USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 759 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 25 HIS : no HD1:sc=-0.00987 X(o=-0.18,f=0.13) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -169:sc= -0.169 (180deg=-0.0474) USER MOD Single : A 1 GLY N :NH3+ 131:sc= 0.0204 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0781 USER MOD Single : A 6 SER OG : rot -17:sc= 0.688 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= 0.0353 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.542 K(o=-0.54,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.0641 K(o=-0.064,f=-2.7!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.163 X(o=-0.16,f=-0.16) USER MOD Single : A 51 LYS NZ :NH3+ -117:sc= -1.06 (180deg=-2.99!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 63 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 81 LYS NZ :NH3+ -165:sc=-0.00604 (180deg=-0.136) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 MET CE :methyl 147:sc= -5.92! (180deg=-10.3!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0384) USER MOD Single : A 90 ASN : amide:sc= -0.03 X(o=-0.03,f=-0.26) USER MOD Single : A 98 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.980 -9.991 22.389 1.00 0.00 N ATOM 2 CA GLY A 1 -8.050 -10.470 23.395 1.00 0.00 C ATOM 3 C GLY A 1 -6.716 -9.751 23.339 1.00 0.00 C ATOM 4 O GLY A 1 -6.262 -9.353 22.267 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.391 -10.801 21.883 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.739 -9.448 22.848 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.477 -9.380 21.714 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.489 -10.338 24.384 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.889 -11.539 23.257 1.00 0.00 H new ATOM 8 N SER A 2 -6.087 -9.584 24.498 1.00 0.00 N ATOM 9 CA SER A 2 -4.800 -8.904 24.578 1.00 0.00 C ATOM 10 C SER A 2 -3.769 -9.773 25.292 1.00 0.00 C ATOM 11 O SER A 2 -2.994 -9.286 26.115 1.00 0.00 O ATOM 12 CB SER A 2 -4.950 -7.567 25.307 1.00 0.00 C ATOM 13 OG SER A 2 -5.521 -7.748 26.591 1.00 0.00 O ATOM 0 H SER A 2 -6.448 -9.910 25.394 1.00 0.00 H new ATOM 0 HA SER A 2 -4.451 -8.719 23.562 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.975 -7.090 25.403 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.576 -6.896 24.718 1.00 0.00 H new ATOM 0 HG SER A 2 -5.605 -6.879 27.037 1.00 0.00 H new ATOM 19 N SER A 3 -3.768 -11.063 24.971 1.00 0.00 N ATOM 20 CA SER A 3 -2.836 -12.002 25.585 1.00 0.00 C ATOM 21 C SER A 3 -1.404 -11.712 25.144 1.00 0.00 C ATOM 22 O SER A 3 -0.924 -12.261 24.154 1.00 0.00 O ATOM 23 CB SER A 3 -3.213 -13.439 25.220 1.00 0.00 C ATOM 24 OG SER A 3 -2.282 -14.363 25.757 1.00 0.00 O ATOM 0 H SER A 3 -4.402 -11.482 24.290 1.00 0.00 H new ATOM 0 HA SER A 3 -2.896 -11.882 26.667 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.211 -13.663 25.597 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.250 -13.544 24.136 1.00 0.00 H new ATOM 0 HG SER A 3 -2.546 -15.274 25.511 1.00 0.00 H new ATOM 30 N GLY A 4 -0.726 -10.845 25.890 1.00 0.00 N ATOM 31 CA GLY A 4 0.644 -10.496 25.562 1.00 0.00 C ATOM 32 C GLY A 4 0.729 -9.396 24.522 1.00 0.00 C ATOM 33 O GLY A 4 -0.177 -9.233 23.705 1.00 0.00 O ATOM 0 H GLY A 4 -1.101 -10.378 26.716 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.161 -10.177 26.467 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.163 -11.381 25.194 1.00 0.00 H new ATOM 37 N SER A 5 1.820 -8.637 24.554 1.00 0.00 N ATOM 38 CA SER A 5 2.018 -7.543 23.610 1.00 0.00 C ATOM 39 C SER A 5 2.910 -7.979 22.452 1.00 0.00 C ATOM 40 O SER A 5 3.434 -9.092 22.443 1.00 0.00 O ATOM 41 CB SER A 5 2.636 -6.336 24.319 1.00 0.00 C ATOM 42 OG SER A 5 2.570 -5.178 23.505 1.00 0.00 O ATOM 0 H SER A 5 2.580 -8.759 25.223 1.00 0.00 H new ATOM 0 HA SER A 5 1.045 -7.261 23.209 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.113 -6.155 25.258 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.675 -6.550 24.569 1.00 0.00 H new ATOM 0 HG SER A 5 2.970 -4.420 23.981 1.00 0.00 H new ATOM 48 N SER A 6 3.076 -7.092 21.476 1.00 0.00 N ATOM 49 CA SER A 6 3.901 -7.385 20.310 1.00 0.00 C ATOM 50 C SER A 6 3.584 -8.770 19.754 1.00 0.00 C ATOM 51 O SER A 6 4.482 -9.519 19.372 1.00 0.00 O ATOM 52 CB SER A 6 5.385 -7.296 20.673 1.00 0.00 C ATOM 53 OG SER A 6 5.805 -8.446 21.388 1.00 0.00 O ATOM 0 H SER A 6 2.650 -6.165 21.470 1.00 0.00 H new ATOM 0 HA SER A 6 3.677 -6.644 19.542 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.979 -7.191 19.765 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.563 -6.405 21.275 1.00 0.00 H new ATOM 0 HG SER A 6 5.021 -8.917 21.740 1.00 0.00 H new ATOM 59 N GLY A 7 2.298 -9.104 19.712 1.00 0.00 N ATOM 60 CA GLY A 7 1.883 -10.397 19.202 1.00 0.00 C ATOM 61 C GLY A 7 2.038 -10.505 17.698 1.00 0.00 C ATOM 62 O GLY A 7 3.147 -10.405 17.174 1.00 0.00 O ATOM 0 H GLY A 7 1.536 -8.501 20.022 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.472 -11.179 19.682 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.841 -10.572 19.470 1.00 0.00 H new ATOM 66 N GLU A 8 0.924 -10.710 17.003 1.00 0.00 N ATOM 67 CA GLU A 8 0.942 -10.834 15.550 1.00 0.00 C ATOM 68 C GLU A 8 0.332 -9.600 14.892 1.00 0.00 C ATOM 69 O GLU A 8 -0.759 -9.161 15.259 1.00 0.00 O ATOM 70 CB GLU A 8 0.182 -12.088 15.113 1.00 0.00 C ATOM 71 CG GLU A 8 1.002 -13.363 15.216 1.00 0.00 C ATOM 72 CD GLU A 8 1.555 -13.590 16.610 1.00 0.00 C ATOM 73 OE1 GLU A 8 0.751 -13.653 17.563 1.00 0.00 O ATOM 74 OE2 GLU A 8 2.791 -13.703 16.747 1.00 0.00 O ATOM 0 H GLU A 8 -0.002 -10.794 17.422 1.00 0.00 H new ATOM 0 HA GLU A 8 1.981 -10.919 15.231 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.714 -12.192 15.725 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -0.149 -11.961 14.082 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.382 -14.213 14.932 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.827 -13.319 14.505 1.00 0.00 H new ATOM 81 N LYS A 9 1.043 -9.044 13.916 1.00 0.00 N ATOM 82 CA LYS A 9 0.573 -7.861 13.205 1.00 0.00 C ATOM 83 C LYS A 9 0.431 -8.145 11.713 1.00 0.00 C ATOM 84 O LYS A 9 1.414 -8.127 10.972 1.00 0.00 O ATOM 85 CB LYS A 9 1.536 -6.693 13.423 1.00 0.00 C ATOM 86 CG LYS A 9 1.316 -5.961 14.736 1.00 0.00 C ATOM 87 CD LYS A 9 2.254 -4.773 14.876 1.00 0.00 C ATOM 88 CE LYS A 9 2.441 -4.380 16.334 1.00 0.00 C ATOM 89 NZ LYS A 9 3.198 -3.105 16.471 1.00 0.00 N ATOM 0 H LYS A 9 1.947 -9.394 13.600 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.407 -7.594 13.602 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.560 -7.066 13.392 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.429 -5.986 12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.283 -5.619 14.794 1.00 0.00 H new ATOM 0 HG3 LYS A 9 1.471 -6.648 15.567 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.221 -5.018 14.437 1.00 0.00 H new ATOM 0 HD3 LYS A 9 1.856 -3.926 14.318 1.00 0.00 H new ATOM 0 HE2 LYS A 9 1.466 -4.277 16.810 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.970 -5.175 16.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 3.305 -2.871 17.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.138 -3.211 16.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 2.681 -2.341 15.991 1.00 0.00 H new ATOM 103 N ALA A 10 -0.797 -8.404 11.278 1.00 0.00 N ATOM 104 CA ALA A 10 -1.067 -8.688 9.874 1.00 0.00 C ATOM 105 C ALA A 10 -0.299 -7.735 8.964 1.00 0.00 C ATOM 106 O ALA A 10 0.165 -6.684 9.403 1.00 0.00 O ATOM 107 CB ALA A 10 -2.560 -8.598 9.595 1.00 0.00 C ATOM 0 H ALA A 10 -1.622 -8.423 11.878 1.00 0.00 H new ATOM 0 HA ALA A 10 -0.729 -9.703 9.663 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.747 -8.812 8.543 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.090 -9.323 10.213 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.914 -7.594 9.829 1.00 0.00 H new ATOM 113 N GLU A 11 -0.169 -8.112 7.696 1.00 0.00 N ATOM 114 CA GLU A 11 0.545 -7.290 6.725 1.00 0.00 C ATOM 115 C GLU A 11 -0.406 -6.320 6.029 1.00 0.00 C ATOM 116 O GLU A 11 -0.055 -5.169 5.769 1.00 0.00 O ATOM 117 CB GLU A 11 1.239 -8.174 5.688 1.00 0.00 C ATOM 118 CG GLU A 11 2.528 -8.804 6.189 1.00 0.00 C ATOM 119 CD GLU A 11 2.992 -9.956 5.318 1.00 0.00 C ATOM 120 OE1 GLU A 11 2.372 -11.038 5.385 1.00 0.00 O ATOM 121 OE2 GLU A 11 3.974 -9.774 4.569 1.00 0.00 O ATOM 0 H GLU A 11 -0.548 -8.980 7.317 1.00 0.00 H new ATOM 0 HA GLU A 11 1.298 -6.712 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.554 -8.964 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.457 -7.578 4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.309 -8.044 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.381 -9.161 7.209 1.00 0.00 H new ATOM 128 N ASP A 12 -1.610 -6.794 5.730 1.00 0.00 N ATOM 129 CA ASP A 12 -2.612 -5.970 5.065 1.00 0.00 C ATOM 130 C ASP A 12 -2.886 -4.699 5.861 1.00 0.00 C ATOM 131 O ASP A 12 -2.822 -3.592 5.324 1.00 0.00 O ATOM 132 CB ASP A 12 -3.909 -6.759 4.877 1.00 0.00 C ATOM 133 CG ASP A 12 -3.685 -8.085 4.178 1.00 0.00 C ATOM 134 OD1 ASP A 12 -2.947 -8.106 3.170 1.00 0.00 O ATOM 135 OD2 ASP A 12 -4.247 -9.102 4.637 1.00 0.00 O ATOM 0 H ASP A 12 -1.916 -7.745 5.938 1.00 0.00 H new ATOM 0 HA ASP A 12 -2.223 -5.687 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.366 -6.938 5.850 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.614 -6.161 4.299 1.00 0.00 H new ATOM 140 N CYS A 13 -3.193 -4.864 7.143 1.00 0.00 N ATOM 141 CA CYS A 13 -3.479 -3.729 8.014 1.00 0.00 C ATOM 142 C CYS A 13 -2.211 -2.932 8.301 1.00 0.00 C ATOM 143 O CYS A 13 -1.498 -3.208 9.266 1.00 0.00 O ATOM 144 CB CYS A 13 -4.102 -4.210 9.325 1.00 0.00 C ATOM 145 SG CYS A 13 -5.396 -5.456 9.115 1.00 0.00 S ATOM 0 H CYS A 13 -3.250 -5.773 7.603 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.187 -3.078 7.502 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -3.316 -4.621 9.959 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -4.520 -3.352 9.852 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.859 -5.801 10.280 1.00 0.00 H new ATOM 151 N TRP A 14 -1.936 -1.944 7.457 1.00 0.00 N ATOM 152 CA TRP A 14 -0.753 -1.107 7.620 1.00 0.00 C ATOM 153 C TRP A 14 -0.907 -0.173 8.816 1.00 0.00 C ATOM 154 O TRP A 14 0.054 0.085 9.539 1.00 0.00 O ATOM 155 CB TRP A 14 -0.501 -0.292 6.350 1.00 0.00 C ATOM 156 CG TRP A 14 -1.674 0.543 5.937 1.00 0.00 C ATOM 157 CD1 TRP A 14 -2.676 0.183 5.082 1.00 0.00 C ATOM 158 CD2 TRP A 14 -1.966 1.879 6.361 1.00 0.00 C ATOM 159 NE1 TRP A 14 -3.573 1.215 4.948 1.00 0.00 N ATOM 160 CE2 TRP A 14 -3.161 2.267 5.723 1.00 0.00 C ATOM 161 CE3 TRP A 14 -1.337 2.785 7.219 1.00 0.00 C ATOM 162 CZ2 TRP A 14 -3.735 3.520 5.917 1.00 0.00 C ATOM 163 CZ3 TRP A 14 -1.907 4.029 7.409 1.00 0.00 C ATOM 164 CH2 TRP A 14 -3.097 4.387 6.762 1.00 0.00 C ATOM 0 H TRP A 14 -2.516 -1.703 6.653 1.00 0.00 H new ATOM 0 HA TRP A 14 0.101 -1.760 7.800 1.00 0.00 H new ATOM 0 HB2 TRP A 14 0.360 0.357 6.509 1.00 0.00 H new ATOM 0 HB3 TRP A 14 -0.243 -0.970 5.537 1.00 0.00 H new ATOM 0 HD1 TRP A 14 -2.752 -0.772 4.584 1.00 0.00 H new ATOM 0 HE1 TRP A 14 -4.410 1.200 4.366 1.00 0.00 H new ATOM 0 HE3 TRP A 14 -0.421 2.517 7.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 -4.652 3.798 5.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 -1.427 4.738 8.068 1.00 0.00 H new ATOM 0 HH2 TRP A 14 -3.519 5.366 6.933 1.00 0.00 H new ATOM 175 N GLU A 15 -2.121 0.330 9.016 1.00 0.00 N ATOM 176 CA GLU A 15 -2.399 1.235 10.125 1.00 0.00 C ATOM 177 C GLU A 15 -1.887 0.657 11.441 1.00 0.00 C ATOM 178 O GLU A 15 -1.450 1.393 12.328 1.00 0.00 O ATOM 179 CB GLU A 15 -3.901 1.509 10.225 1.00 0.00 C ATOM 180 CG GLU A 15 -4.464 2.256 9.028 1.00 0.00 C ATOM 181 CD GLU A 15 -4.890 1.327 7.908 1.00 0.00 C ATOM 182 OE1 GLU A 15 -4.607 0.114 8.003 1.00 0.00 O ATOM 183 OE2 GLU A 15 -5.507 1.813 6.937 1.00 0.00 O ATOM 0 H GLU A 15 -2.927 0.126 8.425 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.878 2.173 9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.428 0.561 10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.097 2.087 11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.320 2.852 9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.713 2.951 8.652 1.00 0.00 H new ATOM 190 N LEU A 16 -1.944 -0.664 11.562 1.00 0.00 N ATOM 191 CA LEU A 16 -1.487 -1.343 12.769 1.00 0.00 C ATOM 192 C LEU A 16 -0.030 -1.003 13.067 1.00 0.00 C ATOM 193 O LEU A 16 0.392 -0.999 14.223 1.00 0.00 O ATOM 194 CB LEU A 16 -1.649 -2.857 12.620 1.00 0.00 C ATOM 195 CG LEU A 16 -3.071 -3.398 12.771 1.00 0.00 C ATOM 196 CD1 LEU A 16 -3.114 -4.884 12.453 1.00 0.00 C ATOM 197 CD2 LEU A 16 -3.595 -3.136 14.176 1.00 0.00 C ATOM 0 H LEU A 16 -2.303 -1.287 10.838 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.099 -0.999 13.603 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.273 -3.148 11.639 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.016 -3.345 13.361 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.714 -2.877 12.062 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.134 -5.251 12.566 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.781 -5.046 11.428 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.457 -5.422 13.137 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.608 -3.528 14.265 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.950 -3.629 14.903 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.603 -2.063 14.367 1.00 0.00 H new ATOM 209 N GLN A 17 0.732 -0.716 12.016 1.00 0.00 N ATOM 210 CA GLN A 17 2.141 -0.374 12.166 1.00 0.00 C ATOM 211 C GLN A 17 2.316 1.124 12.393 1.00 0.00 C ATOM 212 O GLN A 17 3.175 1.549 13.167 1.00 0.00 O ATOM 213 CB GLN A 17 2.928 -0.809 10.929 1.00 0.00 C ATOM 214 CG GLN A 17 2.837 -2.299 10.643 1.00 0.00 C ATOM 215 CD GLN A 17 3.759 -2.736 9.521 1.00 0.00 C ATOM 216 OE1 GLN A 17 3.304 -3.160 8.459 1.00 0.00 O ATOM 217 NE2 GLN A 17 5.062 -2.633 9.753 1.00 0.00 N ATOM 0 H GLN A 17 0.397 -0.714 11.053 1.00 0.00 H new ATOM 0 HA GLN A 17 2.526 -0.903 13.038 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.561 -0.258 10.063 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.975 -0.536 11.060 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.084 -2.854 11.548 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.809 -2.553 10.383 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.394 -2.276 10.649 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.731 -2.911 9.035 1.00 0.00 H new ATOM 226 N ILE A 18 1.496 1.920 11.715 1.00 0.00 N ATOM 227 CA ILE A 18 1.559 3.371 11.844 1.00 0.00 C ATOM 228 C ILE A 18 0.888 3.838 13.131 1.00 0.00 C ATOM 229 O ILE A 18 -0.064 3.219 13.607 1.00 0.00 O ATOM 230 CB ILE A 18 0.893 4.072 10.646 1.00 0.00 C ATOM 231 CG1 ILE A 18 1.483 5.471 10.453 1.00 0.00 C ATOM 232 CG2 ILE A 18 -0.613 4.150 10.849 1.00 0.00 C ATOM 233 CD1 ILE A 18 0.924 6.202 9.253 1.00 0.00 C ATOM 0 H ILE A 18 0.780 1.585 11.071 1.00 0.00 H new ATOM 0 HA ILE A 18 2.615 3.640 11.870 1.00 0.00 H new ATOM 0 HB ILE A 18 1.090 3.488 9.747 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.295 6.063 11.349 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.565 5.389 10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -1.070 4.648 9.994 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -1.020 3.143 10.943 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.829 4.715 11.756 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.387 7.186 9.178 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.136 5.632 8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.154 6.316 9.366 1.00 0.00 H new ATOM 245 N SER A 19 1.389 4.936 13.689 1.00 0.00 N ATOM 246 CA SER A 19 0.839 5.486 14.922 1.00 0.00 C ATOM 247 C SER A 19 -0.561 6.048 14.689 1.00 0.00 C ATOM 248 O SER A 19 -0.962 6.337 13.562 1.00 0.00 O ATOM 249 CB SER A 19 1.756 6.581 15.470 1.00 0.00 C ATOM 250 OG SER A 19 2.726 6.041 16.350 1.00 0.00 O ATOM 0 H SER A 19 2.175 5.462 13.306 1.00 0.00 H new ATOM 0 HA SER A 19 0.771 4.680 15.652 1.00 0.00 H new ATOM 0 HB2 SER A 19 2.253 7.090 14.644 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.161 7.329 15.994 1.00 0.00 H new ATOM 0 HG SER A 19 3.300 6.761 16.685 1.00 0.00 H new ATOM 256 N PRO A 20 -1.323 6.205 15.782 1.00 0.00 N ATOM 257 CA PRO A 20 -2.689 6.734 15.724 1.00 0.00 C ATOM 258 C PRO A 20 -2.723 8.216 15.366 1.00 0.00 C ATOM 259 O PRO A 20 -3.718 8.713 14.839 1.00 0.00 O ATOM 260 CB PRO A 20 -3.215 6.514 17.145 1.00 0.00 C ATOM 261 CG PRO A 20 -1.995 6.491 18.000 1.00 0.00 C ATOM 262 CD PRO A 20 -0.910 5.881 17.157 1.00 0.00 C ATOM 0 HA PRO A 20 -3.284 6.243 14.954 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.893 7.313 17.444 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.770 5.579 17.222 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.723 7.497 18.318 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.163 5.905 18.904 1.00 0.00 H new ATOM 0 HD2 PRO A 20 0.067 6.303 17.393 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -0.838 4.804 17.312 1.00 0.00 H new ATOM 270 N GLU A 21 -1.630 8.915 15.656 1.00 0.00 N ATOM 271 CA GLU A 21 -1.537 10.340 15.364 1.00 0.00 C ATOM 272 C GLU A 21 -1.114 10.573 13.917 1.00 0.00 C ATOM 273 O GLU A 21 -1.510 11.559 13.293 1.00 0.00 O ATOM 274 CB GLU A 21 -0.542 11.013 16.312 1.00 0.00 C ATOM 275 CG GLU A 21 -0.987 11.009 17.765 1.00 0.00 C ATOM 276 CD GLU A 21 -0.162 11.942 18.630 1.00 0.00 C ATOM 277 OE1 GLU A 21 0.084 13.088 18.199 1.00 0.00 O ATOM 278 OE2 GLU A 21 0.237 11.527 19.738 1.00 0.00 O ATOM 0 H GLU A 21 -0.798 8.518 16.092 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.523 10.780 15.511 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.420 10.507 16.234 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.387 12.043 15.991 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.036 11.300 17.821 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.916 9.996 18.160 1.00 0.00 H new ATOM 285 N LEU A 22 -0.307 9.660 13.388 1.00 0.00 N ATOM 286 CA LEU A 22 0.171 9.764 12.014 1.00 0.00 C ATOM 287 C LEU A 22 -0.957 9.496 11.023 1.00 0.00 C ATOM 288 O LEU A 22 -1.028 10.118 9.963 1.00 0.00 O ATOM 289 CB LEU A 22 1.319 8.782 11.776 1.00 0.00 C ATOM 290 CG LEU A 22 2.681 9.192 12.338 1.00 0.00 C ATOM 291 CD1 LEU A 22 3.463 9.995 11.310 1.00 0.00 C ATOM 292 CD2 LEU A 22 2.510 9.990 13.622 1.00 0.00 C ATOM 0 H LEU A 22 0.030 8.839 13.890 1.00 0.00 H new ATOM 0 HA LEU A 22 0.533 10.780 11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.044 7.821 12.210 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.423 8.629 10.702 1.00 0.00 H new ATOM 0 HG LEU A 22 3.244 8.288 12.568 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.429 10.278 11.728 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.617 9.390 10.416 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.904 10.893 11.048 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.489 10.273 14.008 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.927 10.888 13.417 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.991 9.381 14.362 1.00 0.00 H new ATOM 304 N LEU A 23 -1.838 8.566 11.376 1.00 0.00 N ATOM 305 CA LEU A 23 -2.965 8.216 10.519 1.00 0.00 C ATOM 306 C LEU A 23 -3.879 9.418 10.303 1.00 0.00 C ATOM 307 O LEU A 23 -4.126 9.828 9.169 1.00 0.00 O ATOM 308 CB LEU A 23 -3.759 7.062 11.133 1.00 0.00 C ATOM 309 CG LEU A 23 -5.036 6.658 10.395 1.00 0.00 C ATOM 310 CD1 LEU A 23 -4.702 6.036 9.049 1.00 0.00 C ATOM 311 CD2 LEU A 23 -5.859 5.696 11.240 1.00 0.00 C ATOM 0 H LEU A 23 -1.793 8.041 12.249 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.571 7.904 9.552 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.107 6.191 11.193 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.024 7.333 12.155 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.630 7.555 10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.624 5.755 8.539 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.156 6.757 8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.087 5.149 9.201 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.764 5.419 10.699 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.272 4.801 11.448 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -6.131 6.178 12.179 1.00 0.00 H new ATOM 323 N ALA A 24 -4.378 9.981 11.399 1.00 0.00 N ATOM 324 CA ALA A 24 -5.260 11.138 11.330 1.00 0.00 C ATOM 325 C ALA A 24 -4.549 12.335 10.707 1.00 0.00 C ATOM 326 O ALA A 24 -5.107 13.027 9.855 1.00 0.00 O ATOM 327 CB ALA A 24 -5.777 11.492 12.717 1.00 0.00 C ATOM 0 H ALA A 24 -4.186 9.654 12.346 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.107 10.880 10.694 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.435 12.359 12.650 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.331 10.647 13.126 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.936 11.725 13.370 1.00 0.00 H new ATOM 333 N HIS A 25 -3.315 12.574 11.139 1.00 0.00 N ATOM 334 CA HIS A 25 -2.527 13.688 10.623 1.00 0.00 C ATOM 335 C HIS A 25 -2.369 13.586 9.109 1.00 0.00 C ATOM 336 O HIS A 25 -2.551 14.567 8.388 1.00 0.00 O ATOM 337 CB HIS A 25 -1.151 13.719 11.290 1.00 0.00 C ATOM 338 CG HIS A 25 -0.214 14.718 10.683 1.00 0.00 C ATOM 339 ND1 HIS A 25 -0.505 16.063 10.590 1.00 0.00 N ATOM 340 CD2 HIS A 25 1.015 14.562 10.139 1.00 0.00 C ATOM 341 CE1 HIS A 25 0.504 16.690 10.013 1.00 0.00 C ATOM 342 NE2 HIS A 25 1.440 15.802 9.730 1.00 0.00 N ATOM 0 H HIS A 25 -2.839 12.012 11.845 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.056 14.613 10.854 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -1.275 13.946 12.349 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.703 12.727 11.226 1.00 0.00 H new ATOM 0 HD2 HIS A 25 1.560 13.635 10.044 1.00 0.00 H new ATOM 0 HE1 HIS A 25 0.555 17.749 9.807 1.00 0.00 H new ATOM 0 HE2 HIS A 25 2.333 16.004 9.281 1.00 0.00 H new ATOM 351 N GLY A 26 -2.028 12.392 8.632 1.00 0.00 N ATOM 352 CA GLY A 26 -1.851 12.186 7.207 1.00 0.00 C ATOM 353 C GLY A 26 -3.142 12.354 6.431 1.00 0.00 C ATOM 354 O GLY A 26 -3.219 13.167 5.510 1.00 0.00 O ATOM 0 H GLY A 26 -1.871 11.564 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.110 12.891 6.831 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.455 11.185 7.034 1.00 0.00 H new ATOM 358 N ARG A 27 -4.159 11.583 6.803 1.00 0.00 N ATOM 359 CA ARG A 27 -5.452 11.648 6.133 1.00 0.00 C ATOM 360 C ARG A 27 -5.866 13.097 5.891 1.00 0.00 C ATOM 361 O ARG A 27 -6.177 13.483 4.765 1.00 0.00 O ATOM 362 CB ARG A 27 -6.518 10.935 6.966 1.00 0.00 C ATOM 363 CG ARG A 27 -6.357 9.424 6.997 1.00 0.00 C ATOM 364 CD ARG A 27 -7.381 8.772 7.913 1.00 0.00 C ATOM 365 NE ARG A 27 -7.086 9.014 9.323 1.00 0.00 N ATOM 366 CZ ARG A 27 -7.976 8.860 10.297 1.00 0.00 C ATOM 367 NH1 ARG A 27 -9.211 8.468 10.015 1.00 0.00 N ATOM 368 NH2 ARG A 27 -7.632 9.100 11.556 1.00 0.00 N ATOM 0 H ARG A 27 -4.112 10.906 7.565 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.359 11.148 5.169 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.485 11.316 7.987 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -7.502 11.179 6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.464 9.025 5.988 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.352 9.171 7.335 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.374 9.157 7.679 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.403 7.698 7.726 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.145 9.318 9.573 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -9.479 8.284 9.048 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.892 8.350 10.765 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.683 9.403 11.777 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -8.316 8.981 12.303 1.00 0.00 H new ATOM 382 N GLN A 28 -5.867 13.893 6.956 1.00 0.00 N ATOM 383 CA GLN A 28 -6.244 15.298 6.858 1.00 0.00 C ATOM 384 C GLN A 28 -5.485 15.988 5.730 1.00 0.00 C ATOM 385 O GLN A 28 -6.071 16.708 4.922 1.00 0.00 O ATOM 386 CB GLN A 28 -5.974 16.013 8.183 1.00 0.00 C ATOM 387 CG GLN A 28 -6.824 17.256 8.388 1.00 0.00 C ATOM 388 CD GLN A 28 -8.176 16.945 8.999 1.00 0.00 C ATOM 389 OE1 GLN A 28 -8.281 16.670 10.195 1.00 0.00 O ATOM 390 NE2 GLN A 28 -9.220 16.986 8.180 1.00 0.00 N ATOM 0 H GLN A 28 -5.611 13.589 7.895 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.310 15.348 6.637 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.156 15.319 9.004 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -4.921 16.292 8.228 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.290 17.954 9.033 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.969 17.754 7.430 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.087 17.218 7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.155 16.785 8.535 1.00 0.00 H new ATOM 399 N LYS A 29 -4.176 15.764 5.681 1.00 0.00 N ATOM 400 CA LYS A 29 -3.335 16.364 4.652 1.00 0.00 C ATOM 401 C LYS A 29 -3.810 15.962 3.259 1.00 0.00 C ATOM 402 O LYS A 29 -3.825 16.779 2.339 1.00 0.00 O ATOM 403 CB LYS A 29 -1.877 15.942 4.846 1.00 0.00 C ATOM 404 CG LYS A 29 -1.099 16.854 5.779 1.00 0.00 C ATOM 405 CD LYS A 29 0.382 16.867 5.440 1.00 0.00 C ATOM 406 CE LYS A 29 1.031 18.187 5.828 1.00 0.00 C ATOM 407 NZ LYS A 29 0.904 18.459 7.287 1.00 0.00 N ATOM 0 H LYS A 29 -3.675 15.171 6.342 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.409 17.448 4.744 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.851 14.926 5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.381 15.921 3.875 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.497 17.867 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.234 16.523 6.809 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.882 16.048 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.513 16.696 4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.085 18.168 5.552 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.569 18.998 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.188 19.440 7.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.083 18.318 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.519 17.808 7.816 1.00 0.00 H new ATOM 421 N ILE A 30 -4.197 14.699 3.113 1.00 0.00 N ATOM 422 CA ILE A 30 -4.675 14.191 1.833 1.00 0.00 C ATOM 423 C ILE A 30 -6.063 14.733 1.509 1.00 0.00 C ATOM 424 O ILE A 30 -6.407 14.933 0.344 1.00 0.00 O ATOM 425 CB ILE A 30 -4.722 12.651 1.820 1.00 0.00 C ATOM 426 CG1 ILE A 30 -3.305 12.076 1.874 1.00 0.00 C ATOM 427 CG2 ILE A 30 -5.455 12.154 0.584 1.00 0.00 C ATOM 428 CD1 ILE A 30 -3.251 10.651 2.379 1.00 0.00 C ATOM 0 H ILE A 30 -4.189 14.009 3.865 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.969 14.532 1.076 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.266 12.311 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.867 12.117 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.690 12.705 2.518 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.480 11.064 0.589 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.474 12.540 0.586 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.937 12.501 -0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.216 10.308 2.391 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.659 10.607 3.389 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -3.838 10.010 1.722 1.00 0.00 H new ATOM 440 N LEU A 31 -6.856 14.970 2.548 1.00 0.00 N ATOM 441 CA LEU A 31 -8.207 15.492 2.376 1.00 0.00 C ATOM 442 C LEU A 31 -8.177 16.898 1.786 1.00 0.00 C ATOM 443 O LEU A 31 -8.955 17.222 0.888 1.00 0.00 O ATOM 444 CB LEU A 31 -8.945 15.505 3.716 1.00 0.00 C ATOM 445 CG LEU A 31 -10.347 16.116 3.705 1.00 0.00 C ATOM 446 CD1 LEU A 31 -11.317 15.212 2.960 1.00 0.00 C ATOM 447 CD2 LEU A 31 -10.831 16.366 5.125 1.00 0.00 C ATOM 0 H LEU A 31 -6.587 14.809 3.519 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.736 14.838 1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.021 14.479 4.076 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.338 16.052 4.437 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.302 17.073 3.185 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -12.309 15.663 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.979 15.084 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -11.359 14.240 3.451 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.830 16.801 5.098 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.861 15.423 5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.150 17.054 5.626 1.00 0.00 H new ATOM 459 N ASP A 32 -7.273 17.728 2.294 1.00 0.00 N ATOM 460 CA ASP A 32 -7.139 19.099 1.815 1.00 0.00 C ATOM 461 C ASP A 32 -6.749 19.124 0.340 1.00 0.00 C ATOM 462 O ASP A 32 -6.975 20.114 -0.356 1.00 0.00 O ATOM 463 CB ASP A 32 -6.096 19.851 2.643 1.00 0.00 C ATOM 464 CG ASP A 32 -6.134 21.348 2.401 1.00 0.00 C ATOM 465 OD1 ASP A 32 -6.027 21.762 1.227 1.00 0.00 O ATOM 466 OD2 ASP A 32 -6.272 22.104 3.385 1.00 0.00 O ATOM 0 H ASP A 32 -6.622 17.476 3.037 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.105 19.592 1.926 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -6.265 19.653 3.701 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -5.103 19.472 2.402 1.00 0.00 H new ATOM 471 N LEU A 33 -6.161 18.029 -0.129 1.00 0.00 N ATOM 472 CA LEU A 33 -5.738 17.924 -1.521 1.00 0.00 C ATOM 473 C LEU A 33 -6.907 17.525 -2.417 1.00 0.00 C ATOM 474 O LEU A 33 -6.944 17.873 -3.598 1.00 0.00 O ATOM 475 CB LEU A 33 -4.606 16.904 -1.656 1.00 0.00 C ATOM 476 CG LEU A 33 -4.017 16.737 -3.057 1.00 0.00 C ATOM 477 CD1 LEU A 33 -3.194 17.958 -3.439 1.00 0.00 C ATOM 478 CD2 LEU A 33 -3.168 15.476 -3.131 1.00 0.00 C ATOM 0 H LEU A 33 -5.966 17.201 0.434 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.377 18.902 -1.840 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.803 17.191 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.975 15.935 -1.321 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.839 16.641 -3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.783 17.821 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.829 18.844 -3.426 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.379 18.085 -2.726 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.757 15.373 -4.135 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.353 15.543 -2.410 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.785 14.608 -2.901 1.00 0.00 H new ATOM 490 N LEU A 34 -7.860 16.796 -1.847 1.00 0.00 N ATOM 491 CA LEU A 34 -9.032 16.351 -2.593 1.00 0.00 C ATOM 492 C LEU A 34 -10.073 17.463 -2.685 1.00 0.00 C ATOM 493 O LEU A 34 -10.880 17.495 -3.613 1.00 0.00 O ATOM 494 CB LEU A 34 -9.645 15.117 -1.930 1.00 0.00 C ATOM 495 CG LEU A 34 -8.696 13.941 -1.695 1.00 0.00 C ATOM 496 CD1 LEU A 34 -9.286 12.974 -0.680 1.00 0.00 C ATOM 497 CD2 LEU A 34 -8.398 13.226 -3.005 1.00 0.00 C ATOM 0 H LEU A 34 -7.844 16.500 -0.871 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.713 16.092 -3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -10.066 15.416 -0.970 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.474 14.771 -2.548 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.759 14.329 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.597 12.144 -0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -9.447 13.492 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -10.237 12.592 -1.051 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.721 12.392 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -9.327 12.851 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.932 13.923 -3.702 1.00 0.00 H new ATOM 509 N ASN A 35 -10.046 18.373 -1.717 1.00 0.00 N ATOM 510 CA ASN A 35 -10.986 19.488 -1.690 1.00 0.00 C ATOM 511 C ASN A 35 -10.408 20.705 -2.406 1.00 0.00 C ATOM 512 O ASN A 35 -11.072 21.319 -3.240 1.00 0.00 O ATOM 513 CB ASN A 35 -11.337 19.850 -0.246 1.00 0.00 C ATOM 514 CG ASN A 35 -12.360 18.906 0.355 1.00 0.00 C ATOM 515 OD1 ASN A 35 -13.267 18.437 -0.332 1.00 0.00 O ATOM 516 ND2 ASN A 35 -12.219 18.624 1.645 1.00 0.00 N ATOM 0 H ASN A 35 -9.384 18.360 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.892 19.180 -2.211 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.431 19.833 0.360 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.724 20.869 -0.213 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.878 17.996 2.105 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -11.452 19.036 2.176 1.00 0.00 H new ATOM 523 N GLU A 36 -9.167 21.046 -2.073 1.00 0.00 N ATOM 524 CA GLU A 36 -8.500 22.190 -2.684 1.00 0.00 C ATOM 525 C GLU A 36 -7.791 21.782 -3.972 1.00 0.00 C ATOM 526 O GLU A 36 -7.785 22.525 -4.952 1.00 0.00 O ATOM 527 CB GLU A 36 -7.495 22.804 -1.707 1.00 0.00 C ATOM 528 CG GLU A 36 -8.065 23.046 -0.320 1.00 0.00 C ATOM 529 CD GLU A 36 -7.326 24.137 0.432 1.00 0.00 C ATOM 530 OE1 GLU A 36 -6.533 24.862 -0.204 1.00 0.00 O ATOM 531 OE2 GLU A 36 -7.540 24.264 1.655 1.00 0.00 O ATOM 0 H GLU A 36 -8.604 20.547 -1.384 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.259 22.933 -2.928 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.631 22.145 -1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.137 23.750 -2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.117 23.318 -0.406 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.021 22.120 0.254 1.00 0.00 H new ATOM 538 N GLY A 37 -7.192 20.595 -3.960 1.00 0.00 N ATOM 539 CA GLY A 37 -6.487 20.108 -5.131 1.00 0.00 C ATOM 540 C GLY A 37 -7.425 19.549 -6.182 1.00 0.00 C ATOM 541 O GLY A 37 -8.368 18.826 -5.861 1.00 0.00 O ATOM 0 H GLY A 37 -7.183 19.962 -3.160 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.904 20.921 -5.564 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.781 19.334 -4.830 1.00 0.00 H new ATOM 545 N SER A 38 -7.168 19.887 -7.442 1.00 0.00 N ATOM 546 CA SER A 38 -8.001 19.419 -8.544 1.00 0.00 C ATOM 547 C SER A 38 -7.452 18.120 -9.126 1.00 0.00 C ATOM 548 O SER A 38 -6.395 17.641 -8.716 1.00 0.00 O ATOM 549 CB SER A 38 -8.084 20.486 -9.637 1.00 0.00 C ATOM 550 OG SER A 38 -8.704 21.664 -9.154 1.00 0.00 O ATOM 0 H SER A 38 -6.390 20.483 -7.725 1.00 0.00 H new ATOM 0 HA SER A 38 -9.001 19.229 -8.156 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.082 20.720 -9.998 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.646 20.098 -10.487 1.00 0.00 H new ATOM 0 HG SER A 38 -8.743 22.331 -9.871 1.00 0.00 H new ATOM 556 N ALA A 39 -8.179 17.554 -10.084 1.00 0.00 N ATOM 557 CA ALA A 39 -7.765 16.312 -10.724 1.00 0.00 C ATOM 558 C ALA A 39 -6.249 16.251 -10.875 1.00 0.00 C ATOM 559 O ALA A 39 -5.592 15.389 -10.290 1.00 0.00 O ATOM 560 CB ALA A 39 -8.438 16.168 -12.081 1.00 0.00 C ATOM 0 H ALA A 39 -9.058 17.936 -10.434 1.00 0.00 H new ATOM 0 HA ALA A 39 -8.074 15.483 -10.087 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.120 15.236 -12.548 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.520 16.158 -11.951 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -8.157 17.007 -12.717 1.00 0.00 H new ATOM 566 N ARG A 40 -5.699 17.169 -11.663 1.00 0.00 N ATOM 567 CA ARG A 40 -4.260 17.217 -11.892 1.00 0.00 C ATOM 568 C ARG A 40 -3.496 17.104 -10.575 1.00 0.00 C ATOM 569 O ARG A 40 -2.646 16.229 -10.413 1.00 0.00 O ATOM 570 CB ARG A 40 -3.879 18.516 -12.605 1.00 0.00 C ATOM 571 CG ARG A 40 -4.528 18.674 -13.970 1.00 0.00 C ATOM 572 CD ARG A 40 -3.728 17.968 -15.053 1.00 0.00 C ATOM 573 NE ARG A 40 -4.350 18.100 -16.367 1.00 0.00 N ATOM 574 CZ ARG A 40 -3.770 17.711 -17.498 1.00 0.00 C ATOM 575 NH1 ARG A 40 -2.560 17.169 -17.473 1.00 0.00 N ATOM 576 NH2 ARG A 40 -4.400 17.864 -18.655 1.00 0.00 N ATOM 0 H ARG A 40 -6.228 17.890 -12.154 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.989 16.371 -12.523 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.162 19.361 -11.978 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.796 18.553 -12.721 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.540 18.270 -13.942 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.615 19.733 -14.212 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.720 18.381 -15.086 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.632 16.912 -14.802 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.281 18.513 -16.420 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.073 17.050 -16.585 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.117 16.871 -18.342 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.331 18.281 -18.678 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.954 17.565 -19.522 1.00 0.00 H new ATOM 590 N ASP A 41 -3.806 17.995 -9.640 1.00 0.00 N ATOM 591 CA ASP A 41 -3.149 17.996 -8.338 1.00 0.00 C ATOM 592 C ASP A 41 -3.097 16.587 -7.755 1.00 0.00 C ATOM 593 O ASP A 41 -2.141 16.222 -7.070 1.00 0.00 O ATOM 594 CB ASP A 41 -3.880 18.932 -7.374 1.00 0.00 C ATOM 595 CG ASP A 41 -2.951 19.541 -6.342 1.00 0.00 C ATOM 596 OD1 ASP A 41 -1.931 18.900 -6.012 1.00 0.00 O ATOM 597 OD2 ASP A 41 -3.245 20.656 -5.863 1.00 0.00 O ATOM 0 H ASP A 41 -4.508 18.726 -9.759 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.128 18.352 -8.474 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -4.361 19.729 -7.941 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -4.671 18.380 -6.866 1.00 0.00 H new ATOM 602 N LEU A 42 -4.131 15.800 -8.030 1.00 0.00 N ATOM 603 CA LEU A 42 -4.204 14.430 -7.533 1.00 0.00 C ATOM 604 C LEU A 42 -3.283 13.512 -8.329 1.00 0.00 C ATOM 605 O LEU A 42 -2.603 12.656 -7.762 1.00 0.00 O ATOM 606 CB LEU A 42 -5.643 13.916 -7.606 1.00 0.00 C ATOM 607 CG LEU A 42 -6.714 14.831 -7.010 1.00 0.00 C ATOM 608 CD1 LEU A 42 -8.103 14.272 -7.277 1.00 0.00 C ATOM 609 CD2 LEU A 42 -6.489 15.012 -5.516 1.00 0.00 C ATOM 0 H LEU A 42 -4.931 16.087 -8.594 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.877 14.429 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.890 13.734 -8.652 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.690 12.954 -7.095 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.639 15.807 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.852 14.936 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.263 14.194 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -8.191 13.284 -6.825 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.260 15.666 -5.109 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.537 14.042 -5.021 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.509 15.458 -5.347 1.00 0.00 H new ATOM 621 N ARG A 43 -3.264 13.697 -9.645 1.00 0.00 N ATOM 622 CA ARG A 43 -2.426 12.885 -10.519 1.00 0.00 C ATOM 623 C ARG A 43 -0.968 12.932 -10.070 1.00 0.00 C ATOM 624 O ARG A 43 -0.166 12.074 -10.439 1.00 0.00 O ATOM 625 CB ARG A 43 -2.541 13.369 -11.965 1.00 0.00 C ATOM 626 CG ARG A 43 -3.971 13.421 -12.478 1.00 0.00 C ATOM 627 CD ARG A 43 -4.028 13.891 -13.923 1.00 0.00 C ATOM 628 NE ARG A 43 -5.299 14.536 -14.239 1.00 0.00 N ATOM 629 CZ ARG A 43 -5.619 14.975 -15.451 1.00 0.00 C ATOM 630 NH1 ARG A 43 -4.765 14.839 -16.456 1.00 0.00 N ATOM 631 NH2 ARG A 43 -6.796 15.551 -15.660 1.00 0.00 N ATOM 0 H ARG A 43 -3.819 14.402 -10.129 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.774 11.854 -10.460 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.100 14.363 -12.043 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.957 12.710 -12.607 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.424 12.433 -12.398 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.559 14.093 -11.852 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.211 14.588 -14.110 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.879 13.040 -14.587 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.979 14.656 -13.488 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.860 14.396 -16.299 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.013 15.177 -17.386 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.456 15.657 -14.889 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.041 15.888 -16.591 1.00 0.00 H new ATOM 645 N SER A 44 -0.632 13.941 -9.272 1.00 0.00 N ATOM 646 CA SER A 44 0.730 14.102 -8.777 1.00 0.00 C ATOM 647 C SER A 44 1.045 13.063 -7.705 1.00 0.00 C ATOM 648 O SER A 44 2.186 12.618 -7.571 1.00 0.00 O ATOM 649 CB SER A 44 0.926 15.510 -8.210 1.00 0.00 C ATOM 650 OG SER A 44 2.299 15.857 -8.169 1.00 0.00 O ATOM 0 H SER A 44 -1.284 14.659 -8.955 1.00 0.00 H new ATOM 0 HA SER A 44 1.414 13.955 -9.613 1.00 0.00 H new ATOM 0 HB2 SER A 44 0.384 16.231 -8.822 1.00 0.00 H new ATOM 0 HB3 SER A 44 0.504 15.563 -7.206 1.00 0.00 H new ATOM 0 HG SER A 44 2.397 16.761 -7.804 1.00 0.00 H new ATOM 656 N LEU A 45 0.026 12.679 -6.944 1.00 0.00 N ATOM 657 CA LEU A 45 0.193 11.691 -5.884 1.00 0.00 C ATOM 658 C LEU A 45 0.853 10.424 -6.418 1.00 0.00 C ATOM 659 O LEU A 45 1.236 10.359 -7.586 1.00 0.00 O ATOM 660 CB LEU A 45 -1.162 11.350 -5.261 1.00 0.00 C ATOM 661 CG LEU A 45 -1.713 12.363 -4.257 1.00 0.00 C ATOM 662 CD1 LEU A 45 -3.181 12.086 -3.970 1.00 0.00 C ATOM 663 CD2 LEU A 45 -0.902 12.334 -2.970 1.00 0.00 C ATOM 0 H LEU A 45 -0.924 13.037 -7.041 1.00 0.00 H new ATOM 0 HA LEU A 45 0.841 12.121 -5.120 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.889 11.232 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.078 10.384 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.630 13.359 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.556 12.817 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.753 12.159 -4.895 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.288 11.084 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.309 13.061 -2.267 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.952 11.338 -2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.137 12.582 -3.189 1.00 0.00 H new ATOM 675 N GLN A 46 0.980 9.421 -5.556 1.00 0.00 N ATOM 676 CA GLN A 46 1.592 8.155 -5.943 1.00 0.00 C ATOM 677 C GLN A 46 0.558 7.214 -6.553 1.00 0.00 C ATOM 678 O GLN A 46 0.562 6.971 -7.760 1.00 0.00 O ATOM 679 CB GLN A 46 2.251 7.492 -4.732 1.00 0.00 C ATOM 680 CG GLN A 46 3.456 8.253 -4.203 1.00 0.00 C ATOM 681 CD GLN A 46 4.521 8.469 -5.261 1.00 0.00 C ATOM 682 OE1 GLN A 46 5.150 7.519 -5.728 1.00 0.00 O ATOM 683 NE2 GLN A 46 4.728 9.722 -5.645 1.00 0.00 N ATOM 0 H GLN A 46 0.668 9.460 -4.586 1.00 0.00 H new ATOM 0 HA GLN A 46 2.354 8.363 -6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 46 1.514 7.396 -3.935 1.00 0.00 H new ATOM 0 HB3 GLN A 46 2.560 6.483 -5.004 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.130 9.219 -3.818 1.00 0.00 H new ATOM 0 HG3 GLN A 46 3.888 7.705 -3.365 1.00 0.00 H new ATOM 0 HE21 GLN A 46 4.184 10.479 -5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 46 5.432 9.928 -6.354 1.00 0.00 H new ATOM 692 N ARG A 47 -0.325 6.687 -5.711 1.00 0.00 N ATOM 693 CA ARG A 47 -1.363 5.772 -6.168 1.00 0.00 C ATOM 694 C ARG A 47 -2.560 6.539 -6.723 1.00 0.00 C ATOM 695 O ARG A 47 -3.692 6.348 -6.279 1.00 0.00 O ATOM 696 CB ARG A 47 -1.813 4.865 -5.021 1.00 0.00 C ATOM 697 CG ARG A 47 -0.672 4.390 -4.136 1.00 0.00 C ATOM 698 CD ARG A 47 0.059 3.209 -4.755 1.00 0.00 C ATOM 699 NE ARG A 47 1.039 2.631 -3.840 1.00 0.00 N ATOM 700 CZ ARG A 47 1.695 1.502 -4.083 1.00 0.00 C ATOM 701 NH1 ARG A 47 1.477 0.833 -5.207 1.00 0.00 N ATOM 702 NH2 ARG A 47 2.572 1.039 -3.201 1.00 0.00 N ATOM 0 H ARG A 47 -0.342 6.878 -4.709 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.945 5.159 -6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -2.538 5.401 -4.408 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.326 3.997 -5.435 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.029 5.209 -3.974 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.062 4.106 -3.159 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.664 2.445 -5.042 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.561 3.531 -5.667 1.00 0.00 H new ATOM 0 HE ARG A 47 1.230 3.121 -2.966 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.804 1.185 -5.888 1.00 0.00 H new ATOM 0 HH12 ARG A 47 1.982 -0.034 -5.391 1.00 0.00 H new ATOM 0 HH21 ARG A 47 2.743 1.550 -2.335 1.00 0.00 H new ATOM 0 HH22 ARG A 47 3.075 0.172 -3.389 1.00 0.00 H new ATOM 716 N ILE A 48 -2.300 7.408 -7.694 1.00 0.00 N ATOM 717 CA ILE A 48 -3.355 8.204 -8.309 1.00 0.00 C ATOM 718 C ILE A 48 -3.031 8.513 -9.767 1.00 0.00 C ATOM 719 O ILE A 48 -1.898 8.855 -10.103 1.00 0.00 O ATOM 720 CB ILE A 48 -3.576 9.527 -7.552 1.00 0.00 C ATOM 721 CG1 ILE A 48 -3.802 9.256 -6.063 1.00 0.00 C ATOM 722 CG2 ILE A 48 -4.756 10.284 -8.143 1.00 0.00 C ATOM 723 CD1 ILE A 48 -5.115 8.565 -5.767 1.00 0.00 C ATOM 0 H ILE A 48 -1.368 7.579 -8.072 1.00 0.00 H new ATOM 0 HA ILE A 48 -4.268 7.610 -8.260 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.683 10.143 -7.659 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -2.984 8.642 -5.686 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.768 10.201 -5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.900 11.217 -7.598 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.559 10.504 -9.192 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.656 9.674 -8.063 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.208 8.405 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -5.940 9.187 -6.114 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.145 7.604 -6.281 1.00 0.00 H new ATOM 735 N GLY A 49 -4.036 8.392 -10.629 1.00 0.00 N ATOM 736 CA GLY A 49 -3.838 8.664 -12.041 1.00 0.00 C ATOM 737 C GLY A 49 -4.839 9.664 -12.584 1.00 0.00 C ATOM 738 O GLY A 49 -5.646 10.230 -11.846 1.00 0.00 O ATOM 0 H GLY A 49 -4.983 8.111 -10.375 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -2.828 9.044 -12.197 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.918 7.733 -12.602 1.00 0.00 H new ATOM 742 N PRO A 50 -4.793 9.896 -13.904 1.00 0.00 N ATOM 743 CA PRO A 50 -5.695 10.837 -14.575 1.00 0.00 C ATOM 744 C PRO A 50 -7.133 10.332 -14.615 1.00 0.00 C ATOM 745 O PRO A 50 -8.050 11.065 -14.987 1.00 0.00 O ATOM 746 CB PRO A 50 -5.122 10.930 -15.991 1.00 0.00 C ATOM 747 CG PRO A 50 -4.399 9.643 -16.193 1.00 0.00 C ATOM 748 CD PRO A 50 -3.856 9.257 -14.844 1.00 0.00 C ATOM 0 HA PRO A 50 -5.744 11.795 -14.057 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -5.913 11.060 -16.730 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.449 11.782 -16.091 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -5.070 8.875 -16.578 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -3.594 9.757 -16.919 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.832 8.175 -14.715 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -2.837 9.617 -14.703 1.00 0.00 H new ATOM 756 N LYS A 51 -7.326 9.076 -14.229 1.00 0.00 N ATOM 757 CA LYS A 51 -8.653 8.472 -14.218 1.00 0.00 C ATOM 758 C LYS A 51 -9.379 8.778 -12.912 1.00 0.00 C ATOM 759 O LYS A 51 -10.367 9.513 -12.897 1.00 0.00 O ATOM 760 CB LYS A 51 -8.549 6.958 -14.414 1.00 0.00 C ATOM 761 CG LYS A 51 -9.844 6.314 -14.877 1.00 0.00 C ATOM 762 CD LYS A 51 -9.791 4.801 -14.752 1.00 0.00 C ATOM 763 CE LYS A 51 -11.177 4.184 -14.852 1.00 0.00 C ATOM 764 NZ LYS A 51 -11.897 4.222 -13.548 1.00 0.00 N ATOM 0 H LYS A 51 -6.579 8.455 -13.919 1.00 0.00 H new ATOM 0 HA LYS A 51 -9.226 8.900 -15.041 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -7.767 6.748 -15.144 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.240 6.499 -13.475 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.675 6.700 -14.286 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.037 6.588 -15.914 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.153 4.392 -15.535 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -9.339 4.529 -13.798 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.759 4.718 -15.604 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -11.091 3.151 -15.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -12.083 3.251 -13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -11.313 4.715 -12.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.799 4.727 -13.664 1.00 0.00 H new ATOM 778 N LYS A 52 -8.883 8.211 -11.818 1.00 0.00 N ATOM 779 CA LYS A 52 -9.483 8.425 -10.506 1.00 0.00 C ATOM 780 C LYS A 52 -9.666 9.914 -10.228 1.00 0.00 C ATOM 781 O LYS A 52 -10.725 10.343 -9.770 1.00 0.00 O ATOM 782 CB LYS A 52 -8.613 7.795 -9.416 1.00 0.00 C ATOM 783 CG LYS A 52 -8.695 6.279 -9.373 1.00 0.00 C ATOM 784 CD LYS A 52 -7.458 5.672 -8.732 1.00 0.00 C ATOM 785 CE LYS A 52 -7.449 4.156 -8.864 1.00 0.00 C ATOM 786 NZ LYS A 52 -6.882 3.716 -10.168 1.00 0.00 N ATOM 0 H LYS A 52 -8.067 7.599 -11.813 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.464 7.949 -10.500 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.576 8.090 -9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.913 8.194 -8.447 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.581 5.977 -8.814 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.809 5.891 -10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.564 6.084 -9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.421 5.947 -7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.866 3.724 -8.050 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.466 3.777 -8.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.894 2.677 -10.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.453 4.107 -10.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.903 4.056 -10.253 1.00 0.00 H new ATOM 800 N ALA A 53 -8.629 10.696 -10.509 1.00 0.00 N ATOM 801 CA ALA A 53 -8.678 12.136 -10.292 1.00 0.00 C ATOM 802 C ALA A 53 -10.007 12.717 -10.760 1.00 0.00 C ATOM 803 O ALA A 53 -10.678 13.433 -10.016 1.00 0.00 O ATOM 804 CB ALA A 53 -7.521 12.817 -11.008 1.00 0.00 C ATOM 0 H ALA A 53 -7.745 10.356 -10.887 1.00 0.00 H new ATOM 0 HA ALA A 53 -8.588 12.320 -9.221 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.570 13.892 -10.837 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.577 12.431 -10.623 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.586 12.616 -12.077 1.00 0.00 H new ATOM 810 N GLN A 54 -10.382 12.405 -11.996 1.00 0.00 N ATOM 811 CA GLN A 54 -11.632 12.898 -12.562 1.00 0.00 C ATOM 812 C GLN A 54 -12.832 12.279 -11.854 1.00 0.00 C ATOM 813 O GLN A 54 -13.894 12.896 -11.755 1.00 0.00 O ATOM 814 CB GLN A 54 -11.694 12.591 -14.060 1.00 0.00 C ATOM 815 CG GLN A 54 -10.752 13.443 -14.895 1.00 0.00 C ATOM 816 CD GLN A 54 -11.392 14.736 -15.359 1.00 0.00 C ATOM 817 OE1 GLN A 54 -12.328 14.728 -16.158 1.00 0.00 O ATOM 818 NE2 GLN A 54 -10.888 15.859 -14.859 1.00 0.00 N ATOM 0 H GLN A 54 -9.838 11.813 -12.624 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.666 13.978 -12.418 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.455 11.539 -14.217 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.715 12.742 -14.411 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -9.861 13.672 -14.310 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -10.425 12.872 -15.764 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -10.111 15.820 -14.199 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -11.278 16.760 -15.135 1.00 0.00 H new ATOM 827 N LEU A 55 -12.658 11.057 -11.363 1.00 0.00 N ATOM 828 CA LEU A 55 -13.727 10.354 -10.663 1.00 0.00 C ATOM 829 C LEU A 55 -14.056 11.039 -9.341 1.00 0.00 C ATOM 830 O LEU A 55 -15.219 11.122 -8.945 1.00 0.00 O ATOM 831 CB LEU A 55 -13.328 8.899 -10.411 1.00 0.00 C ATOM 832 CG LEU A 55 -13.082 8.045 -11.656 1.00 0.00 C ATOM 833 CD1 LEU A 55 -12.940 6.579 -11.278 1.00 0.00 C ATOM 834 CD2 LEU A 55 -14.207 8.233 -12.663 1.00 0.00 C ATOM 0 H LEU A 55 -11.786 10.532 -11.437 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.616 10.377 -11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -12.422 8.891 -9.805 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -14.111 8.426 -9.819 1.00 0.00 H new ATOM 0 HG LEU A 55 -12.150 8.371 -12.119 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -12.766 5.987 -12.176 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.099 6.459 -10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.854 6.239 -10.791 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -14.015 7.618 -13.542 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.153 7.935 -12.211 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -14.260 9.281 -12.958 1.00 0.00 H new ATOM 846 N ILE A 56 -13.024 11.531 -8.663 1.00 0.00 N ATOM 847 CA ILE A 56 -13.204 12.212 -7.387 1.00 0.00 C ATOM 848 C ILE A 56 -13.679 13.646 -7.592 1.00 0.00 C ATOM 849 O ILE A 56 -14.504 14.153 -6.831 1.00 0.00 O ATOM 850 CB ILE A 56 -11.899 12.227 -6.568 1.00 0.00 C ATOM 851 CG1 ILE A 56 -11.331 10.812 -6.447 1.00 0.00 C ATOM 852 CG2 ILE A 56 -12.145 12.825 -5.191 1.00 0.00 C ATOM 853 CD1 ILE A 56 -9.840 10.779 -6.191 1.00 0.00 C ATOM 0 H ILE A 56 -12.055 11.471 -8.976 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.963 11.656 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.169 12.848 -7.087 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -11.842 10.292 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -11.546 10.263 -7.364 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -11.214 12.829 -4.624 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -12.509 13.847 -5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -12.889 12.228 -4.663 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.506 9.744 -6.116 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -9.319 11.270 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.619 11.299 -5.259 1.00 0.00 H new ATOM 865 N VAL A 57 -13.155 14.296 -8.626 1.00 0.00 N ATOM 866 CA VAL A 57 -13.528 15.671 -8.934 1.00 0.00 C ATOM 867 C VAL A 57 -14.972 15.755 -9.415 1.00 0.00 C ATOM 868 O VAL A 57 -15.739 16.604 -8.965 1.00 0.00 O ATOM 869 CB VAL A 57 -12.604 16.276 -10.008 1.00 0.00 C ATOM 870 CG1 VAL A 57 -12.915 17.752 -10.209 1.00 0.00 C ATOM 871 CG2 VAL A 57 -11.145 16.077 -9.628 1.00 0.00 C ATOM 0 H VAL A 57 -12.470 13.892 -9.265 1.00 0.00 H new ATOM 0 HA VAL A 57 -13.423 16.242 -8.011 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.784 15.760 -10.951 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.253 18.163 -10.971 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -13.951 17.865 -10.529 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -12.764 18.287 -9.271 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.506 16.510 -10.398 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -10.947 16.567 -8.674 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.934 15.011 -9.539 1.00 0.00 H new ATOM 881 N GLY A 58 -15.336 14.866 -10.334 1.00 0.00 N ATOM 882 CA GLY A 58 -16.688 14.856 -10.862 1.00 0.00 C ATOM 883 C GLY A 58 -17.726 14.580 -9.792 1.00 0.00 C ATOM 884 O GLY A 58 -18.881 14.985 -9.921 1.00 0.00 O ATOM 0 H GLY A 58 -14.719 14.153 -10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -16.899 15.818 -11.329 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -16.765 14.099 -11.642 1.00 0.00 H new ATOM 888 N TRP A 59 -17.314 13.889 -8.735 1.00 0.00 N ATOM 889 CA TRP A 59 -18.218 13.558 -7.640 1.00 0.00 C ATOM 890 C TRP A 59 -18.456 14.770 -6.745 1.00 0.00 C ATOM 891 O TRP A 59 -19.599 15.133 -6.467 1.00 0.00 O ATOM 892 CB TRP A 59 -17.650 12.403 -6.814 1.00 0.00 C ATOM 893 CG TRP A 59 -18.597 11.899 -5.767 1.00 0.00 C ATOM 894 CD1 TRP A 59 -18.911 12.507 -4.585 1.00 0.00 C ATOM 895 CD2 TRP A 59 -19.351 10.683 -5.808 1.00 0.00 C ATOM 896 NE1 TRP A 59 -19.815 11.741 -3.889 1.00 0.00 N ATOM 897 CE2 TRP A 59 -20.102 10.618 -4.618 1.00 0.00 C ATOM 898 CE3 TRP A 59 -19.467 9.644 -6.735 1.00 0.00 C ATOM 899 CZ2 TRP A 59 -20.954 9.554 -4.333 1.00 0.00 C ATOM 900 CZ3 TRP A 59 -20.313 8.588 -6.451 1.00 0.00 C ATOM 901 CH2 TRP A 59 -21.048 8.550 -5.258 1.00 0.00 C ATOM 0 H TRP A 59 -16.361 13.547 -8.613 1.00 0.00 H new ATOM 0 HA TRP A 59 -19.172 13.254 -8.069 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -17.388 11.582 -7.482 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -16.728 12.729 -6.333 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -18.508 13.450 -4.247 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -20.209 11.972 -2.977 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -18.906 9.665 -7.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -21.521 9.522 -3.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -20.409 7.779 -7.160 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -21.701 7.712 -5.065 1.00 0.00 H new ATOM 912 N ARG A 60 -17.370 15.393 -6.299 1.00 0.00 N ATOM 913 CA ARG A 60 -17.462 16.564 -5.436 1.00 0.00 C ATOM 914 C ARG A 60 -18.025 17.760 -6.199 1.00 0.00 C ATOM 915 O ARG A 60 -18.494 18.726 -5.598 1.00 0.00 O ATOM 916 CB ARG A 60 -16.086 16.913 -4.865 1.00 0.00 C ATOM 917 CG ARG A 60 -15.129 17.495 -5.893 1.00 0.00 C ATOM 918 CD ARG A 60 -14.131 18.444 -5.250 1.00 0.00 C ATOM 919 NE ARG A 60 -13.455 19.280 -6.239 1.00 0.00 N ATOM 920 CZ ARG A 60 -12.401 18.881 -6.941 1.00 0.00 C ATOM 921 NH1 ARG A 60 -11.905 17.664 -6.765 1.00 0.00 N ATOM 922 NH2 ARG A 60 -11.841 19.699 -7.823 1.00 0.00 N ATOM 0 H ARG A 60 -16.417 15.106 -6.521 1.00 0.00 H new ATOM 0 HA ARG A 60 -18.139 16.326 -4.616 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -16.210 17.628 -4.051 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -15.642 16.015 -4.435 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.595 16.687 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.695 18.025 -6.659 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.647 19.079 -4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.390 17.869 -4.694 1.00 0.00 H new ATOM 0 HE ARG A 60 -13.812 20.222 -6.399 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.333 17.032 -6.089 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -11.095 17.360 -7.306 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.220 20.636 -7.962 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -11.031 19.391 -8.362 1.00 0.00 H new ATOM 936 N GLU A 61 -17.974 17.686 -7.525 1.00 0.00 N ATOM 937 CA GLU A 61 -18.478 18.763 -8.369 1.00 0.00 C ATOM 938 C GLU A 61 -19.971 18.981 -8.139 1.00 0.00 C ATOM 939 O GLU A 61 -20.432 20.117 -8.011 1.00 0.00 O ATOM 940 CB GLU A 61 -18.218 18.450 -9.844 1.00 0.00 C ATOM 941 CG GLU A 61 -16.835 18.860 -10.319 1.00 0.00 C ATOM 942 CD GLU A 61 -16.786 20.298 -10.798 1.00 0.00 C ATOM 943 OE1 GLU A 61 -17.011 21.207 -9.973 1.00 0.00 O ATOM 944 OE2 GLU A 61 -16.523 20.514 -12.000 1.00 0.00 O ATOM 0 H GLU A 61 -17.589 16.893 -8.038 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.949 19.678 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -18.347 17.380 -10.008 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -18.967 18.958 -10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -16.121 18.727 -9.506 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -16.522 18.200 -11.128 1.00 0.00 H new ATOM 951 N LEU A 62 -20.722 17.887 -8.089 1.00 0.00 N ATOM 952 CA LEU A 62 -22.163 17.957 -7.875 1.00 0.00 C ATOM 953 C LEU A 62 -22.501 17.812 -6.394 1.00 0.00 C ATOM 954 O LEU A 62 -23.183 18.660 -5.817 1.00 0.00 O ATOM 955 CB LEU A 62 -22.871 16.866 -8.680 1.00 0.00 C ATOM 956 CG LEU A 62 -23.018 17.128 -10.180 1.00 0.00 C ATOM 957 CD1 LEU A 62 -23.070 15.816 -10.948 1.00 0.00 C ATOM 958 CD2 LEU A 62 -24.262 17.960 -10.456 1.00 0.00 C ATOM 0 H LEU A 62 -20.357 16.940 -8.194 1.00 0.00 H new ATOM 0 HA LEU A 62 -22.509 18.933 -8.214 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -22.326 15.932 -8.546 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -23.865 16.718 -8.258 1.00 0.00 H new ATOM 0 HG LEU A 62 -22.147 17.689 -10.519 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -23.175 16.022 -12.013 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -22.151 15.257 -10.775 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -23.922 15.228 -10.607 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -24.351 18.137 -11.528 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -25.143 17.425 -10.102 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -24.184 18.915 -9.936 1.00 0.00 H new ATOM 970 N HIS A 63 -22.019 16.734 -5.785 1.00 0.00 N ATOM 971 CA HIS A 63 -22.269 16.480 -4.370 1.00 0.00 C ATOM 972 C HIS A 63 -21.659 17.579 -3.505 1.00 0.00 C ATOM 973 O HIS A 63 -22.353 18.216 -2.714 1.00 0.00 O ATOM 974 CB HIS A 63 -21.697 15.120 -3.966 1.00 0.00 C ATOM 975 CG HIS A 63 -22.351 13.965 -4.659 1.00 0.00 C ATOM 976 ND1 HIS A 63 -23.146 13.047 -4.005 1.00 0.00 N ATOM 977 CD2 HIS A 63 -22.328 13.582 -5.957 1.00 0.00 C ATOM 978 CE1 HIS A 63 -23.581 12.149 -4.870 1.00 0.00 C ATOM 979 NE2 HIS A 63 -23.099 12.451 -6.062 1.00 0.00 N ATOM 0 H HIS A 63 -21.454 16.023 -6.248 1.00 0.00 H new ATOM 0 HA HIS A 63 -23.347 16.474 -4.212 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -20.629 15.106 -4.183 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -21.805 14.995 -2.889 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -21.801 14.075 -6.761 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -24.222 11.310 -4.642 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -23.272 11.929 -6.921 1.00 0.00 H new ATOM 988 N GLY A 64 -20.356 17.795 -3.662 1.00 0.00 N ATOM 989 CA GLY A 64 -19.676 18.816 -2.888 1.00 0.00 C ATOM 990 C GLY A 64 -18.418 18.296 -2.221 1.00 0.00 C ATOM 991 O GLY A 64 -17.847 17.284 -2.628 1.00 0.00 O ATOM 0 H GLY A 64 -19.760 17.281 -4.311 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.419 19.651 -3.540 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.354 19.202 -2.127 1.00 0.00 H new ATOM 995 N PRO A 65 -17.966 18.999 -1.171 1.00 0.00 N ATOM 996 CA PRO A 65 -16.762 18.622 -0.425 1.00 0.00 C ATOM 997 C PRO A 65 -16.959 17.347 0.388 1.00 0.00 C ATOM 998 O PRO A 65 -18.039 17.104 0.928 1.00 0.00 O ATOM 999 CB PRO A 65 -16.530 19.817 0.502 1.00 0.00 C ATOM 1000 CG PRO A 65 -17.876 20.433 0.670 1.00 0.00 C ATOM 1001 CD PRO A 65 -18.596 20.216 -0.632 1.00 0.00 C ATOM 0 HA PRO A 65 -15.922 18.410 -1.087 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -16.117 19.501 1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -15.823 20.524 0.068 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.416 19.971 1.496 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.793 21.496 0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -19.667 20.081 -0.481 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -18.473 21.064 -1.305 1.00 0.00 H new ATOM 1009 N PHE A 66 -15.910 16.536 0.473 1.00 0.00 N ATOM 1010 CA PHE A 66 -15.969 15.286 1.221 1.00 0.00 C ATOM 1011 C PHE A 66 -15.743 15.531 2.710 1.00 0.00 C ATOM 1012 O PHE A 66 -14.709 16.063 3.112 1.00 0.00 O ATOM 1013 CB PHE A 66 -14.925 14.300 0.691 1.00 0.00 C ATOM 1014 CG PHE A 66 -14.926 14.174 -0.806 1.00 0.00 C ATOM 1015 CD1 PHE A 66 -15.899 13.427 -1.450 1.00 0.00 C ATOM 1016 CD2 PHE A 66 -13.954 14.801 -1.568 1.00 0.00 C ATOM 1017 CE1 PHE A 66 -15.902 13.308 -2.827 1.00 0.00 C ATOM 1018 CE2 PHE A 66 -13.951 14.686 -2.945 1.00 0.00 C ATOM 1019 CZ PHE A 66 -14.927 13.939 -3.576 1.00 0.00 C ATOM 0 H PHE A 66 -15.009 16.722 0.033 1.00 0.00 H new ATOM 0 HA PHE A 66 -16.963 14.859 1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -13.936 14.618 1.020 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -15.107 13.319 1.130 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -16.664 12.932 -0.870 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -13.189 15.387 -1.080 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -16.666 12.722 -3.317 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -13.187 15.179 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 66 -14.928 13.848 -4.652 1.00 0.00 H new ATOM 1029 N SER A 67 -16.719 15.140 3.523 1.00 0.00 N ATOM 1030 CA SER A 67 -16.630 15.321 4.967 1.00 0.00 C ATOM 1031 C SER A 67 -15.433 14.565 5.536 1.00 0.00 C ATOM 1032 O SER A 67 -15.023 14.799 6.673 1.00 0.00 O ATOM 1033 CB SER A 67 -17.917 14.845 5.642 1.00 0.00 C ATOM 1034 OG SER A 67 -18.121 15.509 6.877 1.00 0.00 O ATOM 0 H SER A 67 -17.581 14.696 3.206 1.00 0.00 H new ATOM 0 HA SER A 67 -16.495 16.384 5.168 1.00 0.00 H new ATOM 0 HB2 SER A 67 -18.766 15.027 4.983 1.00 0.00 H new ATOM 0 HB3 SER A 67 -17.868 13.769 5.808 1.00 0.00 H new ATOM 0 HG SER A 67 -18.951 15.188 7.288 1.00 0.00 H new ATOM 1040 N GLN A 68 -14.880 13.659 4.738 1.00 0.00 N ATOM 1041 CA GLN A 68 -13.731 12.868 5.162 1.00 0.00 C ATOM 1042 C GLN A 68 -13.111 12.131 3.979 1.00 0.00 C ATOM 1043 O GLN A 68 -13.622 12.189 2.861 1.00 0.00 O ATOM 1044 CB GLN A 68 -14.145 11.866 6.242 1.00 0.00 C ATOM 1045 CG GLN A 68 -15.434 11.127 5.923 1.00 0.00 C ATOM 1046 CD GLN A 68 -16.093 10.544 7.157 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -15.672 9.507 7.669 1.00 0.00 O ATOM 1048 NE2 GLN A 68 -17.134 11.210 7.644 1.00 0.00 N ATOM 0 H GLN A 68 -15.208 13.454 3.794 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.986 13.548 5.574 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -13.344 11.140 6.379 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -14.263 12.393 7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.128 11.810 5.433 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.223 10.325 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -17.450 12.066 7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -17.617 10.865 8.474 1.00 0.00 H new ATOM 1057 N VAL A 69 -12.005 11.437 4.234 1.00 0.00 N ATOM 1058 CA VAL A 69 -11.315 10.688 3.191 1.00 0.00 C ATOM 1059 C VAL A 69 -12.022 9.368 2.904 1.00 0.00 C ATOM 1060 O VAL A 69 -11.857 8.785 1.833 1.00 0.00 O ATOM 1061 CB VAL A 69 -9.853 10.402 3.579 1.00 0.00 C ATOM 1062 CG1 VAL A 69 -9.069 9.898 2.377 1.00 0.00 C ATOM 1063 CG2 VAL A 69 -9.204 11.646 4.166 1.00 0.00 C ATOM 0 H VAL A 69 -11.569 11.379 5.154 1.00 0.00 H new ATOM 0 HA VAL A 69 -11.330 11.307 2.294 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.844 9.622 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -8.038 9.702 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.522 8.978 2.007 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.084 10.652 1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.171 11.425 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.224 12.449 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.752 11.957 5.056 1.00 0.00 H new ATOM 1073 N GLU A 70 -12.809 8.902 3.869 1.00 0.00 N ATOM 1074 CA GLU A 70 -13.540 7.649 3.719 1.00 0.00 C ATOM 1075 C GLU A 70 -14.627 7.778 2.656 1.00 0.00 C ATOM 1076 O GLU A 70 -15.146 6.778 2.160 1.00 0.00 O ATOM 1077 CB GLU A 70 -14.163 7.234 5.054 1.00 0.00 C ATOM 1078 CG GLU A 70 -13.151 6.717 6.062 1.00 0.00 C ATOM 1079 CD GLU A 70 -13.806 6.028 7.244 1.00 0.00 C ATOM 1080 OE1 GLU A 70 -14.242 6.734 8.176 1.00 0.00 O ATOM 1081 OE2 GLU A 70 -13.881 4.781 7.236 1.00 0.00 O ATOM 0 H GLU A 70 -12.957 9.373 4.762 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.834 6.881 3.401 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -14.686 8.089 5.483 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -14.910 6.461 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.475 6.019 5.568 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.544 7.548 6.421 1.00 0.00 H new ATOM 1088 N ASP A 71 -14.967 9.015 2.313 1.00 0.00 N ATOM 1089 CA ASP A 71 -15.992 9.276 1.309 1.00 0.00 C ATOM 1090 C ASP A 71 -15.524 8.832 -0.074 1.00 0.00 C ATOM 1091 O ASP A 71 -16.324 8.712 -1.003 1.00 0.00 O ATOM 1092 CB ASP A 71 -16.348 10.763 1.286 1.00 0.00 C ATOM 1093 CG ASP A 71 -17.346 11.136 2.365 1.00 0.00 C ATOM 1094 OD1 ASP A 71 -17.432 10.404 3.373 1.00 0.00 O ATOM 1095 OD2 ASP A 71 -18.041 12.160 2.201 1.00 0.00 O ATOM 0 H ASP A 71 -14.548 9.853 2.715 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.880 8.702 1.575 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.441 11.353 1.415 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.759 11.020 0.310 1.00 0.00 H new ATOM 1100 N LEU A 72 -14.225 8.589 -0.203 1.00 0.00 N ATOM 1101 CA LEU A 72 -13.649 8.158 -1.472 1.00 0.00 C ATOM 1102 C LEU A 72 -14.232 6.817 -1.907 1.00 0.00 C ATOM 1103 O LEU A 72 -14.466 6.588 -3.093 1.00 0.00 O ATOM 1104 CB LEU A 72 -12.128 8.052 -1.355 1.00 0.00 C ATOM 1105 CG LEU A 72 -11.367 9.376 -1.277 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -9.868 9.127 -1.203 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -11.704 10.257 -2.470 1.00 0.00 C ATOM 0 H LEU A 72 -13.550 8.683 0.556 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.898 8.904 -2.227 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -11.892 7.467 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.756 7.492 -2.213 1.00 0.00 H new ATOM 0 HG LEU A 72 -11.674 9.895 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.343 10.081 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.641 8.536 -0.316 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.545 8.586 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.153 11.195 -2.397 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -11.427 9.744 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.774 10.465 -2.478 1.00 0.00 H new ATOM 1119 N GLU A 73 -14.465 5.937 -0.939 1.00 0.00 N ATOM 1120 CA GLU A 73 -15.021 4.619 -1.223 1.00 0.00 C ATOM 1121 C GLU A 73 -16.350 4.739 -1.965 1.00 0.00 C ATOM 1122 O GLU A 73 -16.662 3.926 -2.835 1.00 0.00 O ATOM 1123 CB GLU A 73 -15.219 3.834 0.075 1.00 0.00 C ATOM 1124 CG GLU A 73 -16.512 4.169 0.799 1.00 0.00 C ATOM 1125 CD GLU A 73 -16.699 3.356 2.065 1.00 0.00 C ATOM 1126 OE1 GLU A 73 -15.872 3.497 2.990 1.00 0.00 O ATOM 1127 OE2 GLU A 73 -17.674 2.578 2.131 1.00 0.00 O ATOM 0 H GLU A 73 -14.278 6.112 0.048 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.315 4.084 -1.859 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.204 2.768 -0.150 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.379 4.031 0.740 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.520 5.230 1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -17.355 3.992 0.130 1.00 0.00 H new ATOM 1134 N ARG A 74 -17.128 5.757 -1.613 1.00 0.00 N ATOM 1135 CA ARG A 74 -18.423 5.982 -2.244 1.00 0.00 C ATOM 1136 C ARG A 74 -18.256 6.327 -3.721 1.00 0.00 C ATOM 1137 O ARG A 74 -19.081 5.952 -4.554 1.00 0.00 O ATOM 1138 CB ARG A 74 -19.174 7.107 -1.528 1.00 0.00 C ATOM 1139 CG ARG A 74 -19.735 6.700 -0.175 1.00 0.00 C ATOM 1140 CD ARG A 74 -20.879 7.607 0.249 1.00 0.00 C ATOM 1141 NE ARG A 74 -21.495 7.164 1.497 1.00 0.00 N ATOM 1142 CZ ARG A 74 -22.546 7.759 2.050 1.00 0.00 C ATOM 1143 NH1 ARG A 74 -23.096 8.815 1.467 1.00 0.00 N ATOM 1144 NH2 ARG A 74 -23.050 7.296 3.187 1.00 0.00 N ATOM 0 H ARG A 74 -16.884 6.439 -0.895 1.00 0.00 H new ATOM 0 HA ARG A 74 -19.001 5.061 -2.167 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -18.501 7.953 -1.393 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -19.991 7.448 -2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -20.085 5.669 -0.220 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -18.944 6.736 0.574 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -20.509 8.625 0.369 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -21.632 7.632 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.096 6.353 1.970 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -22.712 9.172 0.592 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -23.903 9.270 1.893 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -22.630 6.483 3.637 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -23.857 7.754 3.611 1.00 0.00 H new ATOM 1158 N VAL A 75 -17.183 7.045 -4.038 1.00 0.00 N ATOM 1159 CA VAL A 75 -16.907 7.440 -5.414 1.00 0.00 C ATOM 1160 C VAL A 75 -16.811 6.223 -6.327 1.00 0.00 C ATOM 1161 O VAL A 75 -16.079 5.277 -6.040 1.00 0.00 O ATOM 1162 CB VAL A 75 -15.600 8.248 -5.514 1.00 0.00 C ATOM 1163 CG1 VAL A 75 -15.374 8.724 -6.942 1.00 0.00 C ATOM 1164 CG2 VAL A 75 -15.625 9.424 -4.550 1.00 0.00 C ATOM 0 H VAL A 75 -16.491 7.365 -3.360 1.00 0.00 H new ATOM 0 HA VAL A 75 -17.739 8.067 -5.736 1.00 0.00 H new ATOM 0 HB VAL A 75 -14.770 7.598 -5.237 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -14.446 9.293 -6.993 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -15.309 7.863 -7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -16.206 9.358 -7.250 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -14.693 9.984 -4.634 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -16.464 10.076 -4.794 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -15.736 9.056 -3.530 1.00 0.00 H new ATOM 1174 N GLU A 76 -17.556 6.256 -7.428 1.00 0.00 N ATOM 1175 CA GLU A 76 -17.554 5.154 -8.383 1.00 0.00 C ATOM 1176 C GLU A 76 -16.132 4.820 -8.826 1.00 0.00 C ATOM 1177 O GLU A 76 -15.338 5.711 -9.125 1.00 0.00 O ATOM 1178 CB GLU A 76 -18.411 5.505 -9.601 1.00 0.00 C ATOM 1179 CG GLU A 76 -18.530 4.372 -10.607 1.00 0.00 C ATOM 1180 CD GLU A 76 -19.302 3.186 -10.062 1.00 0.00 C ATOM 1181 OE1 GLU A 76 -20.490 3.358 -9.717 1.00 0.00 O ATOM 1182 OE2 GLU A 76 -18.717 2.086 -9.981 1.00 0.00 O ATOM 0 H GLU A 76 -18.167 7.032 -7.680 1.00 0.00 H new ATOM 0 HA GLU A 76 -17.977 4.279 -7.890 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -19.409 5.787 -9.264 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.984 6.377 -10.097 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -19.024 4.740 -11.506 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -17.532 4.047 -10.902 1.00 0.00 H new ATOM 1189 N GLY A 77 -15.819 3.528 -8.865 1.00 0.00 N ATOM 1190 CA GLY A 77 -14.493 3.099 -9.271 1.00 0.00 C ATOM 1191 C GLY A 77 -13.547 2.948 -8.097 1.00 0.00 C ATOM 1192 O GLY A 77 -12.756 2.006 -8.046 1.00 0.00 O ATOM 0 H GLY A 77 -16.459 2.772 -8.623 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -14.568 2.148 -9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -14.081 3.822 -9.975 1.00 0.00 H new ATOM 1196 N ILE A 78 -13.627 3.878 -7.152 1.00 0.00 N ATOM 1197 CA ILE A 78 -12.770 3.844 -5.973 1.00 0.00 C ATOM 1198 C ILE A 78 -13.478 3.179 -4.798 1.00 0.00 C ATOM 1199 O ILE A 78 -14.246 3.818 -4.077 1.00 0.00 O ATOM 1200 CB ILE A 78 -12.329 5.260 -5.557 1.00 0.00 C ATOM 1201 CG1 ILE A 78 -11.590 5.946 -6.708 1.00 0.00 C ATOM 1202 CG2 ILE A 78 -11.448 5.197 -4.317 1.00 0.00 C ATOM 1203 CD1 ILE A 78 -11.367 7.425 -6.486 1.00 0.00 C ATOM 0 H ILE A 78 -14.276 4.664 -7.179 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.889 3.261 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 78 -13.216 5.846 -5.319 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -10.626 5.459 -6.851 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -12.158 5.806 -7.628 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -11.144 6.205 -4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.005 4.743 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.563 4.597 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -10.838 7.846 -7.341 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -12.329 7.925 -6.372 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -10.773 7.572 -5.584 1.00 0.00 H new ATOM 1215 N THR A 79 -13.215 1.889 -4.608 1.00 0.00 N ATOM 1216 CA THR A 79 -13.826 1.137 -3.520 1.00 0.00 C ATOM 1217 C THR A 79 -13.122 1.413 -2.196 1.00 0.00 C ATOM 1218 O THR A 79 -11.994 1.904 -2.173 1.00 0.00 O ATOM 1219 CB THR A 79 -13.795 -0.378 -3.798 1.00 0.00 C ATOM 1220 OG1 THR A 79 -14.475 -1.082 -2.753 1.00 0.00 O ATOM 1221 CG2 THR A 79 -12.363 -0.880 -3.906 1.00 0.00 C ATOM 0 H THR A 79 -12.583 1.344 -5.194 1.00 0.00 H new ATOM 0 HA THR A 79 -14.863 1.466 -3.452 1.00 0.00 H new ATOM 0 HB THR A 79 -14.299 -0.561 -4.747 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.452 -2.044 -2.938 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.367 -1.952 -4.102 1.00 0.00 H new ATOM 0 HG22 THR A 79 -11.857 -0.364 -4.722 1.00 0.00 H new ATOM 0 HG23 THR A 79 -11.837 -0.684 -2.971 1.00 0.00 H new ATOM 1229 N GLY A 80 -13.795 1.094 -1.095 1.00 0.00 N ATOM 1230 CA GLY A 80 -13.217 1.315 0.218 1.00 0.00 C ATOM 1231 C GLY A 80 -11.839 0.698 0.356 1.00 0.00 C ATOM 1232 O GLY A 80 -11.049 1.107 1.207 1.00 0.00 O ATOM 0 H GLY A 80 -14.730 0.687 -1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -13.153 2.386 0.408 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -13.877 0.896 0.977 1.00 0.00 H new ATOM 1236 N LYS A 81 -11.549 -0.292 -0.482 1.00 0.00 N ATOM 1237 CA LYS A 81 -10.257 -0.968 -0.451 1.00 0.00 C ATOM 1238 C LYS A 81 -9.236 -0.231 -1.311 1.00 0.00 C ATOM 1239 O LYS A 81 -8.049 -0.201 -0.991 1.00 0.00 O ATOM 1240 CB LYS A 81 -10.403 -2.412 -0.936 1.00 0.00 C ATOM 1241 CG LYS A 81 -9.194 -3.280 -0.633 1.00 0.00 C ATOM 1242 CD LYS A 81 -9.056 -3.543 0.858 1.00 0.00 C ATOM 1243 CE LYS A 81 -8.123 -4.712 1.134 1.00 0.00 C ATOM 1244 NZ LYS A 81 -8.746 -6.016 0.776 1.00 0.00 N ATOM 0 H LYS A 81 -12.192 -0.644 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.901 -0.972 0.579 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -11.284 -2.855 -0.471 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -10.577 -2.409 -2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.283 -4.228 -1.164 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -8.292 -2.791 -1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -8.677 -2.649 1.353 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.037 -3.751 1.284 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -7.201 -4.582 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -7.850 -4.718 2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.200 -6.791 1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -9.723 -6.043 1.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -8.751 -6.126 -0.258 1.00 0.00 H new ATOM 1258 N GLN A 82 -9.708 0.362 -2.403 1.00 0.00 N ATOM 1259 CA GLN A 82 -8.835 1.099 -3.309 1.00 0.00 C ATOM 1260 C GLN A 82 -8.330 2.381 -2.655 1.00 0.00 C ATOM 1261 O GLN A 82 -7.186 2.786 -2.863 1.00 0.00 O ATOM 1262 CB GLN A 82 -9.574 1.431 -4.606 1.00 0.00 C ATOM 1263 CG GLN A 82 -9.623 0.275 -5.592 1.00 0.00 C ATOM 1264 CD GLN A 82 -8.363 0.168 -6.429 1.00 0.00 C ATOM 1265 OE1 GLN A 82 -8.224 0.839 -7.451 1.00 0.00 O ATOM 1266 NE2 GLN A 82 -7.436 -0.680 -5.997 1.00 0.00 N ATOM 0 H GLN A 82 -10.689 0.346 -2.682 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.977 0.468 -3.540 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.593 1.736 -4.366 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.090 2.283 -5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -9.772 -0.657 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.483 0.400 -6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.593 -1.216 -5.144 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -6.567 -0.795 -6.518 1.00 0.00 H new ATOM 1275 N MET A 83 -9.190 3.015 -1.865 1.00 0.00 N ATOM 1276 CA MET A 83 -8.830 4.251 -1.180 1.00 0.00 C ATOM 1277 C MET A 83 -7.856 3.976 -0.039 1.00 0.00 C ATOM 1278 O MET A 83 -7.002 4.805 0.273 1.00 0.00 O ATOM 1279 CB MET A 83 -10.082 4.944 -0.641 1.00 0.00 C ATOM 1280 CG MET A 83 -10.700 4.239 0.555 1.00 0.00 C ATOM 1281 SD MET A 83 -9.864 4.636 2.103 1.00 0.00 S ATOM 1282 CE MET A 83 -9.943 6.426 2.081 1.00 0.00 C ATOM 0 H MET A 83 -10.141 2.693 -1.683 1.00 0.00 H new ATOM 0 HA MET A 83 -8.342 4.907 -1.901 1.00 0.00 H new ATOM 0 HB2 MET A 83 -9.829 5.966 -0.359 1.00 0.00 H new ATOM 0 HB3 MET A 83 -10.823 5.008 -1.438 1.00 0.00 H new ATOM 0 HG2 MET A 83 -11.751 4.517 0.633 1.00 0.00 H new ATOM 0 HG3 MET A 83 -10.666 3.161 0.394 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.035 6.799 3.101 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.035 6.825 1.630 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.808 6.745 1.499 1.00 0.00 H new ATOM 1292 N GLU A 84 -7.991 2.807 0.580 1.00 0.00 N ATOM 1293 CA GLU A 84 -7.123 2.425 1.688 1.00 0.00 C ATOM 1294 C GLU A 84 -5.665 2.364 1.240 1.00 0.00 C ATOM 1295 O GLU A 84 -4.802 3.035 1.805 1.00 0.00 O ATOM 1296 CB GLU A 84 -7.551 1.071 2.257 1.00 0.00 C ATOM 1297 CG GLU A 84 -8.625 1.172 3.326 1.00 0.00 C ATOM 1298 CD GLU A 84 -8.049 1.345 4.718 1.00 0.00 C ATOM 1299 OE1 GLU A 84 -7.766 2.498 5.104 1.00 0.00 O ATOM 1300 OE2 GLU A 84 -7.881 0.327 5.421 1.00 0.00 O ATOM 0 H GLU A 84 -8.692 2.109 0.333 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.215 3.183 2.466 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.917 0.444 1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.678 0.571 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.279 2.014 3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.242 0.274 3.301 1.00 0.00 H new ATOM 1307 N SER A 85 -5.399 1.552 0.222 1.00 0.00 N ATOM 1308 CA SER A 85 -4.046 1.398 -0.300 1.00 0.00 C ATOM 1309 C SER A 85 -3.418 2.758 -0.590 1.00 0.00 C ATOM 1310 O SER A 85 -2.293 3.037 -0.174 1.00 0.00 O ATOM 1311 CB SER A 85 -4.060 0.548 -1.571 1.00 0.00 C ATOM 1312 OG SER A 85 -3.954 -0.831 -1.264 1.00 0.00 O ATOM 0 H SER A 85 -6.103 0.991 -0.258 1.00 0.00 H new ATOM 0 HA SER A 85 -3.446 0.894 0.458 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.981 0.731 -2.124 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.235 0.844 -2.219 1.00 0.00 H new ATOM 0 HG SER A 85 -3.967 -1.353 -2.093 1.00 0.00 H new ATOM 1318 N PHE A 86 -4.153 3.601 -1.307 1.00 0.00 N ATOM 1319 CA PHE A 86 -3.669 4.932 -1.655 1.00 0.00 C ATOM 1320 C PHE A 86 -3.175 5.672 -0.416 1.00 0.00 C ATOM 1321 O PHE A 86 -1.988 5.978 -0.294 1.00 0.00 O ATOM 1322 CB PHE A 86 -4.777 5.738 -2.337 1.00 0.00 C ATOM 1323 CG PHE A 86 -4.636 7.223 -2.155 1.00 0.00 C ATOM 1324 CD1 PHE A 86 -3.410 7.843 -2.332 1.00 0.00 C ATOM 1325 CD2 PHE A 86 -5.731 7.998 -1.806 1.00 0.00 C ATOM 1326 CE1 PHE A 86 -3.278 9.208 -2.164 1.00 0.00 C ATOM 1327 CE2 PHE A 86 -5.605 9.364 -1.637 1.00 0.00 C ATOM 1328 CZ PHE A 86 -4.377 9.970 -1.817 1.00 0.00 C ATOM 0 H PHE A 86 -5.086 3.386 -1.659 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.834 4.819 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -4.779 5.509 -3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -5.742 5.421 -1.941 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.548 7.253 -2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.694 7.529 -1.665 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -2.316 9.679 -2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -6.466 9.957 -1.365 1.00 0.00 H new ATOM 0 HZ PHE A 86 -4.276 11.037 -1.687 1.00 0.00 H new ATOM 1338 N LEU A 87 -4.093 5.958 0.501 1.00 0.00 N ATOM 1339 CA LEU A 87 -3.752 6.663 1.731 1.00 0.00 C ATOM 1340 C LEU A 87 -2.381 6.232 2.244 1.00 0.00 C ATOM 1341 O LEU A 87 -1.464 7.046 2.356 1.00 0.00 O ATOM 1342 CB LEU A 87 -4.813 6.404 2.802 1.00 0.00 C ATOM 1343 CG LEU A 87 -6.116 7.192 2.660 1.00 0.00 C ATOM 1344 CD1 LEU A 87 -7.228 6.534 3.462 1.00 0.00 C ATOM 1345 CD2 LEU A 87 -5.918 8.634 3.103 1.00 0.00 C ATOM 0 H LEU A 87 -5.079 5.712 0.416 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.719 7.730 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -5.053 5.341 2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.380 6.630 3.776 1.00 0.00 H new ATOM 0 HG LEU A 87 -6.405 7.192 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.147 7.109 3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.387 5.519 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.947 6.502 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.855 9.180 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.604 8.654 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -5.152 9.103 2.485 1.00 0.00 H new ATOM 1357 N LYS A 88 -2.248 4.947 2.552 1.00 0.00 N ATOM 1358 CA LYS A 88 -0.988 4.406 3.049 1.00 0.00 C ATOM 1359 C LYS A 88 0.192 4.959 2.258 1.00 0.00 C ATOM 1360 O LYS A 88 1.160 5.454 2.834 1.00 0.00 O ATOM 1361 CB LYS A 88 -0.999 2.877 2.968 1.00 0.00 C ATOM 1362 CG LYS A 88 0.219 2.226 3.601 1.00 0.00 C ATOM 1363 CD LYS A 88 0.205 0.718 3.414 1.00 0.00 C ATOM 1364 CE LYS A 88 0.736 0.321 2.045 1.00 0.00 C ATOM 1365 NZ LYS A 88 2.213 0.129 2.058 1.00 0.00 N ATOM 0 H LYS A 88 -2.997 4.260 2.466 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.877 4.708 4.090 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.897 2.502 3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.058 2.577 1.922 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.125 2.640 3.159 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.247 2.461 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 88 0.810 0.248 4.190 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.812 0.345 3.533 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.253 -0.601 1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.476 1.090 1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.523 -0.238 1.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.680 1.040 2.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.468 -0.549 2.804 1.00 0.00 H new ATOM 1379 N ALA A 89 0.104 4.873 0.934 1.00 0.00 N ATOM 1380 CA ALA A 89 1.163 5.369 0.064 1.00 0.00 C ATOM 1381 C ALA A 89 1.712 6.699 0.570 1.00 0.00 C ATOM 1382 O ALA A 89 2.877 6.794 0.953 1.00 0.00 O ATOM 1383 CB ALA A 89 0.650 5.515 -1.361 1.00 0.00 C ATOM 0 H ALA A 89 -0.690 4.464 0.441 1.00 0.00 H new ATOM 0 HA ALA A 89 1.976 4.644 0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 89 1.451 5.886 -2.000 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.313 4.545 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.183 6.218 -1.378 1.00 0.00 H new ATOM 1389 N ASN A 90 0.864 7.722 0.568 1.00 0.00 N ATOM 1390 CA ASN A 90 1.266 9.048 1.026 1.00 0.00 C ATOM 1391 C ASN A 90 1.562 9.040 2.523 1.00 0.00 C ATOM 1392 O ASN A 90 2.686 9.312 2.945 1.00 0.00 O ATOM 1393 CB ASN A 90 0.170 10.070 0.717 1.00 0.00 C ATOM 1394 CG ASN A 90 0.727 11.463 0.490 1.00 0.00 C ATOM 1395 OD1 ASN A 90 1.666 11.650 -0.283 1.00 0.00 O ATOM 1396 ND2 ASN A 90 0.148 12.448 1.166 1.00 0.00 N ATOM 0 H ASN A 90 -0.105 7.659 0.255 1.00 0.00 H new ATOM 0 HA ASN A 90 2.176 9.329 0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -0.380 9.753 -0.169 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -0.542 10.096 1.542 1.00 0.00 H new ATOM 0 HD21 ASN A 90 0.479 13.406 1.055 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -0.628 12.246 1.796 1.00 0.00 H new ATOM 1403 N ILE A 91 0.546 8.725 3.319 1.00 0.00 N ATOM 1404 CA ILE A 91 0.698 8.680 4.768 1.00 0.00 C ATOM 1405 C ILE A 91 2.053 8.101 5.161 1.00 0.00 C ATOM 1406 O ILE A 91 2.893 8.795 5.736 1.00 0.00 O ATOM 1407 CB ILE A 91 -0.416 7.843 5.425 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -1.734 8.619 5.426 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -0.021 7.457 6.843 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -2.941 7.759 5.733 1.00 0.00 C ATOM 0 H ILE A 91 -0.391 8.497 2.985 1.00 0.00 H new ATOM 0 HA ILE A 91 0.628 9.708 5.125 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.555 6.930 4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.673 9.422 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.871 9.089 4.452 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -0.818 6.866 7.295 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.897 6.870 6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.141 8.359 7.434 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.840 8.375 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.027 6.972 4.984 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.826 7.310 6.720 1.00 0.00 H new ATOM 1422 N LEU A 92 2.259 6.828 4.846 1.00 0.00 N ATOM 1423 CA LEU A 92 3.514 6.155 5.164 1.00 0.00 C ATOM 1424 C LEU A 92 4.695 6.869 4.514 1.00 0.00 C ATOM 1425 O LEU A 92 5.821 6.801 5.005 1.00 0.00 O ATOM 1426 CB LEU A 92 3.466 4.698 4.701 1.00 0.00 C ATOM 1427 CG LEU A 92 2.596 3.757 5.535 1.00 0.00 C ATOM 1428 CD1 LEU A 92 2.866 2.308 5.159 1.00 0.00 C ATOM 1429 CD2 LEU A 92 2.843 3.979 7.020 1.00 0.00 C ATOM 0 H LEU A 92 1.574 6.240 4.371 1.00 0.00 H new ATOM 0 HA LEU A 92 3.648 6.182 6.245 1.00 0.00 H new ATOM 0 HB2 LEU A 92 3.107 4.676 3.672 1.00 0.00 H new ATOM 0 HB3 LEU A 92 4.483 4.307 4.692 1.00 0.00 H new ATOM 0 HG LEU A 92 1.550 3.977 5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.238 1.652 5.762 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.639 2.158 4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.915 2.074 5.341 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.216 3.301 7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 92 3.891 3.786 7.247 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.599 5.009 7.279 1.00 0.00 H new ATOM 1441 N GLY A 93 4.429 7.555 3.406 1.00 0.00 N ATOM 1442 CA GLY A 93 5.478 8.273 2.708 1.00 0.00 C ATOM 1443 C GLY A 93 5.865 9.560 3.409 1.00 0.00 C ATOM 1444 O GLY A 93 6.902 10.153 3.107 1.00 0.00 O ATOM 0 H GLY A 93 3.505 7.626 2.980 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.356 7.633 2.620 1.00 0.00 H new ATOM 0 HA3 GLY A 93 5.146 8.500 1.695 1.00 0.00 H new ATOM 1448 N LEU A 94 5.030 9.996 4.345 1.00 0.00 N ATOM 1449 CA LEU A 94 5.289 11.223 5.090 1.00 0.00 C ATOM 1450 C LEU A 94 6.469 11.045 6.040 1.00 0.00 C ATOM 1451 O LEU A 94 7.396 11.854 6.052 1.00 0.00 O ATOM 1452 CB LEU A 94 4.044 11.638 5.877 1.00 0.00 C ATOM 1453 CG LEU A 94 2.901 12.239 5.058 1.00 0.00 C ATOM 1454 CD1 LEU A 94 1.585 12.119 5.810 1.00 0.00 C ATOM 1455 CD2 LEU A 94 3.195 13.694 4.721 1.00 0.00 C ATOM 0 H LEU A 94 4.168 9.518 4.606 1.00 0.00 H new ATOM 0 HA LEU A 94 5.537 12.007 4.375 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.665 10.763 6.406 1.00 0.00 H new ATOM 0 HB3 LEU A 94 4.342 12.363 6.634 1.00 0.00 H new ATOM 0 HG LEU A 94 2.814 11.681 4.126 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.783 12.552 5.212 1.00 0.00 H new ATOM 0 HD12 LEU A 94 1.369 11.068 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 94 1.658 12.651 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 94 2.371 14.106 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.309 14.265 5.642 1.00 0.00 H new ATOM 0 HD23 LEU A 94 4.116 13.754 4.141 1.00 0.00 H new ATOM 1467 N ALA A 95 6.428 9.979 6.833 1.00 0.00 N ATOM 1468 CA ALA A 95 7.495 9.693 7.783 1.00 0.00 C ATOM 1469 C ALA A 95 8.863 9.993 7.179 1.00 0.00 C ATOM 1470 O ALA A 95 9.790 10.390 7.884 1.00 0.00 O ATOM 1471 CB ALA A 95 7.423 8.242 8.236 1.00 0.00 C ATOM 0 H ALA A 95 5.667 9.300 6.836 1.00 0.00 H new ATOM 0 HA ALA A 95 7.360 10.340 8.650 1.00 0.00 H new ATOM 0 HB1 ALA A 95 8.226 8.042 8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.461 8.058 8.715 1.00 0.00 H new ATOM 0 HB3 ALA A 95 7.530 7.586 7.372 1.00 0.00 H new ATOM 1477 N ALA A 96 8.982 9.800 5.869 1.00 0.00 N ATOM 1478 CA ALA A 96 10.236 10.051 5.170 1.00 0.00 C ATOM 1479 C ALA A 96 10.566 11.540 5.154 1.00 0.00 C ATOM 1480 O ALA A 96 11.670 11.945 5.515 1.00 0.00 O ATOM 1481 CB ALA A 96 10.167 9.508 3.751 1.00 0.00 C ATOM 0 H ALA A 96 8.225 9.470 5.271 1.00 0.00 H new ATOM 0 HA ALA A 96 11.032 9.535 5.706 1.00 0.00 H new ATOM 0 HB1 ALA A 96 11.110 9.702 3.241 1.00 0.00 H new ATOM 0 HB2 ALA A 96 9.985 8.434 3.781 1.00 0.00 H new ATOM 0 HB3 ALA A 96 9.356 9.998 3.213 1.00 0.00 H new ATOM 1487 N GLY A 97 9.601 12.351 4.730 1.00 0.00 N ATOM 1488 CA GLY A 97 9.810 13.786 4.673 1.00 0.00 C ATOM 1489 C GLY A 97 9.124 14.517 5.811 1.00 0.00 C ATOM 1490 O GLY A 97 8.327 15.427 5.581 1.00 0.00 O ATOM 0 H GLY A 97 8.679 12.040 4.425 1.00 0.00 H new ATOM 0 HA2 GLY A 97 10.879 13.996 4.702 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.436 14.167 3.723 1.00 0.00 H new ATOM 1494 N GLN A 98 9.432 14.118 7.040 1.00 0.00 N ATOM 1495 CA GLN A 98 8.838 14.740 8.217 1.00 0.00 C ATOM 1496 C GLN A 98 9.835 15.667 8.905 1.00 0.00 C ATOM 1497 O GLN A 98 11.037 15.401 8.921 1.00 0.00 O ATOM 1498 CB GLN A 98 8.357 13.670 9.198 1.00 0.00 C ATOM 1499 CG GLN A 98 6.924 13.223 8.957 1.00 0.00 C ATOM 1500 CD GLN A 98 5.912 14.296 9.303 1.00 0.00 C ATOM 1501 OE1 GLN A 98 5.823 14.737 10.449 1.00 0.00 O ATOM 1502 NE2 GLN A 98 5.141 14.724 8.310 1.00 0.00 N ATOM 0 H GLN A 98 10.090 13.366 7.247 1.00 0.00 H new ATOM 0 HA GLN A 98 7.984 15.333 7.891 1.00 0.00 H new ATOM 0 HB2 GLN A 98 9.015 12.804 9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 98 8.442 14.056 10.214 1.00 0.00 H new ATOM 0 HG2 GLN A 98 6.806 12.942 7.910 1.00 0.00 H new ATOM 0 HG3 GLN A 98 6.721 12.332 9.551 1.00 0.00 H new ATOM 0 HE21 GLN A 98 5.249 14.331 7.375 1.00 0.00 H new ATOM 0 HE22 GLN A 98 4.441 15.446 8.482 1.00 0.00 H new TER 1511 GLN A 98