 132 -11.201 5.640 11.980 1.00 0.00 C ATOM 510 C TYR A 132 -11.422 4.391 12.855 1.00 0.00 C ATOM 511 O TYR A 132 -10.666 4.150 13.776 1.00 0.00 O ATOM 512 CB TYR A 132 -9.756 6.123 12.128 1.00 0.00 C ATOM 513 CG TYR A 132 -9.546 7.344 11.266 1.00 0.00 C ATOM 514 CD1 TYR A 132 -9.642 7.242 9.873 1.00 0.00 C ATOM 515 CD2 TYR A 132 -9.253 8.578 11.859 1.00 0.00 C ATOM 516 CE1 TYR A 132 -9.447 8.374 9.072 1.00 0.00 C ATOM 517 CE2 TYR A 132 -9.059 9.711 11.057 1.00 0.00 C ATOM 518 CZ TYR A 132 -9.155 9.608 9.665 1.00 0.00 C ATOM 519 OH TYR A 132 -8.965 10.724 8.876 1.00 0.00 O ATOM 0 H TYR A 132 -12.312 6.802 13.391 1.00 0.00 H new ATOM 0 HA TYR A 132 -11.399 5.376 10.941 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -9.545 6.360 13.171 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -9.065 5.333 11.834 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -9.867 6.290 9.416 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -9.177 8.657 12.933 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -9.522 8.295 7.997 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -8.835 10.664 11.514 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.772 11.498 9.445 1.00 0.00 H new ATOM 529 N PRO A 133 -12.447 3.615 12.542 1.00 0.00 N ATOM 530 CA PRO A 133 -12.750 2.383 13.295 1.00 0.00 C ATOM 531 C PRO A 133 -11.820 1.249 12.849 1.00 0.00 C ATOM 532 O PRO A 133 -11.730 0.938 11.676 1.00 0.00 O ATOM 533 CB PRO A 133 -14.201 2.075 12.917 1.00 0.00 C ATOM 534 CG PRO A 133 -14.461 2.782 11.565 1.00 0.00 C ATOM 535 CD PRO A 133 -13.394 3.883 11.431 1.00 0.00 C ATOM 0 HA PRO A 133 -12.611 2.492 14.371 1.00 0.00 H new ATOM 0 HB2 PRO A 133 -14.360 1.000 12.830 1.00 0.00 H new ATOM 0 HB3 PRO A 133 -14.887 2.437 13.683 1.00 0.00 H new ATOM 0 HG2 PRO A 133 -14.393 2.074 10.739 1.00 0.00 H new ATOM 0 HG3 PRO A 133 -15.464 3.209 11.538 1.00 0.00 H new ATOM 0 HD2 PRO A 133 -12.895 3.837 10.463 1.00 0.00 H new ATOM 0 HD3 PRO A 133 -13.835 4.876 11.515 1.00 0.00 H new ATOM 543 N CYS A 134 -11.131 0.629 13.776 1.00 0.00 N ATOM 544 CA CYS A 134 -10.207 -0.488 13.410 1.00 0.00 C ATOM 545 C CYS A 134 -11.013 -1.633 12.791 1.00 0.00 C ATOM 546 O CYS A 134 -12.011 -2.065 13.337 1.00 0.00 O ATOM 547 CB CYS A 134 -9.485 -0.985 14.668 1.00 0.00 C ATOM 548 SG CYS A 134 -8.239 -2.221 14.214 1.00 0.00 S ATOM 0 H CYS A 134 -11.169 0.849 14.771 1.00 0.00 H new ATOM 0 HA CYS A 134 -9.471 -0.133 12.688 1.00 0.00 H new ATOM 0 HB2 CYS A 134 -9.010 -0.148 15.180 1.00 0.00 H new ATOM 0 HB3 CYS A 134 -10.204 -1.418 15.363 1.00 0.00 H new ATOM 553 N GLY A 135 -10.584 -2.127 11.655 1.00 0.00 N ATOM 554 CA GLY A 135 -11.319 -3.244 10.992 1.00 0.00 C ATOM 555 C GLY A 135 -10.642 -4.576 11.325 1.00 0.00 C ATOM 556 O GLY A 135 -10.687 -5.514 10.553 1.00 0.00 O ATOM 0 H GLY A 135 -9.754 -1.802 11.159 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -12.356 -3.259 11.326 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.334 -3.092 9.913 1.00 0.00 H new ATOM 560 N LEU A 136 -10.016 -4.661 12.472 1.00 0.00 N ATOM 561 CA LEU A 136 -9.333 -5.930 12.866 1.00 0.00 C ATOM 562 C LEU A 136 -9.845 -6.367 14.240 1.00 0.00 C ATOM 563 O LEU A 136 -10.136 -7.527 14.466 1.00 0.00 O ATOM 564 CB LEU A 136 -7.813 -5.706 12.936 1.00 0.00 C ATOM 565 CG LEU A 136 -7.334 -4.931 11.702 1.00 0.00 C ATOM 566 CD1 LEU A 136 -5.834 -4.653 11.825 1.00 0.00 C ATOM 567 CD2 LEU A 136 -7.597 -5.756 10.438 1.00 0.00 C ATOM 0 H LEU A 136 -9.949 -3.905 13.153 1.00 0.00 H new ATOM 0 HA LEU A 136 -9.547 -6.702 12.126 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -7.561 -5.154 13.841 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -7.299 -6.665 12.994 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.877 -3.988 11.637 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -5.493 -4.102 10.948 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -5.646 -4.061 12.721 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -5.293 -5.597 11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -7.255 -5.202 9.564 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -7.058 -6.701 10.502 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -8.665 -5.953 10.348 1.00 0.00 H new ATOM 579 N CYS A 137 -9.958 -5.439 15.156 1.00 0.00 N ATOM 580 CA CYS A 137 -10.455 -5.777 16.524 1.00 0.00 C ATOM 581 C CYS A 137 -11.843 -5.160 16.760 1.00 0.00 C ATOM 582 O CYS A 137 -12.473 -5.414 17.767 1.00 0.00 O ATOM 583 CB CYS A 137 -9.470 -5.232 17.559 1.00 0.00 C ATOM 584 SG CYS A 137 -9.280 -3.439 17.354 1.00 0.00 S ATOM 0 H CYS A 137 -9.726 -4.456 15.014 1.00 0.00 H new ATOM 0 HA CYS A 137 -10.536 -6.860 16.618 1.00 0.00 H new ATOM 0 HB2 CYS A 137 -9.826 -5.455 18.565 1.00 0.00 H new ATOM 0 HB3 CYS A 137 -8.503 -5.723 17.447 1.00 0.00 H new ATOM 589 N ASN A 138 -12.315 -4.341 15.846 1.00 0.00 N ATOM 590 CA ASN A 138 -13.656 -3.686 16.006 1.00 0.00 C ATOM 591 C ASN A 138 -13.560 -2.597 17.079 1.00 0.00 C ATOM 592 O ASN A 138 -14.368 -2.525 17.986 1.00 0.00 O ATOM 593 CB ASN A 138 -14.735 -4.713 16.399 1.00 0.00 C ATOM 594 CG ASN A 138 -14.599 -5.971 15.535 1.00 0.00 C ATOM 595 OD1 ASN A 138 -14.144 -5.902 14.410 1.00 0.00 O ATOM 596 ND2 ASN A 138 -14.976 -7.123 16.017 1.00 0.00 N ATOM 0 H ASN A 138 -11.823 -4.096 14.987 1.00 0.00 H new ATOM 0 HA ASN A 138 -13.944 -3.245 15.051 1.00 0.00 H new ATOM 0 HB2 ASN A 138 -14.635 -4.973 17.453 1.00 0.00 H new ATOM 0 HB3 ASN A 138 -15.726 -4.279 16.270 1.00 0.00 H new ATOM 0 HD21 ASN A 138 -14.889 -7.966 15.450 1.00 0.00 H new ATOM 0 HD22 ASN A 138 -15.358 -7.181 16.961 1.00 0.00 H new ATOM 603 N ARG A 139 -12.573 -1.745 16.970 1.00 0.00 N ATOM 604 CA ARG A 139 -12.404 -0.646 17.966 1.00 0.00 C ATOM 605 C ARG A 139 -12.692 0.694 17.285 1.00 0.00 C ATOM 606 O ARG A 139 -13.126 0.737 16.150 1.00 0.00 O ATOM 607 CB ARG A 139 -10.968 -0.656 18.497 1.00 0.00 C ATOM 608 CG ARG A 139 -10.871 -1.610 19.690 1.00 0.00 C ATOM 609 CD ARG A 139 -11.178 -0.850 20.983 1.00 0.00 C ATOM 610 NE ARG A 139 -12.601 -1.073 21.364 1.00 0.00 N ATOM 611 CZ ARG A 139 -12.954 -2.191 21.938 1.00 0.00 C ATOM 612 NH1 ARG A 139 -12.451 -2.518 23.097 1.00 0.00 N ATOM 613 NH2 ARG A 139 -13.811 -2.983 21.352 1.00 0.00 N ATOM 0 H ARG A 139 -11.873 -1.764 16.229 1.00 0.00 H new ATOM 0 HA ARG A 139 -13.095 -0.790 18.797 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -10.281 -0.969 17.711 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -10.673 0.350 18.797 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -11.572 -2.435 19.566 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -9.873 -2.045 19.740 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -10.519 -1.189 21.782 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -10.990 0.215 20.845 1.00 0.00 H new ATOM 0 HE ARG A 139 -13.299 -0.353 21.177 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -11.781 -1.900 23.555 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -12.727 -3.392 23.545 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -14.204 -2.728 20.446 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -14.087 -3.857 21.800 1.00 0.00 H new ATOM 627 N ALA A 140 -12.454 1.787 17.968 1.00 0.00 N ATOM 628 CA ALA A 140 -12.717 3.125 17.359 1.00 0.00 C ATOM 629 C ALA A 140 -11.637 4.118 17.797 1.00 0.00 C ATOM 630 O ALA A 140 -11.301 4.207 18.963 1.00 0.00 O ATOM 631 CB ALA A 140 -14.088 3.627 17.813 1.00 0.00 C ATOM 0 H ALA A 140 -12.089 1.809 18.920 1.00 0.00 H new ATOM 0 HA ALA A 140 -12.700 3.036 16.273 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -14.283 4.604 17.370 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -14.857 2.924 17.494 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -14.103 3.712 18.900 1.00 0.00 H new ATOM 637 N PHE A 141 -11.097 4.867 16.869 1.00 0.00 N ATOM 638 CA PHE A 141 -10.040 5.863 17.218 1.00 0.00 C ATOM 639 C PHE A 141 -10.389 7.212 16.586 1.00 0.00 C ATOM 640 O PHE A 141 -11.032 7.276 15.555 1.00 0.00 O ATOM 641 CB PHE A 141 -8.688 5.383 16.688 1.00 0.00 C ATOM 642 CG PHE A 141 -8.359 4.042 17.295 1.00 0.00 C ATOM 643 CD1 PHE A 141 -8.924 2.877 16.765 1.00 0.00 C ATOM 644 CD2 PHE A 141 -7.491 3.962 18.391 1.00 0.00 C ATOM 645 CE1 PHE A 141 -8.621 1.633 17.329 1.00 0.00 C ATOM 646 CE2 PHE A 141 -7.188 2.718 18.955 1.00 0.00 C ATOM 647 CZ PHE A 141 -7.753 1.553 18.424 1.00 0.00 C ATOM 0 H PHE A 141 -11.344 4.831 15.880 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.984 5.971 18.301 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -8.718 5.305 15.601 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -7.911 6.106 16.934 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -9.594 2.938 15.920 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -7.055 4.861 18.801 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -9.057 0.734 16.919 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -6.518 2.657 19.800 1.00 0.00 H new ATOM 0 HZ PHE A 141 -7.519 0.593 18.859 1.00 0.00 H new ATOM 657 N THR A 142 -9.975 8.292 17.202 1.00 0.00 N ATOM 658 CA THR A 142 -10.288 9.642 16.649 1.00 0.00 C ATOM 659 C THR A 142 -9.153 10.110 15.734 1.00 0.00 C ATOM 660 O THR A 142 -9.378 10.823 14.773 1.00 0.00 O ATOM 661 CB THR A 142 -10.453 10.637 17.799 1.00 0.00 C ATOM 662 OG1 THR A 142 -11.174 10.020 18.857 1.00 0.00 O ATOM 663 CG2 THR A 142 -11.220 11.865 17.307 1.00 0.00 C ATOM 0 H THR A 142 -9.433 8.295 18.066 1.00 0.00 H new ATOM 0 HA THR A 142 -11.212 9.586 16.074 1.00 0.00 H new ATOM 0 HB THR A 142 -9.471 10.944 18.158 1.00 0.00 H new ATOM 0 HG1 THR A 142 -11.279 10.656 19.595 1.00 0.00 H new ATOM 0 HG21 THR A 142 -11.337 12.573 18.127 1.00 0.00 H new ATOM 0 HG22 THR A 142 -10.667 12.338 16.495 1.00 0.00 H new ATOM 0 HG23 THR A 142 -12.203 11.560 16.948 1.00 0.00 H new ATOM 671 N ARG A 143 -7.938 9.723 16.028 1.00 0.00 N ATOM 672 CA ARG A 143 -6.786 10.152 15.179 1.00 0.00 C ATOM 673 C ARG A 143 -6.383 9.017 14.237 1.00 0.00 C ATOM 674 O ARG A 143 -6.347 7.863 14.621 1.00 0.00 O ATOM 675 CB ARG A 143 -5.602 10.515 16.077 1.00 0.00 C ATOM 676 CG ARG A 143 -5.702 11.985 16.485 1.00 0.00 C ATOM 677 CD ARG A 143 -5.091 12.173 17.874 1.00 0.00 C ATOM 678 NE ARG A 143 -4.809 13.618 18.102 1.00 0.00 N ATOM 679 CZ ARG A 143 -3.663 13.988 18.605 1.00 0.00 C ATOM 680 NH1 ARG A 143 -2.558 13.750 17.954 1.00 0.00 N ATOM 681 NH2 ARG A 143 -3.622 14.595 19.759 1.00 0.00 N ATOM 0 H ARG A 143 -7.694 9.128 16.820 1.00 0.00 H new ATOM 0 HA ARG A 143 -7.078 11.020 14.588 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -5.596 9.880 16.963 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -4.665 10.336 15.551 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -5.182 12.611 15.760 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -6.745 12.302 16.489 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -5.774 11.800 18.637 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -4.171 11.594 17.960 1.00 0.00 H new ATOM 0 HE ARG A 143 -5.512 14.318 17.865 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -2.590 13.275 17.052 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -1.662 14.039 18.347 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.486 14.781 20.269 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -2.726 14.884 20.152 1.00 0.00 H new ATOM 695 N ARG A 144 -6.075 9.340 13.005 1.00 0.00 N ATOM 696 CA ARG A 144 -5.667 8.288 12.029 1.00 0.00 C ATOM 697 C ARG A 144 -4.320 7.704 12.453 1.00 0.00 C ATOM 698 O ARG A 144 -4.079 6.518 12.324 1.00 0.00 O ATOM 699 CB ARG A 144 -5.542 8.903 10.633 1.00 0.00 C ATOM 700 CG ARG A 144 -5.670 7.804 9.578 1.00 0.00 C ATOM 701 CD ARG A 144 -5.941 8.436 8.211 1.00 0.00 C ATOM 702 NE ARG A 144 -6.787 7.517 7.398 1.00 0.00 N ATOM 703 CZ ARG A 144 -6.253 6.470 6.831 1.00 0.00 C ATOM 704 NH1 ARG A 144 -6.169 5.344 7.486 1.00 0.00 N ATOM 705 NH2 ARG A 144 -5.803 6.549 5.609 1.00 0.00 N ATOM 0 H ARG A 144 -6.089 10.290 12.634 1.00 0.00 H new ATOM 0 HA ARG A 144 -6.418 7.498 12.008 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -6.316 9.656 10.485 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -4.582 9.409 10.532 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -4.755 7.212 9.542 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -6.480 7.124 9.843 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -6.443 9.395 8.335 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -5.000 8.633 7.696 1.00 0.00 H new ATOM 0 HE ARG A 144 -7.783 7.706 7.285 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -6.521 5.282 8.441 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -5.752 4.526 7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -5.869 7.429 5.097 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -5.385 5.731 5.165 1.00 0.00 H new ATOM 719 N ASP A 145 -3.441 8.531 12.964 1.00 0.00 N ATOM 720 CA ASP A 145 -2.105 8.035 13.408 1.00 0.00 C ATOM 721 C ASP A 145 -2.289 7.018 14.538 1.00 0.00 C ATOM 722 O ASP A 145 -1.490 6.118 14.710 1.00 0.00 O ATOM 723 CB ASP A 145 -1.265 9.211 13.911 1.00 0.00 C ATOM 724 CG ASP A 145 -2.045 9.977 14.980 1.00 0.00 C ATOM 725 OD1 ASP A 145 -2.260 9.418 16.043 1.00 0.00 O ATOM 726 OD2 ASP A 145 -2.414 11.110 14.718 1.00 0.00 O ATOM 0 H ASP A 145 -3.594 9.531 13.092 1.00 0.00 H new ATOM 0 HA ASP A 145 -1.597 7.559 12.569 1.00 0.00 H new ATOM 0 HB2 ASP A 145 -0.323 8.849 14.323 1.00 0.00 H new ATOM 0 HB3 ASP A 145 -1.016 9.874 13.083 1.00 0.00 H new ATOM 731 N LEU A 146 -3.341 7.159 15.306 1.00 0.00 N ATOM 732 CA LEU A 146 -3.594 6.207 16.427 1.00 0.00 C ATOM 733 C LEU A 146 -3.912 4.823 15.861 1.00 0.00 C ATOM 734 O LEU A 146 -3.334 3.830 16.262 1.00 0.00 O ATOM 735 CB LEU A 146 -4.782 6.701 17.252 1.00 0.00 C ATOM 736 CG LEU A 146 -4.284 7.602 18.381 1.00 0.00 C ATOM 737 CD1 LEU A 146 -5.480 8.235 19.095 1.00 0.00 C ATOM 738 CD2 LEU A 146 -3.478 6.768 19.379 1.00 0.00 C ATOM 0 H LEU A 146 -4.038 7.897 15.203 1.00 0.00 H new ATOM 0 HA LEU A 146 -2.708 6.146 17.059 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -5.477 7.249 16.615 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -5.329 5.853 17.664 1.00 0.00 H new ATOM 0 HG LEU A 146 -3.651 8.387 17.967 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -5.124 8.878 19.900 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -6.056 8.828 18.385 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -6.113 7.451 19.509 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -3.122 7.409 20.185 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -4.111 5.983 19.792 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -2.626 6.317 18.871 1.00 0.00 H new ATOM 750 N LEU A 147 -4.836 4.751 14.935 1.00 0.00 N ATOM 751 CA LEU A 147 -5.214 3.434 14.332 1.00 0.00 C ATOM 752 C LEU A 147 -3.974 2.736 13.761 1.00 0.00 C ATOM 753 O LEU A 147 -3.858 1.526 13.813 1.00 0.00 O ATOM 754 CB LEU A 147 -6.231 3.661 13.212 1.00 0.00 C ATOM 755 CG LEU A 147 -7.101 2.414 13.050 1.00 0.00 C ATOM 756 CD1 LEU A 147 -8.259 2.720 12.098 1.00 0.00 C ATOM 757 CD2 LEU A 147 -6.257 1.275 12.473 1.00 0.00 C ATOM 0 H LEU A 147 -5.348 5.553 14.568 1.00 0.00 H new ATOM 0 HA LEU A 147 -5.651 2.802 15.106 1.00 0.00 H new ATOM 0 HB2 LEU A 147 -6.855 4.525 13.443 1.00 0.00 H new ATOM 0 HB3 LEU A 147 -5.715 3.881 12.277 1.00 0.00 H new ATOM 0 HG LEU A 147 -7.497 2.119 14.022 1.00 0.00 H new ATOM 0 HD11 LEU A 147 -8.879 1.831 11.982 1.00 0.00 H new ATOM 0 HD12 LEU A 147 -8.861 3.532 12.506 1.00 0.00 H new ATOM 0 HD13 LEU A 147 -7.863 3.015 11.126 1.00 0.00 H new ATOM 0 HD21 LEU A 147 -6.877 0.386 12.357 1.00 0.00 H new ATOM 0 HD22 LEU A 147 -5.862 1.571 11.501 1.00 0.00 H new ATOM 0 HD23 LEU A 147 -5.431 1.056 13.149 1.00 0.00 H new ATOM 769 N ILE A 148 -3.047 3.489 13.221 1.00 0.00 N ATOM 770 CA ILE A 148 -1.815 2.865 12.652 1.00 0.00 C ATOM 771 C ILE A 148 -0.993 2.258 13.790 1.00 0.00 C ATOM 772 O ILE A 148 -0.577 1.120 13.722 1.00 0.00 O ATOM 773 CB ILE A 148 -0.980 3.924 11.925 1.00 0.00 C ATOM 774 CG1 ILE A 148 -1.843 4.614 10.865 1.00 0.00 C ATOM 775 CG2 ILE A 148 0.215 3.250 11.245 1.00 0.00 C ATOM 776 CD1 ILE A 148 -1.062 5.775 10.248 1.00 0.00 C ATOM 0 H ILE A 148 -3.091 4.506 13.150 1.00 0.00 H new ATOM 0 HA ILE A 148 -2.096 2.087 11.942 1.00 0.00 H new ATOM 0 HB ILE A 148 -0.624 4.663 12.643 1.00 0.00 H new ATOM 0 HG12 ILE A 148 -2.127 3.901 10.091 1.00 0.00 H new ATOM 0 HG13 ILE A 148 -2.766 4.981 11.314 1.00 0.00 H new ATOM 0 HG21 ILE A 148 0.811 4.002 10.727 1.00 0.00 H new ATOM 0 HG22 ILE A 148 0.830 2.755 11.997 1.00 0.00 H new ATOM 0 HG23 ILE A 148 -0.143 2.513 10.526 1.00 0.00 H new ATOM 0 HD11 ILE A 148 -1.676 6.266 9.493 1.00 0.00 H new ATOM 0 HD12 ILE A 148 -0.801 6.492 11.026 1.00 0.00 H new ATOM 0 HD13 ILE A 148 -0.152 5.395 9.784 1.00 0.00 H new ATOM 788 N ARG A 149 -0.766 3.008 14.837 1.00 0.00 N ATOM 789 CA ARG A 149 0.020 2.477 15.991 1.00 0.00 C ATOM 790 C ARG A 149 -0.694 1.256 16.594 1.00 0.00 C ATOM 791 O ARG A 149 -0.096 0.472 17.304 1.00 0.00 O ATOM 792 CB ARG A 149 0.154 3.571 17.056 1.00 0.00 C ATOM 793 CG ARG A 149 1.053 3.080 18.199 1.00 0.00 C ATOM 794 CD ARG A 149 0.193 2.697 19.406 1.00 0.00 C ATOM 795 NE ARG A 149 0.002 3.890 20.277 1.00 0.00 N ATOM 796 CZ ARG A 149 1.001 4.354 20.977 1.00 0.00 C ATOM 797 NH1 ARG A 149 1.351 3.763 22.086 1.00 0.00 N ATOM 798 NH2 ARG A 149 1.651 5.410 20.567 1.00 0.00 N ATOM 0 H ARG A 149 -1.092 3.969 14.943 1.00 0.00 H new ATOM 0 HA ARG A 149 1.009 2.176 15.646 1.00 0.00 H new ATOM 0 HB2 ARG A 149 0.575 4.473 16.612 1.00 0.00 H new ATOM 0 HB3 ARG A 149 -0.830 3.836 17.444 1.00 0.00 H new ATOM 0 HG2 ARG A 149 1.638 2.221 17.871 1.00 0.00 H new ATOM 0 HG3 ARG A 149 1.761 3.860 18.478 1.00 0.00 H new ATOM 0 HD2 ARG A 149 -0.773 2.318 19.072 1.00 0.00 H new ATOM 0 HD3 ARG A 149 0.672 1.896 19.968 1.00 0.00 H new ATOM 0 HE ARG A 149 -0.910 4.344 20.326 1.00 0.00 H new ATOM 0 HH11 ARG A 149 0.844 2.938 22.406 1.00 0.00 H new ATOM 0 HH12 ARG A 149 2.132 4.126 22.633 1.00 0.00 H new ATOM 0 HH21 ARG A 149 1.378 5.872 19.700 1.00 0.00 H new ATOM 0 HH22 ARG A 149 2.432 5.773 21.114 1.00 0.00 H new ATOM 812 N HIS A 150 -1.968 1.097 16.323 1.00 0.00 N ATOM 813 CA HIS A 150 -2.724 -0.062 16.881 1.00 0.00 C ATOM 814 C HIS A 150 -2.370 -1.341 16.101 1.00 0.00 C ATOM 815 O HIS A 150 -2.080 -2.367 16.685 1.00 0.00 O ATOM 816 CB HIS A 150 -4.232 0.244 16.771 1.00 0.00 C ATOM 817 CG HIS A 150 -5.058 -0.976 17.102 1.00 0.00 C ATOM 818 ND1 HIS A 150 -5.301 -1.379 18.405 1.00 0.00 N ATOM 819 CD2 HIS A 150 -5.697 -1.888 16.302 1.00 0.00 C ATOM 820 CE1 HIS A 150 -6.057 -2.491 18.350 1.00 0.00 C ATOM 821 NE2 HIS A 150 -6.327 -2.844 17.092 1.00 0.00 N ATOM 0 H HIS A 150 -2.517 1.725 15.736 1.00 0.00 H new ATOM 0 HA HIS A 150 -2.459 -0.220 17.926 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.492 1.058 17.448 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -4.465 0.582 15.761 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -4.968 -0.917 19.251 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.709 -1.867 15.222 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -6.403 -3.032 19.218 1.00 0.00 H new ATOM 829 N ALA A 151 -2.416 -1.291 14.793 1.00 0.00 N ATOM 830 CA ALA A 151 -2.109 -2.510 13.982 1.00 0.00 C ATOM 831 C ALA A 151 -0.602 -2.789 13.980 1.00 0.00 C ATOM 832 O ALA A 151 -0.159 -3.859 14.349 1.00 0.00 O ATOM 833 CB ALA A 151 -2.591 -2.300 12.545 1.00 0.00 C ATOM 0 H ALA A 151 -2.653 -0.459 14.252 1.00 0.00 H new ATOM 0 HA ALA A 151 -2.623 -3.364 14.424 1.00 0.00 H new ATOM 0 HB1 ALA A 151 -2.368 -3.188 11.953 1.00 0.00 H new ATOM 0 HB2 ALA A 151 -3.667 -2.124 12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 151 -2.082 -1.438 12.113 1.00 0.00 H new ATOM 839 N GLN A 152 0.190 -1.837 13.552 1.00 0.00 N ATOM 840 CA GLN A 152 1.676 -2.034 13.501 1.00 0.00 C ATOM 841 C GLN A 152 2.212 -2.563 14.842 1.00 0.00 C ATOM 842 O GLN A 152 3.261 -3.178 14.892 1.00 0.00 O ATOM 843 CB GLN A 152 2.358 -0.695 13.190 1.00 0.00 C ATOM 844 CG GLN A 152 1.716 -0.048 11.955 1.00 0.00 C ATOM 845 CD GLN A 152 2.808 0.488 11.024 1.00 0.00 C ATOM 846 OE1 GLN A 152 3.177 -0.162 10.066 1.00 0.00 O ATOM 847 NE2 GLN A 152 3.341 1.653 11.267 1.00 0.00 N ATOM 0 H GLN A 152 -0.131 -0.923 13.232 1.00 0.00 H new ATOM 0 HA GLN A 152 1.895 -2.765 12.722 1.00 0.00 H new ATOM 0 HB2 GLN A 152 2.271 -0.027 14.047 1.00 0.00 H new ATOM 0 HB3 GLN A 152 3.422 -0.852 13.015 1.00 0.00 H new ATOM 0 HG2 GLN A 152 1.102 -0.778 11.428 1.00 0.00 H new ATOM 0 HG3 GLN A 152 1.055 0.763 12.260 1.00 0.00 H new ATOM 0 HE21 GLN A 152 3.031 2.198 12.071 1.00 0.00 H new ATOM 0 HE22 GLN A 152 4.068 2.019 10.653 1.00 0.00 H new ATOM 856 N LYS A 153 1.514 -2.319 15.924 1.00 0.00 N ATOM 857 CA LYS A 153 2.001 -2.795 17.255 1.00 0.00 C ATOM 858 C LYS A 153 1.335 -4.121 17.633 1.00 0.00 C ATOM 859 O LYS A 153 1.892 -4.903 18.381 1.00 0.00 O ATOM 860 CB LYS A 153 1.668 -1.748 18.321 1.00 0.00 C ATOM 861 CG LYS A 153 2.595 -0.544 18.164 1.00 0.00 C ATOM 862 CD LYS A 153 2.896 0.053 19.540 1.00 0.00 C ATOM 863 CE LYS A 153 3.838 1.250 19.384 1.00 0.00 C ATOM 864 NZ LYS A 153 5.245 0.805 19.588 1.00 0.00 N ATOM 0 H LYS A 153 0.629 -1.812 15.943 1.00 0.00 H new ATOM 0 HA LYS A 153 3.079 -2.945 17.197 1.00 0.00 H new ATOM 0 HB2 LYS A 153 0.629 -1.434 18.225 1.00 0.00 H new ATOM 0 HB3 LYS A 153 1.780 -2.179 19.316 1.00 0.00 H new ATOM 0 HG2 LYS A 153 3.522 -0.847 17.677 1.00 0.00 H new ATOM 0 HG3 LYS A 153 2.129 0.206 17.525 1.00 0.00 H new ATOM 0 HD2 LYS A 153 1.970 0.366 20.022 1.00 0.00 H new ATOM 0 HD3 LYS A 153 3.352 -0.700 20.183 1.00 0.00 H new ATOM 0 HE2 LYS A 153 3.724 1.689 18.393 1.00 0.00 H new ATOM 0 HE3 LYS A 153 3.582 2.025 20.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 5.885 1.618 19.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 5.348 0.405 20.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 5.486 0.081 18.882 1.00 0.00 H new ATOM 878 N ILE A 154 0.145 -4.371 17.148 1.00 0.00 N ATOM 879 CA ILE A 154 -0.557 -5.639 17.512 1.00 0.00 C ATOM 880 C ILE A 154 -0.926 -6.435 16.252 1.00 0.00 C ATOM 881 O ILE A 154 -0.601 -7.602 16.139 1.00 0.00 O ATOM 882 CB ILE A 154 -1.823 -5.294 18.310 1.00 0.00 C ATOM 883 CG1 ILE A 154 -1.429 -4.508 19.567 1.00 0.00 C ATOM 884 CG2 ILE A 154 -2.545 -6.581 18.728 1.00 0.00 C ATOM 885 CD1 ILE A 154 -1.504 -3.006 19.287 1.00 0.00 C ATOM 0 H ILE A 154 -0.369 -3.755 16.518 1.00 0.00 H new ATOM 0 HA ILE A 154 0.105 -6.257 18.118 1.00 0.00 H new ATOM 0 HB ILE A 154 -2.487 -4.694 17.687 1.00 0.00 H new ATOM 0 HG12 ILE A 154 -2.094 -4.767 20.391 1.00 0.00 H new ATOM 0 HG13 ILE A 154 -0.419 -4.779 19.875 1.00 0.00 H new ATOM 0 HG21 ILE A 154 -3.442 -6.328 19.294 1.00 0.00 H new ATOM 0 HG22 ILE A 154 -2.824 -7.147 17.839 1.00 0.00 H new ATOM 0 HG23 ILE A 154 -1.883 -7.184 19.349 1.00 0.00 H new ATOM 0 HD11 ILE A 154 -1.223 -2.454 20.184 1.00 0.00 H new ATOM 0 HD12 ILE A 154 -0.821 -2.753 18.476 1.00 0.00 H new ATOM 0 HD13 ILE A 154 -2.522 -2.740 19.001 1.00 0.00 H new ATOM 897 N HIS A 155 -1.610 -5.825 15.314 1.00 0.00 N ATOM 898 CA HIS A 155 -2.003 -6.565 14.077 1.00 0.00 C ATOM 899 C HIS A 155 -0.797 -6.691 13.141 1.00 0.00 C ATOM 900 O HIS A 155 -0.178 -7.736 13.060 1.00 0.00 O ATOM 901 CB HIS A 155 -3.142 -5.821 13.370 1.00 0.00 C ATOM 902 CG HIS A 155 -4.331 -5.734 14.289 1.00 0.00 C ATOM 903 ND1 HIS A 155 -5.076 -6.848 14.641 1.00 0.00 N ATOM 904 CD2 HIS A 155 -4.917 -4.671 14.933 1.00 0.00 C ATOM 905 CE1 HIS A 155 -6.060 -6.435 15.461 1.00 0.00 C ATOM 906 NE2 HIS A 155 -6.009 -5.116 15.672 1.00 0.00 N ATOM 0 H HIS A 155 -1.911 -4.851 15.352 1.00 0.00 H new ATOM 0 HA HIS A 155 -2.345 -7.564 14.349 1.00 0.00 H new ATOM 0 HB2 HIS A 155 -2.816 -4.821 13.085 1.00 0.00 H new ATOM 0 HB3 HIS A 155 -3.416 -6.341 12.452 1.00 0.00 H new ATOM 0 HD1 HIS A 155 -4.909 -7.806 14.334 1.00 0.00 H new ATOM 0 HD2 HIS A 155 -4.581 -3.646 14.875 1.00 0.00 H new ATOM 0 HE1 HIS A 155 -6.801 -7.090 15.896 1.00 0.00 H new ATOM 914 N SER A 156 -0.457 -5.640 12.436 1.00 0.00 N ATOM 915 CA SER A 156 0.710 -5.702 11.506 1.00 0.00 C ATOM 916 C SER A 156 0.930 -4.327 10.867 1.00 0.00 C ATOM 917 O SER A 156 0.188 -3.394 11.111 1.00 0.00 O ATOM 918 CB SER A 156 0.441 -6.745 10.419 1.00 0.00 C ATOM 919 OG SER A 156 1.426 -7.767 10.499 1.00 0.00 O ATOM 0 H SER A 156 -0.939 -4.741 12.465 1.00 0.00 H new ATOM 0 HA SER A 156 1.604 -5.985 12.061 1.00 0.00 H new ATOM 0 HB2 SER A 156 -0.554 -7.171 10.546 1.00 0.00 H new ATOM 0 HB3 SER A 156 0.464 -6.277 9.435 1.00 0.00 H new ATOM 0 HG SER A 156 1.336 -8.242 11.351 1.00 0.00 H new ATOM 925 N GLY A 157 1.945 -4.203 10.050 1.00 0.00 N ATOM 926 CA GLY A 157 2.224 -2.895 9.387 1.00 0.00 C ATOM 927 C GLY A 157 2.630 -3.139 7.932 1.00 0.00 C ATOM 928 O GLY A 157 2.345 -4.178 7.368 1.00 0.00 O ATOM 0 H GLY A 157 2.594 -4.954 9.814 1.00 0.00 H new ATOM 0 HA2 GLY A 157 1.340 -2.258 9.428 1.00 0.00 H new ATOM 0 HA3 GLY A 157 3.020 -2.370 9.915 1.00 0.00 H new ATOM 932 N ASN A 158 3.294 -2.188 7.325 1.00 0.00 N ATOM 933 CA ASN A 158 3.723 -2.359 5.905 1.00 0.00 C ATOM 934 C ASN A 158 4.741 -1.274 5.544 1.00 0.00 C ATOM 935 O ASN A 158 4.807 -0.827 4.415 1.00 0.00 O ATOM 936 CB ASN A 158 2.505 -2.241 4.986 1.00 0.00 C ATOM 937 CG ASN A 158 2.836 -2.846 3.620 1.00 0.00 C ATOM 938 OD1 ASN A 158 3.488 -2.220 2.807 1.00 0.00 O ATOM 939 ND2 ASN A 158 2.413 -4.046 3.331 1.00 0.00 N ATOM 0 H ASN A 158 3.557 -1.300 7.752 1.00 0.00 H new ATOM 0 HA ASN A 158 4.179 -3.341 5.780 1.00 0.00 H new ATOM 0 HB2 ASN A 158 1.652 -2.757 5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 158 2.221 -1.195 4.873 1.00 0.00 H new ATOM 0 HD21 ASN A 158 2.629 -4.458 2.423 1.00 0.00 H new ATOM 0 HD22 ASN A 158 1.866 -4.572 4.013 1.00 0.00 H new ATOM 946 N LEU A 159 5.535 -0.849 6.496 1.00 0.00 N ATOM 947 CA LEU A 159 6.557 0.207 6.220 1.00 0.00 C ATOM 948 C LEU A 159 5.859 1.484 5.737 1.00 0.00 C ATOM 949 O LEU A 159 5.511 1.611 4.578 1.00 0.00 O ATOM 950 CB LEU A 159 7.535 -0.290 5.141 1.00 0.00 C ATOM 951 CG LEU A 159 8.985 0.014 5.551 1.00 0.00 C ATOM 952 CD1 LEU A 159 9.170 1.524 5.741 1.00 0.00 C ATOM 953 CD2 LEU A 159 9.322 -0.718 6.859 1.00 0.00 C ATOM 0 H LEU A 159 5.519 -1.190 7.457 1.00 0.00 H new ATOM 0 HA LEU A 159 7.110 0.423 7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 159 7.409 -1.363 4.994 1.00 0.00 H new ATOM 0 HB3 LEU A 159 7.311 0.191 4.189 1.00 0.00 H new ATOM 0 HG LEU A 159 9.655 -0.331 4.764 1.00 0.00 H new ATOM 0 HD11 LEU A 159 10.200 1.731 6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 159 8.946 2.038 4.806 1.00 0.00 H new ATOM 0 HD13 LEU A 159 8.495 1.878 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 159 10.351 -0.498 7.144 1.00 0.00 H new ATOM 0 HD22 LEU A 159 8.648 -0.383 7.647 1.00 0.00 H new ATOM 0 HD23 LEU A 159 9.207 -1.792 6.715 1.00 0.00 H new ATOM 965 N GLY A 160 5.654 2.429 6.620 1.00 0.00 N ATOM 966 CA GLY A 160 4.979 3.699 6.224 1.00 0.00 C ATOM 967 C GLY A 160 5.951 4.565 5.419 1.00 0.00 C ATOM 968 O GLY A 160 6.774 5.268 5.974 1.00 0.00 O ATOM 0 H GLY A 160 5.927 2.374 7.601 1.00 0.00 H new ATOM 0 HA2 GLY A 160 4.092 3.481 5.630 1.00 0.00 H new ATOM 0 HA3 GLY A 160 4.645 4.237 7.111 1.00 0.00 H new ATOM 972 N GLU A 161 5.858 4.518 4.114 1.00 0.00 N ATOM 973 CA GLU A 161 6.771 5.335 3.263 1.00 0.00 C ATOM 974 C GLU A 161 5.980 6.473 2.614 1.00 0.00 C ATOM 975 O GLU A 161 6.604 7.341 2.026 1.00 0.00 O ATOM 976 CB GLU A 161 7.378 4.450 2.172 1.00 0.00 C ATOM 977 CG GLU A 161 6.261 3.739 1.404 1.00 0.00 C ATOM 978 CD GLU A 161 6.047 2.339 1.987 1.00 0.00 C ATOM 979 OE1 GLU A 161 7.029 1.720 2.363 1.00 0.00 O ATOM 980 OE2 GLU A 161 4.906 1.911 2.046 1.00 0.00 O ATOM 981 OXT GLU A 161 4.764 6.456 2.715 1.00 0.00 O ATOM 0 H GLU A 161 5.186 3.947 3.601 1.00 0.00 H new ATOM 0 HA GLU A 161 7.568 5.751 3.879 1.00 0.00 H new ATOM 0 HB2 GLU A 161 7.974 5.055 1.489 1.00 0.00 H new ATOM 0 HB3 GLU A 161 8.050 3.717 2.617 1.00 0.00 H new ATOM 0 HG2 GLU A 161 5.338 4.315 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 161 6.520 3.668 0.348 1.00 0.00 H new TER 988 GLU A 161 HETATM 989 ZN ZN A 162 -7.578 -3.821 15.825 1.00 0.00 ZN HETATM 990 ZN ZN A 163 -19.258 25.222 15.084 1.00 0.00 ZN