USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 574 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (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= -0.0658 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.504 K(o=-0.5,f=-1.2) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0144 K(o=-0.014,f=-1.3) USER MOD Single : A 18 GLN : amide:sc= -1.87! C(o=-1.9!,f=-10!) USER MOD Single : A 19 THR OG1 : rot 71:sc= -0.24 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 7:sc= 1.05 USER MOD Single : A 29 GLN : amide:sc= -4.65! C(o=-4.6!,f=-5.3!) USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= -0.141 (180deg=-0.581) USER MOD Single : A 31 TYR OH : rot 165:sc= -0.116 USER MOD Single : A 33 SER OG : rot 180:sc= 0.0171 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 153:sc= -0.0576 (180deg=-1.06) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 94:sc= 1.2 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 57 ASN : amide:sc= -0.11 K(o=-0.11,f=-2.1!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.141 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.730 10.908 -1.482 1.00 0.00 N ATOM 2 CA GLY A 1 16.230 11.473 -2.722 1.00 0.00 C ATOM 3 C GLY A 1 16.236 10.472 -3.859 1.00 0.00 C ATOM 4 O GLY A 1 17.139 10.478 -4.696 1.00 0.00 O ATOM 0 H1 GLY A 1 16.706 11.632 -0.736 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.134 10.103 -1.202 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.709 10.584 -1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.214 11.837 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.839 12.334 -2.997 1.00 0.00 H new ATOM 8 N SER A 2 15.227 9.607 -3.890 1.00 0.00 N ATOM 9 CA SER A 2 15.122 8.591 -4.930 1.00 0.00 C ATOM 10 C SER A 2 13.841 8.772 -5.740 1.00 0.00 C ATOM 11 O SER A 2 12.737 8.700 -5.200 1.00 0.00 O ATOM 12 CB SER A 2 15.154 7.192 -4.311 1.00 0.00 C ATOM 13 OG SER A 2 16.460 6.858 -3.874 1.00 0.00 O ATOM 0 H SER A 2 14.470 9.590 -3.206 1.00 0.00 H new ATOM 0 HA SER A 2 15.974 8.704 -5.600 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.463 7.147 -3.469 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.813 6.459 -5.042 1.00 0.00 H new ATOM 0 HG SER A 2 16.454 5.960 -3.481 1.00 0.00 H new ATOM 19 N SER A 3 13.998 9.009 -7.038 1.00 0.00 N ATOM 20 CA SER A 3 12.855 9.204 -7.923 1.00 0.00 C ATOM 21 C SER A 3 11.869 8.047 -7.800 1.00 0.00 C ATOM 22 O SER A 3 10.684 8.251 -7.542 1.00 0.00 O ATOM 23 CB SER A 3 13.323 9.339 -9.373 1.00 0.00 C ATOM 24 OG SER A 3 12.244 9.673 -10.228 1.00 0.00 O ATOM 0 H SER A 3 14.905 9.071 -7.500 1.00 0.00 H new ATOM 0 HA SER A 3 12.349 10.122 -7.625 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.095 10.106 -9.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.775 8.403 -9.701 1.00 0.00 H new ATOM 0 HG SER A 3 12.570 9.755 -11.149 1.00 0.00 H new ATOM 30 N GLY A 4 12.369 6.829 -7.988 1.00 0.00 N ATOM 31 CA GLY A 4 11.519 5.656 -7.895 1.00 0.00 C ATOM 32 C GLY A 4 12.043 4.494 -8.715 1.00 0.00 C ATOM 33 O GLY A 4 13.036 4.629 -9.431 1.00 0.00 O ATOM 0 H GLY A 4 13.347 6.634 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.437 5.352 -6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.515 5.911 -8.233 1.00 0.00 H new ATOM 37 N SER A 5 11.376 3.349 -8.610 1.00 0.00 N ATOM 38 CA SER A 5 11.784 2.157 -9.344 1.00 0.00 C ATOM 39 C SER A 5 10.618 1.587 -10.145 1.00 0.00 C ATOM 40 O SER A 5 9.457 1.901 -9.882 1.00 0.00 O ATOM 41 CB SER A 5 12.321 1.098 -8.380 1.00 0.00 C ATOM 42 OG SER A 5 12.772 -0.048 -9.081 1.00 0.00 O ATOM 0 H SER A 5 10.551 3.222 -8.024 1.00 0.00 H new ATOM 0 HA SER A 5 12.575 2.441 -10.038 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.140 1.516 -7.795 1.00 0.00 H new ATOM 0 HB3 SER A 5 11.539 0.813 -7.676 1.00 0.00 H new ATOM 0 HG SER A 5 13.112 -0.709 -8.443 1.00 0.00 H new ATOM 48 N SER A 6 10.936 0.747 -11.125 1.00 0.00 N ATOM 49 CA SER A 6 9.915 0.135 -11.968 1.00 0.00 C ATOM 50 C SER A 6 9.073 -0.856 -11.170 1.00 0.00 C ATOM 51 O SER A 6 9.379 -1.161 -10.018 1.00 0.00 O ATOM 52 CB SER A 6 10.565 -0.573 -13.159 1.00 0.00 C ATOM 53 OG SER A 6 11.342 0.329 -13.927 1.00 0.00 O ATOM 0 H SER A 6 11.892 0.475 -11.355 1.00 0.00 H new ATOM 0 HA SER A 6 9.261 0.926 -12.336 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.195 -1.388 -12.802 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.793 -1.018 -13.787 1.00 0.00 H new ATOM 0 HG SER A 6 11.748 -0.148 -14.681 1.00 0.00 H new ATOM 59 N GLY A 7 8.010 -1.356 -11.793 1.00 0.00 N ATOM 60 CA GLY A 7 7.139 -2.307 -11.127 1.00 0.00 C ATOM 61 C GLY A 7 6.868 -3.535 -11.973 1.00 0.00 C ATOM 62 O GLY A 7 7.732 -3.984 -12.726 1.00 0.00 O ATOM 0 H GLY A 7 7.737 -1.119 -12.747 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.593 -2.612 -10.184 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.194 -1.821 -10.884 1.00 0.00 H new ATOM 66 N LYS A 8 5.663 -4.082 -11.848 1.00 0.00 N ATOM 67 CA LYS A 8 5.279 -5.267 -12.607 1.00 0.00 C ATOM 68 C LYS A 8 3.820 -5.183 -13.045 1.00 0.00 C ATOM 69 O LYS A 8 3.026 -4.452 -12.454 1.00 0.00 O ATOM 70 CB LYS A 8 5.499 -6.528 -11.768 1.00 0.00 C ATOM 71 CG LYS A 8 6.958 -6.929 -11.644 1.00 0.00 C ATOM 72 CD LYS A 8 7.395 -7.811 -12.801 1.00 0.00 C ATOM 73 CE LYS A 8 7.008 -9.264 -12.572 1.00 0.00 C ATOM 74 NZ LYS A 8 7.448 -10.139 -13.694 1.00 0.00 N ATOM 0 H LYS A 8 4.936 -3.724 -11.229 1.00 0.00 H new ATOM 0 HA LYS A 8 5.905 -5.317 -13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.089 -6.367 -10.771 1.00 0.00 H new ATOM 0 HB3 LYS A 8 4.941 -7.352 -12.213 1.00 0.00 H new ATOM 0 HG2 LYS A 8 7.580 -6.035 -11.612 1.00 0.00 H new ATOM 0 HG3 LYS A 8 7.112 -7.458 -10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 8 6.940 -7.453 -13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 8 8.475 -7.737 -12.929 1.00 0.00 H new ATOM 0 HE2 LYS A 8 7.453 -9.616 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 8 5.927 -9.338 -12.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 7.165 -11.121 -13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 7.004 -9.819 -14.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 8.482 -10.089 -13.788 1.00 0.00 H new ATOM 88 N GLY A 9 3.474 -5.937 -14.083 1.00 0.00 N ATOM 89 CA GLY A 9 2.111 -5.934 -14.581 1.00 0.00 C ATOM 90 C GLY A 9 1.214 -6.891 -13.822 1.00 0.00 C ATOM 91 O GLY A 9 1.555 -8.059 -13.638 1.00 0.00 O ATOM 0 H GLY A 9 4.113 -6.550 -14.588 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.704 -4.925 -14.510 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.113 -6.203 -15.637 1.00 0.00 H new ATOM 95 N GLY A 10 0.063 -6.395 -13.377 1.00 0.00 N ATOM 96 CA GLY A 10 -0.867 -7.227 -12.636 1.00 0.00 C ATOM 97 C GLY A 10 -1.397 -6.539 -11.394 1.00 0.00 C ATOM 98 O GLY A 10 -0.684 -6.404 -10.400 1.00 0.00 O ATOM 0 H GLY A 10 -0.242 -5.432 -13.517 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.702 -7.497 -13.282 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.372 -8.155 -12.350 1.00 0.00 H new ATOM 102 N GLN A 11 -2.651 -6.103 -11.450 1.00 0.00 N ATOM 103 CA GLN A 11 -3.275 -5.423 -10.321 1.00 0.00 C ATOM 104 C GLN A 11 -3.025 -6.184 -9.023 1.00 0.00 C ATOM 105 O GLN A 11 -2.536 -7.313 -9.037 1.00 0.00 O ATOM 106 CB GLN A 11 -4.778 -5.272 -10.557 1.00 0.00 C ATOM 107 CG GLN A 11 -5.384 -4.062 -9.864 1.00 0.00 C ATOM 108 CD GLN A 11 -4.541 -2.813 -10.029 1.00 0.00 C ATOM 109 OE1 GLN A 11 -3.797 -2.429 -9.126 1.00 0.00 O ATOM 110 NE2 GLN A 11 -4.653 -2.171 -11.186 1.00 0.00 N ATOM 0 H GLN A 11 -3.255 -6.208 -12.265 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.828 -4.433 -10.232 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -4.963 -5.197 -11.629 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.284 -6.172 -10.208 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -6.381 -3.879 -10.266 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.503 -4.278 -8.802 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.282 -2.525 -11.907 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.110 -1.324 -11.354 1.00 0.00 H new ATOM 119 N VAL A 12 -3.365 -5.557 -7.901 1.00 0.00 N ATOM 120 CA VAL A 12 -3.178 -6.175 -6.594 1.00 0.00 C ATOM 121 C VAL A 12 -4.371 -7.050 -6.224 1.00 0.00 C ATOM 122 O VAL A 12 -5.514 -6.726 -6.545 1.00 0.00 O ATOM 123 CB VAL A 12 -2.973 -5.115 -5.496 1.00 0.00 C ATOM 124 CG1 VAL A 12 -4.166 -4.172 -5.434 1.00 0.00 C ATOM 125 CG2 VAL A 12 -2.740 -5.781 -4.148 1.00 0.00 C ATOM 0 H VAL A 12 -3.771 -4.622 -7.871 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.284 -6.794 -6.662 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.088 -4.528 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.003 -3.430 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.282 -3.669 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -5.069 -4.741 -5.211 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.597 -5.016 -3.384 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -3.604 -6.394 -3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.852 -6.410 -4.202 1.00 0.00 H new ATOM 135 N ARG A 13 -4.096 -8.160 -5.547 1.00 0.00 N ATOM 136 CA ARG A 13 -5.147 -9.082 -5.134 1.00 0.00 C ATOM 137 C ARG A 13 -4.860 -9.647 -3.745 1.00 0.00 C ATOM 138 O ARG A 13 -3.934 -10.438 -3.564 1.00 0.00 O ATOM 139 CB ARG A 13 -5.278 -10.224 -6.143 1.00 0.00 C ATOM 140 CG ARG A 13 -5.862 -9.793 -7.478 1.00 0.00 C ATOM 141 CD ARG A 13 -7.342 -9.467 -7.360 1.00 0.00 C ATOM 142 NE ARG A 13 -7.944 -9.178 -8.659 1.00 0.00 N ATOM 143 CZ ARG A 13 -9.146 -8.631 -8.807 1.00 0.00 C ATOM 144 NH1 ARG A 13 -9.869 -8.315 -7.742 1.00 0.00 N ATOM 145 NH2 ARG A 13 -9.625 -8.399 -10.022 1.00 0.00 N ATOM 0 H ARG A 13 -3.155 -8.442 -5.273 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.086 -8.530 -5.096 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.295 -10.664 -6.311 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.907 -11.005 -5.716 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.324 -8.919 -7.846 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.721 -10.587 -8.211 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.862 -10.306 -6.898 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -7.473 -8.609 -6.701 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.413 -9.409 -9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.503 -8.492 -6.806 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.791 -7.895 -7.858 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.071 -8.641 -10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.548 -7.979 -10.135 1.00 0.00 H new ATOM 159 N PHE A 14 -5.660 -9.234 -2.767 1.00 0.00 N ATOM 160 CA PHE A 14 -5.491 -9.696 -1.395 1.00 0.00 C ATOM 161 C PHE A 14 -6.762 -9.464 -0.583 1.00 0.00 C ATOM 162 O PHE A 14 -7.277 -8.348 -0.521 1.00 0.00 O ATOM 163 CB PHE A 14 -4.312 -8.980 -0.734 1.00 0.00 C ATOM 164 CG PHE A 14 -2.980 -9.348 -1.323 1.00 0.00 C ATOM 165 CD1 PHE A 14 -2.286 -10.455 -0.861 1.00 0.00 C ATOM 166 CD2 PHE A 14 -2.423 -8.589 -2.339 1.00 0.00 C ATOM 167 CE1 PHE A 14 -1.060 -10.795 -1.401 1.00 0.00 C ATOM 168 CE2 PHE A 14 -1.198 -8.925 -2.883 1.00 0.00 C ATOM 169 CZ PHE A 14 -0.516 -10.030 -2.414 1.00 0.00 C ATOM 0 H PHE A 14 -6.432 -8.580 -2.900 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.288 -10.767 -1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.455 -7.903 -0.824 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.306 -9.213 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.708 -11.058 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.953 -7.724 -2.711 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.528 -11.659 -1.031 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.775 -8.324 -3.674 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.441 -10.296 -2.838 1.00 0.00 H new ATOM 179 N SER A 15 -7.262 -10.527 0.039 1.00 0.00 N ATOM 180 CA SER A 15 -8.475 -10.441 0.844 1.00 0.00 C ATOM 181 C SER A 15 -8.339 -9.366 1.918 1.00 0.00 C ATOM 182 O SER A 15 -7.248 -9.118 2.429 1.00 0.00 O ATOM 183 CB SER A 15 -8.777 -11.792 1.495 1.00 0.00 C ATOM 184 OG SER A 15 -9.650 -11.642 2.601 1.00 0.00 O ATOM 0 H SER A 15 -6.846 -11.458 0.001 1.00 0.00 H new ATOM 0 HA SER A 15 -9.300 -10.170 0.185 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.227 -12.460 0.761 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.847 -12.257 1.822 1.00 0.00 H new ATOM 0 HG SER A 15 -9.829 -12.520 2.998 1.00 0.00 H new ATOM 190 N ASN A 16 -9.457 -8.730 2.255 1.00 0.00 N ATOM 191 CA ASN A 16 -9.464 -7.681 3.267 1.00 0.00 C ATOM 192 C ASN A 16 -8.498 -8.012 4.401 1.00 0.00 C ATOM 193 O ASN A 16 -7.545 -7.275 4.653 1.00 0.00 O ATOM 194 CB ASN A 16 -10.876 -7.490 3.824 1.00 0.00 C ATOM 195 CG ASN A 16 -11.007 -6.222 4.646 1.00 0.00 C ATOM 196 OD1 ASN A 16 -10.192 -5.307 4.530 1.00 0.00 O ATOM 197 ND2 ASN A 16 -12.037 -6.164 5.483 1.00 0.00 N ATOM 0 H ASN A 16 -10.369 -8.923 1.842 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.138 -6.754 2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.588 -7.460 2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -11.139 -8.349 4.441 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.177 -5.337 6.063 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.688 -6.947 5.546 1.00 0.00 H new ATOM 204 N ASP A 17 -8.752 -9.124 5.080 1.00 0.00 N ATOM 205 CA ASP A 17 -7.904 -9.555 6.186 1.00 0.00 C ATOM 206 C ASP A 17 -6.480 -9.821 5.708 1.00 0.00 C ATOM 207 O ASP A 17 -5.520 -9.286 6.262 1.00 0.00 O ATOM 208 CB ASP A 17 -8.480 -10.813 6.838 1.00 0.00 C ATOM 209 CG ASP A 17 -7.477 -11.509 7.738 1.00 0.00 C ATOM 210 OD1 ASP A 17 -7.146 -10.948 8.803 1.00 0.00 O ATOM 211 OD2 ASP A 17 -7.023 -12.615 7.377 1.00 0.00 O ATOM 0 H ASP A 17 -9.538 -9.744 4.885 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.876 -8.753 6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.362 -10.546 7.420 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -8.808 -11.504 6.061 1.00 0.00 H new ATOM 216 N GLN A 18 -6.353 -10.651 4.678 1.00 0.00 N ATOM 217 CA GLN A 18 -5.045 -10.989 4.127 1.00 0.00 C ATOM 218 C GLN A 18 -4.148 -9.757 4.061 1.00 0.00 C ATOM 219 O GLN A 18 -3.003 -9.785 4.515 1.00 0.00 O ATOM 220 CB GLN A 18 -5.198 -11.598 2.733 1.00 0.00 C ATOM 221 CG GLN A 18 -5.365 -13.109 2.744 1.00 0.00 C ATOM 222 CD GLN A 18 -5.744 -13.665 1.386 1.00 0.00 C ATOM 223 OE1 GLN A 18 -5.950 -12.915 0.431 1.00 0.00 O ATOM 224 NE2 GLN A 18 -5.838 -14.986 1.291 1.00 0.00 N ATOM 0 H GLN A 18 -7.138 -11.102 4.208 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.579 -11.721 4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.061 -11.149 2.242 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.323 -11.342 2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.435 -13.571 3.074 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -6.131 -13.381 3.470 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.659 -15.570 2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.089 -15.417 0.401 1.00 0.00 H new ATOM 233 N THR A 19 -4.674 -8.677 3.493 1.00 0.00 N ATOM 234 CA THR A 19 -3.920 -7.436 3.366 1.00 0.00 C ATOM 235 C THR A 19 -3.560 -6.869 4.735 1.00 0.00 C ATOM 236 O THR A 19 -2.402 -6.542 4.996 1.00 0.00 O ATOM 237 CB THR A 19 -4.711 -6.377 2.576 1.00 0.00 C ATOM 238 OG1 THR A 19 -5.089 -6.900 1.298 1.00 0.00 O ATOM 239 CG2 THR A 19 -3.885 -5.113 2.388 1.00 0.00 C ATOM 0 H THR A 19 -5.620 -8.636 3.113 1.00 0.00 H new ATOM 0 HA THR A 19 -3.006 -7.675 2.823 1.00 0.00 H new ATOM 0 HB THR A 19 -5.606 -6.126 3.145 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.779 -7.586 1.416 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.465 -4.380 1.827 1.00 0.00 H new ATOM 0 HG22 THR A 19 -3.624 -4.701 3.363 1.00 0.00 H new ATOM 0 HG23 THR A 19 -2.974 -5.352 1.839 1.00 0.00 H new ATOM 247 N ILE A 20 -4.559 -6.756 5.604 1.00 0.00 N ATOM 248 CA ILE A 20 -4.346 -6.229 6.947 1.00 0.00 C ATOM 249 C ILE A 20 -3.080 -6.808 7.570 1.00 0.00 C ATOM 250 O ILE A 20 -2.207 -6.070 8.024 1.00 0.00 O ATOM 251 CB ILE A 20 -5.543 -6.533 7.867 1.00 0.00 C ATOM 252 CG1 ILE A 20 -6.757 -5.698 7.454 1.00 0.00 C ATOM 253 CG2 ILE A 20 -5.177 -6.264 9.319 1.00 0.00 C ATOM 254 CD1 ILE A 20 -8.066 -6.222 8.002 1.00 0.00 C ATOM 0 H ILE A 20 -5.523 -7.022 5.403 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.239 -5.149 6.849 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.800 -7.587 7.767 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -6.615 -4.672 7.794 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.814 -5.668 6.366 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.033 -6.484 9.957 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -4.338 -6.898 9.606 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.897 -5.217 9.436 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -8.882 -5.581 7.669 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.231 -7.237 7.641 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.029 -6.226 9.091 1.00 0.00 H new ATOM 266 N GLU A 21 -2.988 -8.135 7.586 1.00 0.00 N ATOM 267 CA GLU A 21 -1.828 -8.812 8.152 1.00 0.00 C ATOM 268 C GLU A 21 -0.591 -8.589 7.287 1.00 0.00 C ATOM 269 O GLU A 21 0.454 -8.161 7.778 1.00 0.00 O ATOM 270 CB GLU A 21 -2.103 -10.311 8.291 1.00 0.00 C ATOM 271 CG GLU A 21 -2.744 -10.692 9.615 1.00 0.00 C ATOM 272 CD GLU A 21 -1.722 -11.021 10.685 1.00 0.00 C ATOM 273 OE1 GLU A 21 -1.118 -10.079 11.239 1.00 0.00 O ATOM 274 OE2 GLU A 21 -1.527 -12.222 10.969 1.00 0.00 O ATOM 0 H GLU A 21 -3.702 -8.761 7.214 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.640 -8.391 9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.754 -10.629 7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.165 -10.856 8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.373 -9.871 9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.396 -11.552 9.464 1.00 0.00 H new ATOM 281 N LEU A 22 -0.718 -8.882 5.998 1.00 0.00 N ATOM 282 CA LEU A 22 0.389 -8.714 5.063 1.00 0.00 C ATOM 283 C LEU A 22 1.153 -7.425 5.349 1.00 0.00 C ATOM 284 O LEU A 22 2.352 -7.333 5.090 1.00 0.00 O ATOM 285 CB LEU A 22 -0.130 -8.703 3.624 1.00 0.00 C ATOM 286 CG LEU A 22 -0.331 -10.072 2.973 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.152 -9.942 1.699 1.00 0.00 C ATOM 288 CD2 LEU A 22 1.011 -10.726 2.680 1.00 0.00 C ATOM 0 H LEU A 22 -1.576 -9.237 5.576 1.00 0.00 H new ATOM 0 HA LEU A 22 1.071 -9.555 5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -1.081 -8.171 3.606 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.567 -8.131 3.012 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.877 -10.707 3.670 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.285 -10.926 1.250 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.127 -9.517 1.936 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.633 -9.290 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.848 -11.699 2.217 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.584 -10.093 2.002 1.00 0.00 H new ATOM 0 HD23 LEU A 22 1.564 -10.855 3.611 1.00 0.00 H new ATOM 300 N GLU A 23 0.450 -6.433 5.887 1.00 0.00 N ATOM 301 CA GLU A 23 1.064 -5.151 6.211 1.00 0.00 C ATOM 302 C GLU A 23 1.692 -5.183 7.600 1.00 0.00 C ATOM 303 O GLU A 23 2.893 -4.961 7.757 1.00 0.00 O ATOM 304 CB GLU A 23 0.025 -4.030 6.135 1.00 0.00 C ATOM 305 CG GLU A 23 -0.626 -3.894 4.768 1.00 0.00 C ATOM 306 CD GLU A 23 -1.081 -2.478 4.477 1.00 0.00 C ATOM 307 OE1 GLU A 23 -1.473 -1.773 5.431 1.00 0.00 O ATOM 308 OE2 GLU A 23 -1.047 -2.074 3.296 1.00 0.00 O ATOM 0 H GLU A 23 -0.544 -6.493 6.107 1.00 0.00 H new ATOM 0 HA GLU A 23 1.850 -4.959 5.481 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.749 -4.213 6.880 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.502 -3.086 6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.081 -4.210 4.000 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.482 -4.566 4.709 1.00 0.00 H new ATOM 315 N LYS A 24 0.872 -5.460 8.608 1.00 0.00 N ATOM 316 CA LYS A 24 1.345 -5.523 9.986 1.00 0.00 C ATOM 317 C LYS A 24 2.669 -6.275 10.073 1.00 0.00 C ATOM 318 O LYS A 24 3.484 -6.018 10.959 1.00 0.00 O ATOM 319 CB LYS A 24 0.301 -6.202 10.875 1.00 0.00 C ATOM 320 CG LYS A 24 -1.018 -5.453 10.945 1.00 0.00 C ATOM 321 CD LYS A 24 -2.174 -6.388 11.258 1.00 0.00 C ATOM 322 CE LYS A 24 -2.364 -6.559 12.757 1.00 0.00 C ATOM 323 NZ LYS A 24 -3.388 -7.592 13.073 1.00 0.00 N ATOM 0 H LYS A 24 -0.125 -5.645 8.496 1.00 0.00 H new ATOM 0 HA LYS A 24 1.503 -4.503 10.336 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.118 -7.209 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.705 -6.304 11.882 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.958 -4.679 11.710 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.203 -4.950 9.996 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.090 -5.996 10.817 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.991 -7.360 10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.414 -6.838 13.214 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.662 -5.607 13.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -3.487 -7.678 14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.301 -7.314 12.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.092 -8.507 12.676 1.00 0.00 H new ATOM 337 N LYS A 25 2.879 -7.204 9.146 1.00 0.00 N ATOM 338 CA LYS A 25 4.105 -7.992 9.115 1.00 0.00 C ATOM 339 C LYS A 25 5.263 -7.175 8.551 1.00 0.00 C ATOM 340 O LYS A 25 6.318 -7.060 9.177 1.00 0.00 O ATOM 341 CB LYS A 25 3.903 -9.256 8.276 1.00 0.00 C ATOM 342 CG LYS A 25 5.051 -10.245 8.379 1.00 0.00 C ATOM 343 CD LYS A 25 5.139 -10.854 9.768 1.00 0.00 C ATOM 344 CE LYS A 25 5.976 -12.124 9.768 1.00 0.00 C ATOM 345 NZ LYS A 25 5.741 -12.943 10.989 1.00 0.00 N ATOM 0 H LYS A 25 2.215 -7.429 8.405 1.00 0.00 H new ATOM 0 HA LYS A 25 4.349 -8.278 10.138 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.982 -9.747 8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.772 -8.972 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.918 -11.036 7.641 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.988 -9.742 8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.574 -10.130 10.457 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.136 -11.078 10.132 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.739 -12.715 8.883 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.032 -11.863 9.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.330 -13.800 10.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.991 -12.388 11.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.738 -13.214 11.038 1.00 0.00 H new ATOM 359 N PHE A 26 5.059 -6.607 7.367 1.00 0.00 N ATOM 360 CA PHE A 26 6.087 -5.800 6.720 1.00 0.00 C ATOM 361 C PHE A 26 6.665 -4.774 7.691 1.00 0.00 C ATOM 362 O PHE A 26 7.881 -4.614 7.788 1.00 0.00 O ATOM 363 CB PHE A 26 5.509 -5.089 5.494 1.00 0.00 C ATOM 364 CG PHE A 26 6.352 -3.942 5.014 1.00 0.00 C ATOM 365 CD1 PHE A 26 6.221 -2.684 5.580 1.00 0.00 C ATOM 366 CD2 PHE A 26 7.275 -4.121 3.997 1.00 0.00 C ATOM 367 CE1 PHE A 26 6.994 -1.627 5.140 1.00 0.00 C ATOM 368 CE2 PHE A 26 8.052 -3.068 3.553 1.00 0.00 C ATOM 369 CZ PHE A 26 7.912 -1.819 4.126 1.00 0.00 C ATOM 0 H PHE A 26 4.192 -6.691 6.836 1.00 0.00 H new ATOM 0 HA PHE A 26 6.890 -6.465 6.402 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.397 -5.811 4.685 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.511 -4.721 5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.506 -2.528 6.374 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.389 -5.095 3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.881 -0.651 5.589 1.00 0.00 H new ATOM 0 HE2 PHE A 26 8.768 -3.221 2.759 1.00 0.00 H new ATOM 0 HZ PHE A 26 8.519 -0.995 3.782 1.00 0.00 H new ATOM 379 N GLU A 27 5.784 -4.083 8.407 1.00 0.00 N ATOM 380 CA GLU A 27 6.207 -3.072 9.369 1.00 0.00 C ATOM 381 C GLU A 27 7.268 -3.631 10.313 1.00 0.00 C ATOM 382 O GLU A 27 8.300 -3.001 10.547 1.00 0.00 O ATOM 383 CB GLU A 27 5.007 -2.568 10.173 1.00 0.00 C ATOM 384 CG GLU A 27 3.787 -2.264 9.320 1.00 0.00 C ATOM 385 CD GLU A 27 4.120 -1.421 8.105 1.00 0.00 C ATOM 386 OE1 GLU A 27 4.966 -0.511 8.228 1.00 0.00 O ATOM 387 OE2 GLU A 27 3.534 -1.671 7.031 1.00 0.00 O ATOM 0 H GLU A 27 4.774 -4.205 8.339 1.00 0.00 H new ATOM 0 HA GLU A 27 6.640 -2.238 8.816 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.741 -3.316 10.920 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.295 -1.667 10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.333 -3.200 8.995 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.045 -1.744 9.926 1.00 0.00 H new ATOM 394 N THR A 28 7.006 -4.817 10.853 1.00 0.00 N ATOM 395 CA THR A 28 7.936 -5.460 11.773 1.00 0.00 C ATOM 396 C THR A 28 9.169 -5.974 11.038 1.00 0.00 C ATOM 397 O THR A 28 10.232 -6.141 11.634 1.00 0.00 O ATOM 398 CB THR A 28 7.269 -6.632 12.517 1.00 0.00 C ATOM 399 OG1 THR A 28 6.684 -7.540 11.577 1.00 0.00 O ATOM 400 CG2 THR A 28 6.201 -6.127 13.475 1.00 0.00 C ATOM 0 H THR A 28 6.157 -5.352 10.669 1.00 0.00 H new ATOM 0 HA THR A 28 8.238 -4.704 12.498 1.00 0.00 H new ATOM 0 HB THR A 28 8.035 -7.151 13.093 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.928 -7.271 10.667 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.744 -6.973 13.989 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.655 -5.460 14.207 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.437 -5.586 12.916 1.00 0.00 H new ATOM 408 N GLN A 29 9.018 -6.223 9.741 1.00 0.00 N ATOM 409 CA GLN A 29 10.121 -6.718 8.926 1.00 0.00 C ATOM 410 C GLN A 29 9.880 -6.424 7.449 1.00 0.00 C ATOM 411 O GLN A 29 8.969 -6.980 6.834 1.00 0.00 O ATOM 412 CB GLN A 29 10.302 -8.222 9.136 1.00 0.00 C ATOM 413 CG GLN A 29 11.739 -8.691 8.973 1.00 0.00 C ATOM 414 CD GLN A 29 11.847 -10.193 8.801 1.00 0.00 C ATOM 415 OE1 GLN A 29 11.099 -10.955 9.413 1.00 0.00 O ATOM 416 NE2 GLN A 29 12.783 -10.627 7.965 1.00 0.00 N ATOM 0 H GLN A 29 8.144 -6.090 9.233 1.00 0.00 H new ATOM 0 HA GLN A 29 11.030 -6.203 9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.954 -8.485 10.135 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.671 -8.758 8.427 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.182 -8.197 8.108 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.318 -8.387 9.845 1.00 0.00 H new ATOM 0 HE21 GLN A 29 13.381 -9.960 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.904 -11.628 7.809 1.00 0.00 H new ATOM 425 N LYS A 30 10.703 -5.547 6.884 1.00 0.00 N ATOM 426 CA LYS A 30 10.582 -5.179 5.478 1.00 0.00 C ATOM 427 C LYS A 30 10.630 -6.415 4.586 1.00 0.00 C ATOM 428 O LYS A 30 10.078 -6.419 3.485 1.00 0.00 O ATOM 429 CB LYS A 30 11.699 -4.209 5.086 1.00 0.00 C ATOM 430 CG LYS A 30 11.786 -2.986 5.982 1.00 0.00 C ATOM 431 CD LYS A 30 10.726 -1.957 5.624 1.00 0.00 C ATOM 432 CE LYS A 30 10.411 -1.049 6.803 1.00 0.00 C ATOM 433 NZ LYS A 30 9.796 -1.800 7.933 1.00 0.00 N ATOM 0 H LYS A 30 11.462 -5.078 7.379 1.00 0.00 H new ATOM 0 HA LYS A 30 9.618 -4.689 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.652 -4.737 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.542 -3.885 4.057 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.666 -3.287 7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.775 -2.537 5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.070 -1.356 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.817 -2.466 5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.327 -0.566 7.144 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.734 -0.258 6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.225 -1.151 8.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.188 -2.555 7.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.545 -2.219 8.520 1.00 0.00 H new ATOM 447 N TYR A 31 11.291 -7.461 5.068 1.00 0.00 N ATOM 448 CA TYR A 31 11.411 -8.703 4.313 1.00 0.00 C ATOM 449 C TYR A 31 11.145 -9.911 5.206 1.00 0.00 C ATOM 450 O TYR A 31 10.985 -9.778 6.420 1.00 0.00 O ATOM 451 CB TYR A 31 12.803 -8.813 3.690 1.00 0.00 C ATOM 452 CG TYR A 31 12.904 -8.183 2.319 1.00 0.00 C ATOM 453 CD1 TYR A 31 12.784 -6.809 2.153 1.00 0.00 C ATOM 454 CD2 TYR A 31 13.121 -8.962 1.189 1.00 0.00 C ATOM 455 CE1 TYR A 31 12.875 -6.229 0.902 1.00 0.00 C ATOM 456 CE2 TYR A 31 13.215 -8.392 -0.065 1.00 0.00 C ATOM 457 CZ TYR A 31 13.090 -7.025 -0.203 1.00 0.00 C ATOM 458 OH TYR A 31 13.183 -6.451 -1.451 1.00 0.00 O ATOM 0 H TYR A 31 11.752 -7.474 5.978 1.00 0.00 H new ATOM 0 HA TYR A 31 10.665 -8.689 3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 31 13.527 -8.339 4.353 1.00 0.00 H new ATOM 0 HB3 TYR A 31 13.078 -9.865 3.618 1.00 0.00 H new ATOM 0 HD1 TYR A 31 12.617 -6.183 3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 31 13.218 -10.033 1.294 1.00 0.00 H new ATOM 0 HE1 TYR A 31 12.778 -5.159 0.791 1.00 0.00 H new ATOM 0 HE2 TYR A 31 13.385 -9.012 -0.932 1.00 0.00 H new ATOM 0 HH TYR A 31 13.568 -7.096 -2.080 1.00 0.00 H new ATOM 468 N LEU A 32 11.098 -11.090 4.596 1.00 0.00 N ATOM 469 CA LEU A 32 10.852 -12.324 5.334 1.00 0.00 C ATOM 470 C LEU A 32 11.572 -13.501 4.682 1.00 0.00 C ATOM 471 O LEU A 32 11.373 -13.786 3.502 1.00 0.00 O ATOM 472 CB LEU A 32 9.351 -12.607 5.407 1.00 0.00 C ATOM 473 CG LEU A 32 8.495 -11.523 6.064 1.00 0.00 C ATOM 474 CD1 LEU A 32 7.060 -11.602 5.567 1.00 0.00 C ATOM 475 CD2 LEU A 32 8.544 -11.651 7.580 1.00 0.00 C ATOM 0 H LEU A 32 11.227 -11.218 3.592 1.00 0.00 H new ATOM 0 HA LEU A 32 11.241 -12.198 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.982 -12.769 4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 32 9.203 -13.539 5.953 1.00 0.00 H new ATOM 0 HG LEU A 32 8.900 -10.550 5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.466 -10.823 6.045 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.041 -11.461 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.643 -12.579 5.813 1.00 0.00 H new ATOM 0 HD21 LEU A 32 7.929 -10.872 8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 32 8.164 -12.629 7.875 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.574 -11.544 7.921 1.00 0.00 H new ATOM 487 N SER A 33 12.407 -14.182 5.461 1.00 0.00 N ATOM 488 CA SER A 33 13.157 -15.327 4.959 1.00 0.00 C ATOM 489 C SER A 33 12.214 -16.417 4.457 1.00 0.00 C ATOM 490 O SER A 33 11.063 -16.521 4.881 1.00 0.00 O ATOM 491 CB SER A 33 14.066 -15.888 6.055 1.00 0.00 C ATOM 492 OG SER A 33 14.671 -14.845 6.799 1.00 0.00 O ATOM 0 H SER A 33 12.581 -13.961 6.441 1.00 0.00 H new ATOM 0 HA SER A 33 13.771 -14.990 4.124 1.00 0.00 H new ATOM 0 HB2 SER A 33 13.486 -16.526 6.722 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.838 -16.514 5.607 1.00 0.00 H new ATOM 0 HG SER A 33 15.245 -15.229 7.494 1.00 0.00 H new ATOM 498 N PRO A 34 12.713 -17.250 3.532 1.00 0.00 N ATOM 499 CA PRO A 34 11.934 -18.348 2.952 1.00 0.00 C ATOM 500 C PRO A 34 11.222 -19.178 4.015 1.00 0.00 C ATOM 501 O PRO A 34 10.051 -19.531 3.881 1.00 0.00 O ATOM 502 CB PRO A 34 12.989 -19.191 2.232 1.00 0.00 C ATOM 503 CG PRO A 34 14.084 -18.233 1.912 1.00 0.00 C ATOM 504 CD PRO A 34 14.078 -17.185 2.982 1.00 0.00 C ATOM 0 HA PRO A 34 11.142 -17.984 2.298 1.00 0.00 H new ATOM 0 HB2 PRO A 34 13.346 -20.004 2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 34 12.584 -19.645 1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 34 15.046 -18.744 1.879 1.00 0.00 H new ATOM 0 HG3 PRO A 34 13.928 -17.783 0.931 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.827 -17.390 3.747 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.299 -16.198 2.576 1.00 0.00 H new ATOM 512 N PRO A 35 11.945 -19.499 5.099 1.00 0.00 N ATOM 513 CA PRO A 35 11.403 -20.291 6.206 1.00 0.00 C ATOM 514 C PRO A 35 10.041 -19.785 6.669 1.00 0.00 C ATOM 515 O PRO A 35 9.125 -20.571 6.908 1.00 0.00 O ATOM 516 CB PRO A 35 12.444 -20.112 7.314 1.00 0.00 C ATOM 517 CG PRO A 35 13.715 -19.818 6.595 1.00 0.00 C ATOM 518 CD PRO A 35 13.348 -19.112 5.326 1.00 0.00 C ATOM 0 HA PRO A 35 11.238 -21.330 5.921 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.172 -19.298 7.986 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.533 -21.012 7.923 1.00 0.00 H new ATOM 0 HG2 PRO A 35 14.369 -19.196 7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 35 14.259 -20.738 6.381 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.454 -18.032 5.425 1.00 0.00 H new ATOM 0 HD3 PRO A 35 13.987 -19.420 4.498 1.00 0.00 H new ATOM 526 N GLU A 36 9.915 -18.467 6.791 1.00 0.00 N ATOM 527 CA GLU A 36 8.664 -17.857 7.226 1.00 0.00 C ATOM 528 C GLU A 36 7.702 -17.694 6.052 1.00 0.00 C ATOM 529 O GLU A 36 6.643 -18.322 6.012 1.00 0.00 O ATOM 530 CB GLU A 36 8.931 -16.496 7.872 1.00 0.00 C ATOM 531 CG GLU A 36 10.081 -16.510 8.866 1.00 0.00 C ATOM 532 CD GLU A 36 9.632 -16.847 10.274 1.00 0.00 C ATOM 533 OE1 GLU A 36 9.581 -18.050 10.608 1.00 0.00 O ATOM 534 OE2 GLU A 36 9.330 -15.910 11.042 1.00 0.00 O ATOM 0 H GLU A 36 10.663 -17.802 6.595 1.00 0.00 H new ATOM 0 HA GLU A 36 8.205 -18.517 7.962 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.146 -15.768 7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 36 8.027 -16.160 8.380 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.826 -17.237 8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.567 -15.534 8.867 1.00 0.00 H new ATOM 541 N ARG A 37 8.078 -16.847 5.100 1.00 0.00 N ATOM 542 CA ARG A 37 7.249 -16.600 3.926 1.00 0.00 C ATOM 543 C ARG A 37 6.505 -17.865 3.510 1.00 0.00 C ATOM 544 O ARG A 37 5.341 -17.812 3.111 1.00 0.00 O ATOM 545 CB ARG A 37 8.108 -16.095 2.765 1.00 0.00 C ATOM 546 CG ARG A 37 7.315 -15.367 1.692 1.00 0.00 C ATOM 547 CD ARG A 37 8.065 -15.336 0.370 1.00 0.00 C ATOM 548 NE ARG A 37 8.519 -16.664 -0.033 1.00 0.00 N ATOM 549 CZ ARG A 37 9.460 -16.873 -0.948 1.00 0.00 C ATOM 550 NH1 ARG A 37 10.044 -15.846 -1.549 1.00 0.00 N ATOM 551 NH2 ARG A 37 9.819 -18.111 -1.261 1.00 0.00 N ATOM 0 H ARG A 37 8.951 -16.320 5.118 1.00 0.00 H new ATOM 0 HA ARG A 37 6.516 -15.836 4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.874 -15.425 3.156 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.625 -16.941 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.352 -15.858 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.109 -14.348 2.019 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.418 -14.924 -0.404 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.924 -14.670 0.456 1.00 0.00 H new ATOM 0 HE ARG A 37 8.091 -17.476 0.412 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.771 -14.893 -1.310 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.766 -16.009 -2.251 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.373 -18.904 -0.799 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.541 -18.270 -1.963 1.00 0.00 H new ATOM 565 N LYS A 38 7.184 -19.003 3.604 1.00 0.00 N ATOM 566 CA LYS A 38 6.589 -20.283 3.238 1.00 0.00 C ATOM 567 C LYS A 38 5.399 -20.606 4.136 1.00 0.00 C ATOM 568 O LYS A 38 4.328 -20.973 3.653 1.00 0.00 O ATOM 569 CB LYS A 38 7.632 -21.399 3.334 1.00 0.00 C ATOM 570 CG LYS A 38 8.632 -21.397 2.191 1.00 0.00 C ATOM 571 CD LYS A 38 9.960 -22.004 2.611 1.00 0.00 C ATOM 572 CE LYS A 38 9.943 -23.520 2.494 1.00 0.00 C ATOM 573 NZ LYS A 38 11.317 -24.085 2.394 1.00 0.00 N ATOM 0 H LYS A 38 8.148 -19.065 3.931 1.00 0.00 H new ATOM 0 HA LYS A 38 6.236 -20.211 2.209 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.170 -21.302 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.121 -22.361 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.225 -21.957 1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 38 8.791 -20.375 1.847 1.00 0.00 H new ATOM 0 HD2 LYS A 38 10.759 -21.599 1.990 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.182 -21.720 3.640 1.00 0.00 H new ATOM 0 HE2 LYS A 38 9.438 -23.945 3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 38 9.367 -23.810 1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 11.262 -25.121 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.791 -23.699 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.860 -23.830 3.244 1.00 0.00 H new ATOM 587 N ARG A 39 5.594 -20.465 5.443 1.00 0.00 N ATOM 588 CA ARG A 39 4.536 -20.742 6.407 1.00 0.00 C ATOM 589 C ARG A 39 3.439 -19.684 6.329 1.00 0.00 C ATOM 590 O ARG A 39 2.252 -19.997 6.430 1.00 0.00 O ATOM 591 CB ARG A 39 5.110 -20.793 7.825 1.00 0.00 C ATOM 592 CG ARG A 39 5.087 -19.452 8.540 1.00 0.00 C ATOM 593 CD ARG A 39 6.058 -19.428 9.709 1.00 0.00 C ATOM 594 NE ARG A 39 5.463 -19.972 10.927 1.00 0.00 N ATOM 595 CZ ARG A 39 4.429 -19.418 11.550 1.00 0.00 C ATOM 596 NH1 ARG A 39 3.879 -18.310 11.074 1.00 0.00 N ATOM 597 NH2 ARG A 39 3.943 -19.972 12.654 1.00 0.00 N ATOM 0 H ARG A 39 6.474 -20.161 5.858 1.00 0.00 H new ATOM 0 HA ARG A 39 4.101 -21.711 6.163 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.544 -21.517 8.411 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.138 -21.153 7.779 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.342 -18.659 7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.078 -19.247 8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.948 -20.003 9.453 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.382 -18.403 9.890 1.00 0.00 H new ATOM 0 HE ARG A 39 5.863 -20.824 11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.250 -17.880 10.227 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.085 -17.887 11.555 1.00 0.00 H new ATOM 0 HH21 ARG A 39 4.364 -20.824 13.025 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.149 -19.546 13.132 1.00 0.00 H new ATOM 611 N LEU A 40 3.843 -18.432 6.149 1.00 0.00 N ATOM 612 CA LEU A 40 2.895 -17.327 6.058 1.00 0.00 C ATOM 613 C LEU A 40 1.877 -17.574 4.949 1.00 0.00 C ATOM 614 O LEU A 40 0.669 -17.526 5.180 1.00 0.00 O ATOM 615 CB LEU A 40 3.636 -16.013 5.802 1.00 0.00 C ATOM 616 CG LEU A 40 2.856 -14.733 6.108 1.00 0.00 C ATOM 617 CD1 LEU A 40 2.623 -14.595 7.604 1.00 0.00 C ATOM 618 CD2 LEU A 40 3.595 -13.518 5.566 1.00 0.00 C ATOM 0 H LEU A 40 4.821 -18.156 6.063 1.00 0.00 H new ATOM 0 HA LEU A 40 2.363 -17.258 7.007 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.548 -16.011 6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.940 -15.988 4.756 1.00 0.00 H new ATOM 0 HG LEU A 40 1.886 -14.793 5.615 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.067 -13.679 7.803 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.052 -15.451 7.964 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.583 -14.556 8.120 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.027 -12.616 5.792 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.579 -13.453 6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.710 -13.614 4.486 1.00 0.00 H new ATOM 630 N ALA A 41 2.373 -17.840 3.745 1.00 0.00 N ATOM 631 CA ALA A 41 1.507 -18.099 2.602 1.00 0.00 C ATOM 632 C ALA A 41 0.442 -19.135 2.944 1.00 0.00 C ATOM 633 O ALA A 41 -0.632 -19.159 2.342 1.00 0.00 O ATOM 634 CB ALA A 41 2.331 -18.559 1.409 1.00 0.00 C ATOM 0 H ALA A 41 3.371 -17.882 3.536 1.00 0.00 H new ATOM 0 HA ALA A 41 1.001 -17.169 2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.671 -18.749 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 41 3.049 -17.784 1.142 1.00 0.00 H new ATOM 0 HB3 ALA A 41 2.864 -19.474 1.666 1.00 0.00 H new ATOM 640 N LYS A 42 0.746 -19.991 3.913 1.00 0.00 N ATOM 641 CA LYS A 42 -0.185 -21.030 4.336 1.00 0.00 C ATOM 642 C LYS A 42 -1.127 -20.510 5.417 1.00 0.00 C ATOM 643 O LYS A 42 -2.252 -20.990 5.558 1.00 0.00 O ATOM 644 CB LYS A 42 0.581 -22.249 4.856 1.00 0.00 C ATOM 645 CG LYS A 42 -0.318 -23.407 5.256 1.00 0.00 C ATOM 646 CD LYS A 42 0.481 -24.550 5.858 1.00 0.00 C ATOM 647 CE LYS A 42 -0.406 -25.745 6.173 1.00 0.00 C ATOM 648 NZ LYS A 42 -0.702 -26.551 4.956 1.00 0.00 N ATOM 0 H LYS A 42 1.631 -19.986 4.421 1.00 0.00 H new ATOM 0 HA LYS A 42 -0.780 -21.323 3.471 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.274 -22.587 4.086 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.180 -21.951 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.060 -23.061 5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.864 -23.764 4.383 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.266 -24.851 5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.973 -24.211 6.769 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.083 -26.375 6.916 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -1.340 -25.398 6.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -1.309 -27.356 5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -1.192 -25.957 4.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.187 -26.904 4.548 1.00 0.00 H new ATOM 662 N MET A 43 -0.661 -19.525 6.178 1.00 0.00 N ATOM 663 CA MET A 43 -1.464 -18.937 7.244 1.00 0.00 C ATOM 664 C MET A 43 -2.468 -17.937 6.681 1.00 0.00 C ATOM 665 O MET A 43 -3.624 -17.897 7.104 1.00 0.00 O ATOM 666 CB MET A 43 -0.562 -18.249 8.271 1.00 0.00 C ATOM 667 CG MET A 43 -1.282 -17.204 9.108 1.00 0.00 C ATOM 668 SD MET A 43 -0.565 -17.017 10.752 1.00 0.00 S ATOM 669 CE MET A 43 0.669 -15.756 10.441 1.00 0.00 C ATOM 0 H MET A 43 0.268 -19.117 6.076 1.00 0.00 H new ATOM 0 HA MET A 43 -2.015 -19.740 7.734 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.138 -19.004 8.933 1.00 0.00 H new ATOM 0 HB3 MET A 43 0.271 -17.776 7.752 1.00 0.00 H new ATOM 0 HG2 MET A 43 -1.250 -16.245 8.591 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.332 -17.481 9.203 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.856 -15.196 11.357 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.594 -16.227 10.108 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.309 -15.077 9.668 1.00 0.00 H new ATOM 679 N LEU A 44 -2.021 -17.131 5.725 1.00 0.00 N ATOM 680 CA LEU A 44 -2.880 -16.130 5.103 1.00 0.00 C ATOM 681 C LEU A 44 -3.551 -16.688 3.852 1.00 0.00 C ATOM 682 O LEU A 44 -4.288 -15.983 3.164 1.00 0.00 O ATOM 683 CB LEU A 44 -2.070 -14.882 4.747 1.00 0.00 C ATOM 684 CG LEU A 44 -1.304 -14.229 5.898 1.00 0.00 C ATOM 685 CD1 LEU A 44 -0.344 -13.175 5.369 1.00 0.00 C ATOM 686 CD2 LEU A 44 -2.270 -13.618 6.902 1.00 0.00 C ATOM 0 H LEU A 44 -1.068 -17.151 5.363 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.656 -15.860 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.357 -15.146 3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.748 -14.142 4.322 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.722 -14.998 6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.193 -12.721 6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.369 -13.641 4.689 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.905 -12.407 4.836 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.708 -13.158 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.878 -12.861 6.407 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.917 -14.397 7.305 1.00 0.00 H new ATOM 698 N GLN A 45 -3.291 -17.960 3.565 1.00 0.00 N ATOM 699 CA GLN A 45 -3.870 -18.613 2.398 1.00 0.00 C ATOM 700 C GLN A 45 -3.403 -17.942 1.110 1.00 0.00 C ATOM 701 O GLN A 45 -4.171 -17.801 0.158 1.00 0.00 O ATOM 702 CB GLN A 45 -5.398 -18.585 2.477 1.00 0.00 C ATOM 703 CG GLN A 45 -5.963 -19.404 3.626 1.00 0.00 C ATOM 704 CD GLN A 45 -7.375 -19.886 3.360 1.00 0.00 C ATOM 705 OE1 GLN A 45 -8.237 -19.115 2.937 1.00 0.00 O ATOM 706 NE2 GLN A 45 -7.620 -21.167 3.607 1.00 0.00 N ATOM 0 H GLN A 45 -2.683 -18.558 4.125 1.00 0.00 H new ATOM 0 HA GLN A 45 -3.533 -19.649 2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -5.729 -17.552 2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -5.809 -18.959 1.539 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -5.318 -20.264 3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -5.954 -18.802 4.535 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.876 -21.770 3.957 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.553 -21.548 3.447 1.00 0.00 H new ATOM 715 N LEU A 46 -2.141 -17.529 1.089 1.00 0.00 N ATOM 716 CA LEU A 46 -1.571 -16.872 -0.082 1.00 0.00 C ATOM 717 C LEU A 46 -0.500 -17.744 -0.729 1.00 0.00 C ATOM 718 O LEU A 46 -0.255 -18.869 -0.293 1.00 0.00 O ATOM 719 CB LEU A 46 -0.976 -15.518 0.308 1.00 0.00 C ATOM 720 CG LEU A 46 -1.940 -14.521 0.952 1.00 0.00 C ATOM 721 CD1 LEU A 46 -1.177 -13.343 1.538 1.00 0.00 C ATOM 722 CD2 LEU A 46 -2.967 -14.041 -0.064 1.00 0.00 C ATOM 0 H LEU A 46 -1.493 -17.637 1.869 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.371 -16.716 -0.806 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.150 -15.692 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.553 -15.059 -0.586 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.467 -15.025 1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.879 -12.644 1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.481 -13.701 2.296 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.623 -12.838 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.645 -13.332 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.457 -13.554 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.536 -14.893 -0.437 1.00 0.00 H new ATOM 734 N SER A 47 0.137 -17.216 -1.769 1.00 0.00 N ATOM 735 CA SER A 47 1.182 -17.947 -2.477 1.00 0.00 C ATOM 736 C SER A 47 2.556 -17.357 -2.177 1.00 0.00 C ATOM 737 O SER A 47 2.692 -16.155 -1.955 1.00 0.00 O ATOM 738 CB SER A 47 0.921 -17.920 -3.985 1.00 0.00 C ATOM 739 OG SER A 47 0.066 -18.981 -4.374 1.00 0.00 O ATOM 0 H SER A 47 -0.052 -16.285 -2.140 1.00 0.00 H new ATOM 0 HA SER A 47 1.166 -18.981 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.472 -16.966 -4.262 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.866 -17.995 -4.522 1.00 0.00 H new ATOM 0 HG SER A 47 -0.086 -18.940 -5.341 1.00 0.00 H new ATOM 745 N GLU A 48 3.573 -18.214 -2.172 1.00 0.00 N ATOM 746 CA GLU A 48 4.937 -17.779 -1.898 1.00 0.00 C ATOM 747 C GLU A 48 5.312 -16.583 -2.770 1.00 0.00 C ATOM 748 O GLU A 48 6.002 -15.668 -2.322 1.00 0.00 O ATOM 749 CB GLU A 48 5.920 -18.926 -2.137 1.00 0.00 C ATOM 750 CG GLU A 48 6.163 -19.786 -0.907 1.00 0.00 C ATOM 751 CD GLU A 48 7.071 -20.967 -1.191 1.00 0.00 C ATOM 752 OE1 GLU A 48 8.306 -20.789 -1.142 1.00 0.00 O ATOM 753 OE2 GLU A 48 6.547 -22.067 -1.462 1.00 0.00 O ATOM 0 H GLU A 48 3.477 -19.213 -2.355 1.00 0.00 H new ATOM 0 HA GLU A 48 4.991 -17.476 -0.852 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.541 -19.556 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.871 -18.514 -2.476 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.605 -19.173 -0.121 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.208 -20.150 -0.528 1.00 0.00 H new ATOM 760 N ARG A 49 4.852 -16.601 -4.016 1.00 0.00 N ATOM 761 CA ARG A 49 5.140 -15.520 -4.952 1.00 0.00 C ATOM 762 C ARG A 49 4.408 -14.243 -4.550 1.00 0.00 C ATOM 763 O ARG A 49 4.903 -13.138 -4.769 1.00 0.00 O ATOM 764 CB ARG A 49 4.739 -15.925 -6.371 1.00 0.00 C ATOM 765 CG ARG A 49 3.509 -16.817 -6.426 1.00 0.00 C ATOM 766 CD ARG A 49 2.902 -16.843 -7.820 1.00 0.00 C ATOM 767 NE ARG A 49 1.456 -17.044 -7.783 1.00 0.00 N ATOM 768 CZ ARG A 49 0.586 -16.073 -7.529 1.00 0.00 C ATOM 769 NH1 ARG A 49 1.013 -14.841 -7.290 1.00 0.00 N ATOM 770 NH2 ARG A 49 -0.715 -16.334 -7.513 1.00 0.00 N ATOM 0 H ARG A 49 4.279 -17.351 -4.401 1.00 0.00 H new ATOM 0 HA ARG A 49 6.212 -15.327 -4.926 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.551 -15.025 -6.957 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.574 -16.443 -6.842 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.779 -17.830 -6.126 1.00 0.00 H new ATOM 0 HG3 ARG A 49 2.767 -16.460 -5.711 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.125 -15.906 -8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.364 -17.640 -8.402 1.00 0.00 H new ATOM 0 HE ARG A 49 1.095 -17.981 -7.962 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.012 -14.636 -7.301 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.342 -14.098 -7.095 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.047 -17.281 -7.696 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.382 -15.588 -7.318 1.00 0.00 H new ATOM 784 N GLN A 50 3.227 -14.405 -3.962 1.00 0.00 N ATOM 785 CA GLN A 50 2.426 -13.265 -3.531 1.00 0.00 C ATOM 786 C GLN A 50 3.036 -12.607 -2.298 1.00 0.00 C ATOM 787 O GLN A 50 3.036 -11.382 -2.171 1.00 0.00 O ATOM 788 CB GLN A 50 0.992 -13.706 -3.232 1.00 0.00 C ATOM 789 CG GLN A 50 0.090 -13.713 -4.455 1.00 0.00 C ATOM 790 CD GLN A 50 -1.376 -13.564 -4.100 1.00 0.00 C ATOM 791 OE1 GLN A 50 -1.917 -12.457 -4.099 1.00 0.00 O ATOM 792 NE2 GLN A 50 -2.028 -14.679 -3.796 1.00 0.00 N ATOM 0 H GLN A 50 2.804 -15.314 -3.773 1.00 0.00 H new ATOM 0 HA GLN A 50 2.412 -12.535 -4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 50 1.011 -14.706 -2.799 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.566 -13.042 -2.480 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.383 -12.902 -5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.234 -14.644 -5.003 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.540 -15.575 -3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.017 -14.640 -3.549 1.00 0.00 H new ATOM 801 N VAL A 51 3.555 -13.428 -1.390 1.00 0.00 N ATOM 802 CA VAL A 51 4.169 -12.925 -0.167 1.00 0.00 C ATOM 803 C VAL A 51 5.575 -12.399 -0.433 1.00 0.00 C ATOM 804 O VAL A 51 6.115 -11.615 0.347 1.00 0.00 O ATOM 805 CB VAL A 51 4.238 -14.018 0.916 1.00 0.00 C ATOM 806 CG1 VAL A 51 4.604 -13.413 2.263 1.00 0.00 C ATOM 807 CG2 VAL A 51 2.918 -14.768 1.000 1.00 0.00 C ATOM 0 H VAL A 51 3.562 -14.444 -1.479 1.00 0.00 H new ATOM 0 HA VAL A 51 3.541 -12.109 0.190 1.00 0.00 H new ATOM 0 HB VAL A 51 5.017 -14.729 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.648 -14.200 3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.576 -12.925 2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.850 -12.679 2.549 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.985 -15.536 1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.119 -14.071 1.251 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.703 -15.235 0.039 1.00 0.00 H new ATOM 817 N LYS A 52 6.164 -12.836 -1.542 1.00 0.00 N ATOM 818 CA LYS A 52 7.507 -12.409 -1.914 1.00 0.00 C ATOM 819 C LYS A 52 7.458 -11.163 -2.793 1.00 0.00 C ATOM 820 O LYS A 52 8.392 -10.361 -2.804 1.00 0.00 O ATOM 821 CB LYS A 52 8.237 -13.535 -2.649 1.00 0.00 C ATOM 822 CG LYS A 52 8.046 -13.503 -4.156 1.00 0.00 C ATOM 823 CD LYS A 52 9.096 -12.639 -4.833 1.00 0.00 C ATOM 824 CE LYS A 52 10.324 -13.451 -5.216 1.00 0.00 C ATOM 825 NZ LYS A 52 11.053 -12.846 -6.365 1.00 0.00 N ATOM 0 H LYS A 52 5.731 -13.486 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 52 8.050 -12.167 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.302 -13.473 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.886 -14.494 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.098 -14.517 -4.552 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.053 -13.120 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.670 -12.179 -5.725 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.388 -11.829 -4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 52 10.993 -13.523 -4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.022 -14.467 -5.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.883 -13.429 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.422 -12.800 -7.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.363 -11.886 -6.113 1.00 0.00 H new ATOM 839 N THR A 53 6.361 -11.004 -3.527 1.00 0.00 N ATOM 840 CA THR A 53 6.190 -9.856 -4.408 1.00 0.00 C ATOM 841 C THR A 53 5.688 -8.641 -3.636 1.00 0.00 C ATOM 842 O THR A 53 6.289 -7.568 -3.690 1.00 0.00 O ATOM 843 CB THR A 53 5.205 -10.167 -5.551 1.00 0.00 C ATOM 844 OG1 THR A 53 5.693 -11.261 -6.334 1.00 0.00 O ATOM 845 CG2 THR A 53 5.007 -8.948 -6.440 1.00 0.00 C ATOM 0 H THR A 53 5.577 -11.657 -3.528 1.00 0.00 H new ATOM 0 HA THR A 53 7.169 -9.634 -4.832 1.00 0.00 H new ATOM 0 HB THR A 53 4.245 -10.436 -5.111 1.00 0.00 H new ATOM 0 HG1 THR A 53 5.309 -12.099 -6.001 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.308 -9.191 -7.240 1.00 0.00 H new ATOM 0 HG22 THR A 53 4.608 -8.126 -5.846 1.00 0.00 H new ATOM 0 HG23 THR A 53 5.964 -8.653 -6.871 1.00 0.00 H new ATOM 853 N TRP A 54 4.585 -8.817 -2.918 1.00 0.00 N ATOM 854 CA TRP A 54 4.003 -7.733 -2.134 1.00 0.00 C ATOM 855 C TRP A 54 5.071 -7.021 -1.313 1.00 0.00 C ATOM 856 O TRP A 54 5.384 -5.856 -1.560 1.00 0.00 O ATOM 857 CB TRP A 54 2.909 -8.274 -1.212 1.00 0.00 C ATOM 858 CG TRP A 54 2.026 -7.203 -0.645 1.00 0.00 C ATOM 859 CD1 TRP A 54 0.853 -6.745 -1.172 1.00 0.00 C ATOM 860 CD2 TRP A 54 2.248 -6.457 0.556 1.00 0.00 C ATOM 861 NE1 TRP A 54 0.332 -5.758 -0.371 1.00 0.00 N ATOM 862 CE2 TRP A 54 1.168 -5.563 0.696 1.00 0.00 C ATOM 863 CE3 TRP A 54 3.251 -6.458 1.528 1.00 0.00 C ATOM 864 CZ2 TRP A 54 1.067 -4.680 1.768 1.00 0.00 C ATOM 865 CZ3 TRP A 54 3.150 -5.581 2.591 1.00 0.00 C ATOM 866 CH2 TRP A 54 2.064 -4.702 2.705 1.00 0.00 C ATOM 0 H TRP A 54 4.076 -9.699 -2.862 1.00 0.00 H new ATOM 0 HA TRP A 54 3.563 -7.013 -2.825 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.296 -8.985 -1.766 1.00 0.00 H new ATOM 0 HB3 TRP A 54 3.373 -8.824 -0.393 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.401 -7.105 -2.084 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.537 -5.252 -0.543 1.00 0.00 H new ATOM 0 HE3 TRP A 54 4.091 -7.132 1.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.231 -4.002 1.857 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 3.921 -5.573 3.347 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.013 -4.029 3.548 1.00 0.00 H new ATOM 877 N PHE A 55 5.629 -7.727 -0.335 1.00 0.00 N ATOM 878 CA PHE A 55 6.663 -7.161 0.523 1.00 0.00 C ATOM 879 C PHE A 55 7.712 -6.422 -0.304 1.00 0.00 C ATOM 880 O PHE A 55 7.971 -5.239 -0.081 1.00 0.00 O ATOM 881 CB PHE A 55 7.332 -8.263 1.347 1.00 0.00 C ATOM 882 CG PHE A 55 6.515 -8.709 2.526 1.00 0.00 C ATOM 883 CD1 PHE A 55 5.389 -9.496 2.348 1.00 0.00 C ATOM 884 CD2 PHE A 55 6.873 -8.341 3.813 1.00 0.00 C ATOM 885 CE1 PHE A 55 4.635 -9.908 3.430 1.00 0.00 C ATOM 886 CE2 PHE A 55 6.124 -8.750 4.899 1.00 0.00 C ATOM 887 CZ PHE A 55 5.003 -9.534 4.708 1.00 0.00 C ATOM 0 H PHE A 55 5.382 -8.692 -0.117 1.00 0.00 H new ATOM 0 HA PHE A 55 6.189 -6.448 1.198 1.00 0.00 H new ATOM 0 HB2 PHE A 55 7.525 -9.121 0.703 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.299 -7.906 1.700 1.00 0.00 H new ATOM 0 HD1 PHE A 55 5.097 -9.791 1.351 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.748 -7.727 3.969 1.00 0.00 H new ATOM 0 HE1 PHE A 55 3.759 -10.521 3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.415 -8.457 5.897 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.415 -9.854 5.556 1.00 0.00 H new ATOM 897 N GLN A 56 8.311 -7.128 -1.257 1.00 0.00 N ATOM 898 CA GLN A 56 9.332 -6.540 -2.115 1.00 0.00 C ATOM 899 C GLN A 56 8.882 -5.182 -2.644 1.00 0.00 C ATOM 900 O GLN A 56 9.476 -4.153 -2.324 1.00 0.00 O ATOM 901 CB GLN A 56 9.648 -7.476 -3.283 1.00 0.00 C ATOM 902 CG GLN A 56 10.736 -8.490 -2.973 1.00 0.00 C ATOM 903 CD GLN A 56 11.268 -9.175 -4.216 1.00 0.00 C ATOM 904 OE1 GLN A 56 10.543 -9.365 -5.193 1.00 0.00 O ATOM 905 NE2 GLN A 56 12.542 -9.548 -4.187 1.00 0.00 N ATOM 0 H GLN A 56 8.107 -8.108 -1.454 1.00 0.00 H new ATOM 0 HA GLN A 56 10.233 -6.397 -1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.740 -8.006 -3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 56 9.953 -6.880 -4.143 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.557 -7.990 -2.459 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.342 -9.242 -2.289 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.107 -9.371 -3.356 1.00 0.00 H new ATOM 0 HE22 GLN A 56 12.956 -10.012 -4.996 1.00 0.00 H new ATOM 914 N ASN A 57 7.830 -5.187 -3.455 1.00 0.00 N ATOM 915 CA ASN A 57 7.300 -3.955 -4.029 1.00 0.00 C ATOM 916 C ASN A 57 7.079 -2.902 -2.948 1.00 0.00 C ATOM 917 O ASN A 57 7.682 -1.829 -2.979 1.00 0.00 O ATOM 918 CB ASN A 57 5.987 -4.233 -4.763 1.00 0.00 C ATOM 919 CG ASN A 57 6.208 -4.712 -6.185 1.00 0.00 C ATOM 920 OD1 ASN A 57 7.336 -4.725 -6.678 1.00 0.00 O ATOM 921 ND2 ASN A 57 5.130 -5.107 -6.851 1.00 0.00 N ATOM 0 H ASN A 57 7.327 -6.031 -3.730 1.00 0.00 H new ATOM 0 HA ASN A 57 8.031 -3.571 -4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.419 -4.984 -4.214 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.384 -3.325 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.217 -5.439 -7.812 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.215 -5.079 -6.402 1.00 0.00 H new ATOM 928 N ARG A 58 6.211 -3.217 -1.992 1.00 0.00 N ATOM 929 CA ARG A 58 5.910 -2.298 -0.901 1.00 0.00 C ATOM 930 C ARG A 58 7.184 -1.649 -0.369 1.00 0.00 C ATOM 931 O ARG A 58 7.311 -0.424 -0.360 1.00 0.00 O ATOM 932 CB ARG A 58 5.190 -3.035 0.230 1.00 0.00 C ATOM 933 CG ARG A 58 4.481 -2.109 1.205 1.00 0.00 C ATOM 934 CD ARG A 58 3.383 -1.312 0.518 1.00 0.00 C ATOM 935 NE ARG A 58 2.476 -2.169 -0.239 1.00 0.00 N ATOM 936 CZ ARG A 58 1.447 -1.711 -0.943 1.00 0.00 C ATOM 937 NH1 ARG A 58 1.197 -0.409 -0.987 1.00 0.00 N ATOM 938 NH2 ARG A 58 0.666 -2.554 -1.606 1.00 0.00 N ATOM 0 H ARG A 58 5.704 -4.101 -1.951 1.00 0.00 H new ATOM 0 HA ARG A 58 5.259 -1.515 -1.288 1.00 0.00 H new ATOM 0 HB2 ARG A 58 4.462 -3.722 -0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 58 5.913 -3.640 0.777 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.053 -2.694 2.018 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.204 -1.426 1.651 1.00 0.00 H new ATOM 0 HD2 ARG A 58 2.817 -0.756 1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.832 -0.579 -0.152 1.00 0.00 H new ATOM 0 HE ARG A 58 2.642 -3.175 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.796 0.243 -0.480 1.00 0.00 H new ATOM 0 HH12 ARG A 58 0.406 -0.060 -1.528 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.855 -3.556 -1.576 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.124 -2.200 -2.146 1.00 0.00 H new ATOM 952 N ARG A 59 8.124 -2.477 0.073 1.00 0.00 N ATOM 953 CA ARG A 59 9.388 -1.984 0.608 1.00 0.00 C ATOM 954 C ARG A 59 9.952 -0.871 -0.271 1.00 0.00 C ATOM 955 O ARG A 59 10.183 0.244 0.196 1.00 0.00 O ATOM 956 CB ARG A 59 10.400 -3.125 0.717 1.00 0.00 C ATOM 957 CG ARG A 59 11.399 -2.947 1.849 1.00 0.00 C ATOM 958 CD ARG A 59 12.509 -1.981 1.465 1.00 0.00 C ATOM 959 NE ARG A 59 13.442 -2.572 0.509 1.00 0.00 N ATOM 960 CZ ARG A 59 14.417 -3.406 0.852 1.00 0.00 C ATOM 961 NH1 ARG A 59 14.585 -3.747 2.122 1.00 0.00 N ATOM 962 NH2 ARG A 59 15.225 -3.902 -0.076 1.00 0.00 N ATOM 0 H ARG A 59 8.035 -3.493 0.071 1.00 0.00 H new ATOM 0 HA ARG A 59 9.200 -1.579 1.602 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.863 -4.063 0.861 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.942 -3.210 -0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.884 -2.577 2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.830 -3.913 2.111 1.00 0.00 H new ATOM 0 HD2 ARG A 59 12.072 -1.079 1.036 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.051 -1.677 2.360 1.00 0.00 H new ATOM 0 HE ARG A 59 13.339 -2.331 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.965 -3.369 2.838 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.334 -4.388 2.383 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.098 -3.643 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.973 -4.542 0.189 1.00 0.00 H new ATOM 976 N ALA A 60 10.172 -1.183 -1.544 1.00 0.00 N ATOM 977 CA ALA A 60 10.707 -0.209 -2.487 1.00 0.00 C ATOM 978 C ALA A 60 10.100 1.171 -2.256 1.00 0.00 C ATOM 979 O ALA A 60 10.782 2.189 -2.377 1.00 0.00 O ATOM 980 CB ALA A 60 10.456 -0.666 -3.917 1.00 0.00 C ATOM 0 H ALA A 60 9.988 -2.102 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 60 11.782 -0.135 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.861 0.071 -4.611 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.944 -1.627 -4.083 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.384 -0.770 -4.083 1.00 0.00 H new ATOM 986 N LYS A 61 8.814 1.198 -1.924 1.00 0.00 N ATOM 987 CA LYS A 61 8.114 2.453 -1.676 1.00 0.00 C ATOM 988 C LYS A 61 8.546 3.062 -0.345 1.00 0.00 C ATOM 989 O LYS A 61 8.890 4.242 -0.276 1.00 0.00 O ATOM 990 CB LYS A 61 6.601 2.225 -1.677 1.00 0.00 C ATOM 991 CG LYS A 61 5.798 3.479 -1.976 1.00 0.00 C ATOM 992 CD LYS A 61 4.303 3.217 -1.894 1.00 0.00 C ATOM 993 CE LYS A 61 3.501 4.493 -2.099 1.00 0.00 C ATOM 994 NZ LYS A 61 2.056 4.210 -2.321 1.00 0.00 N ATOM 0 H LYS A 61 8.235 0.365 -1.820 1.00 0.00 H new ATOM 0 HA LYS A 61 8.371 3.148 -2.475 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.357 1.462 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.300 1.834 -0.705 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.070 4.263 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.050 3.845 -2.971 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.019 2.483 -2.648 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.061 2.786 -0.923 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.615 5.138 -1.228 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.900 5.039 -2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.544 5.105 -2.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.945 3.616 -3.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.669 3.711 -1.494 1.00 0.00 H new ATOM 1008 N TRP A 62 8.526 2.251 0.706 1.00 0.00 N ATOM 1009 CA TRP A 62 8.917 2.711 2.033 1.00 0.00 C ATOM 1010 C TRP A 62 10.240 3.466 1.980 1.00 0.00 C ATOM 1011 O TRP A 62 10.413 4.481 2.655 1.00 0.00 O ATOM 1012 CB TRP A 62 9.031 1.525 2.993 1.00 0.00 C ATOM 1013 CG TRP A 62 9.834 1.831 4.222 1.00 0.00 C ATOM 1014 CD1 TRP A 62 9.424 2.543 5.312 1.00 0.00 C ATOM 1015 CD2 TRP A 62 11.184 1.434 4.483 1.00 0.00 C ATOM 1016 NE1 TRP A 62 10.439 2.614 6.236 1.00 0.00 N ATOM 1017 CE2 TRP A 62 11.529 1.940 5.752 1.00 0.00 C ATOM 1018 CE3 TRP A 62 12.135 0.698 3.771 1.00 0.00 C ATOM 1019 CZ2 TRP A 62 12.784 1.734 6.319 1.00 0.00 C ATOM 1020 CZ3 TRP A 62 13.380 0.495 4.335 1.00 0.00 C ATOM 1021 CH2 TRP A 62 13.695 1.011 5.599 1.00 0.00 C ATOM 0 H TRP A 62 8.243 1.272 0.665 1.00 0.00 H new ATOM 0 HA TRP A 62 8.146 3.391 2.396 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.031 1.210 3.290 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.487 0.685 2.469 1.00 0.00 H new ATOM 0 HD1 TRP A 62 8.446 2.985 5.431 1.00 0.00 H new ATOM 0 HE1 TRP A 62 10.389 3.091 7.136 1.00 0.00 H new ATOM 0 HE3 TRP A 62 11.901 0.295 2.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 13.029 2.131 7.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.123 -0.071 3.792 1.00 0.00 H new ATOM 0 HH2 TRP A 62 14.677 0.834 6.013 1.00 0.00 H new ATOM 1032 N ARG A 63 11.170 2.966 1.173 1.00 0.00 N ATOM 1033 CA ARG A 63 12.478 3.594 1.033 1.00 0.00 C ATOM 1034 C ARG A 63 12.346 5.007 0.473 1.00 0.00 C ATOM 1035 O ARG A 63 12.958 5.947 0.980 1.00 0.00 O ATOM 1036 CB ARG A 63 13.376 2.755 0.122 1.00 0.00 C ATOM 1037 CG ARG A 63 14.133 1.659 0.855 1.00 0.00 C ATOM 1038 CD ARG A 63 15.459 1.350 0.178 1.00 0.00 C ATOM 1039 NE ARG A 63 16.433 0.790 1.111 1.00 0.00 N ATOM 1040 CZ ARG A 63 17.630 0.346 0.746 1.00 0.00 C ATOM 1041 NH1 ARG A 63 18.000 0.397 -0.526 1.00 0.00 N ATOM 1042 NH2 ARG A 63 18.460 -0.150 1.654 1.00 0.00 N ATOM 0 H ARG A 63 11.042 2.128 0.606 1.00 0.00 H new ATOM 0 HA ARG A 63 12.931 3.655 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 63 12.765 2.303 -0.660 1.00 0.00 H new ATOM 0 HB3 ARG A 63 14.092 3.411 -0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 63 14.312 1.966 1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.523 0.756 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 63 15.294 0.647 -0.639 1.00 0.00 H new ATOM 0 HD3 ARG A 63 15.862 2.262 -0.263 1.00 0.00 H new ATOM 0 HE ARG A 63 16.180 0.737 2.098 1.00 0.00 H new ATOM 0 HH11 ARG A 63 17.365 0.778 -1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 63 18.920 0.055 -0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 63 18.179 -0.191 2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 63 19.379 -0.491 1.373 1.00 0.00 H new ATOM 1056 N ARG A 64 11.542 5.149 -0.576 1.00 0.00 N ATOM 1057 CA ARG A 64 11.330 6.447 -1.206 1.00 0.00 C ATOM 1058 C ARG A 64 10.887 7.484 -0.179 1.00 0.00 C ATOM 1059 O ARG A 64 11.445 8.579 -0.107 1.00 0.00 O ATOM 1060 CB ARG A 64 10.285 6.333 -2.317 1.00 0.00 C ATOM 1061 CG ARG A 64 10.425 7.394 -3.397 1.00 0.00 C ATOM 1062 CD ARG A 64 9.684 7.000 -4.664 1.00 0.00 C ATOM 1063 NE ARG A 64 8.297 7.458 -4.652 1.00 0.00 N ATOM 1064 CZ ARG A 64 7.943 8.732 -4.780 1.00 0.00 C ATOM 1065 NH1 ARG A 64 8.868 9.669 -4.930 1.00 0.00 N ATOM 1066 NH2 ARG A 64 6.660 9.071 -4.759 1.00 0.00 N ATOM 0 H ARG A 64 11.027 4.382 -1.007 1.00 0.00 H new ATOM 0 HA ARG A 64 12.276 6.772 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 64 10.361 5.347 -2.776 1.00 0.00 H new ATOM 0 HB3 ARG A 64 9.290 6.404 -1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 64 10.038 8.344 -3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 64 11.480 7.547 -3.624 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.197 7.420 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 64 9.707 5.916 -4.775 1.00 0.00 H new ATOM 0 HE ARG A 64 7.560 6.762 -4.539 1.00 0.00 H new ATOM 0 HH11 ARG A 64 9.855 9.413 -4.947 1.00 0.00 H new ATOM 0 HH12 ARG A 64 8.593 10.646 -5.028 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.945 8.353 -4.644 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.389 10.050 -4.857 1.00 0.00 H new ATOM 1080 N SER A 65 9.879 7.132 0.613 1.00 0.00 N ATOM 1081 CA SER A 65 9.357 8.034 1.633 1.00 0.00 C ATOM 1082 C SER A 65 10.304 8.111 2.826 1.00 0.00 C ATOM 1083 O SER A 65 10.353 9.119 3.530 1.00 0.00 O ATOM 1084 CB SER A 65 7.974 7.570 2.095 1.00 0.00 C ATOM 1085 OG SER A 65 7.256 8.631 2.700 1.00 0.00 O ATOM 0 H SER A 65 9.408 6.229 0.568 1.00 0.00 H new ATOM 0 HA SER A 65 9.271 9.028 1.194 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.413 7.186 1.243 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.080 6.748 2.803 1.00 0.00 H new ATOM 0 HG SER A 65 6.375 8.309 2.985 1.00 0.00 H new ATOM 1091 N GLY A 66 11.057 7.037 3.046 1.00 0.00 N ATOM 1092 CA GLY A 66 11.994 7.003 4.154 1.00 0.00 C ATOM 1093 C GLY A 66 11.491 7.768 5.362 1.00 0.00 C ATOM 1094 O GLY A 66 10.722 7.253 6.175 1.00 0.00 O ATOM 0 H GLY A 66 11.035 6.191 2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.181 5.967 4.436 1.00 0.00 H new ATOM 0 HA3 GLY A 66 12.947 7.423 3.833 1.00 0.00 H new ATOM 1098 N PRO A 67 11.931 9.028 5.494 1.00 0.00 N ATOM 1099 CA PRO A 67 11.534 9.893 6.610 1.00 0.00 C ATOM 1100 C PRO A 67 10.069 10.308 6.529 1.00 0.00 C ATOM 1101 O PRO A 67 9.714 11.224 5.787 1.00 0.00 O ATOM 1102 CB PRO A 67 12.445 11.113 6.455 1.00 0.00 C ATOM 1103 CG PRO A 67 12.795 11.143 5.007 1.00 0.00 C ATOM 1104 CD PRO A 67 12.849 9.707 4.564 1.00 0.00 C ATOM 0 HA PRO A 67 11.634 9.389 7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 67 11.936 12.028 6.758 1.00 0.00 H new ATOM 0 HB3 PRO A 67 13.336 11.023 7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 67 12.051 11.699 4.437 1.00 0.00 H new ATOM 0 HG3 PRO A 67 13.753 11.637 4.847 1.00 0.00 H new ATOM 0 HD2 PRO A 67 12.528 9.594 3.528 1.00 0.00 H new ATOM 0 HD3 PRO A 67 13.859 9.304 4.631 1.00 0.00 H new ATOM 1112 N SER A 68 9.223 9.630 7.297 1.00 0.00 N ATOM 1113 CA SER A 68 7.795 9.927 7.309 1.00 0.00 C ATOM 1114 C SER A 68 7.527 11.278 7.965 1.00 0.00 C ATOM 1115 O SER A 68 6.923 12.165 7.362 1.00 0.00 O ATOM 1116 CB SER A 68 7.030 8.828 8.048 1.00 0.00 C ATOM 1117 OG SER A 68 7.503 8.682 9.376 1.00 0.00 O ATOM 0 H SER A 68 9.501 8.871 7.919 1.00 0.00 H new ATOM 0 HA SER A 68 7.449 9.969 6.276 1.00 0.00 H new ATOM 0 HB2 SER A 68 5.967 9.067 8.062 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.138 7.884 7.514 1.00 0.00 H new ATOM 0 HG SER A 68 6.997 7.975 9.828 1.00 0.00 H new ATOM 1123 N SER A 69 7.981 11.427 9.205 1.00 0.00 N ATOM 1124 CA SER A 69 7.788 12.668 9.946 1.00 0.00 C ATOM 1125 C SER A 69 8.419 13.845 9.209 1.00 0.00 C ATOM 1126 O SER A 69 9.636 13.905 9.039 1.00 0.00 O ATOM 1127 CB SER A 69 8.388 12.548 11.349 1.00 0.00 C ATOM 1128 OG SER A 69 7.655 11.630 12.140 1.00 0.00 O ATOM 0 H SER A 69 8.485 10.704 9.718 1.00 0.00 H new ATOM 0 HA SER A 69 6.716 12.848 10.031 1.00 0.00 H new ATOM 0 HB2 SER A 69 9.426 12.223 11.277 1.00 0.00 H new ATOM 0 HB3 SER A 69 8.392 13.526 11.831 1.00 0.00 H new ATOM 0 HG SER A 69 8.059 11.570 13.031 1.00 0.00 H new ATOM 1134 N GLY A 70 7.581 14.781 8.773 1.00 0.00 N ATOM 1135 CA GLY A 70 8.075 15.944 8.059 1.00 0.00 C ATOM 1136 C GLY A 70 7.469 17.237 8.568 1.00 0.00 C ATOM 1137 O GLY A 70 7.821 17.712 9.647 1.00 0.00 O ATOM 0 H GLY A 70 6.569 14.755 8.901 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.160 15.992 8.155 1.00 0.00 H new ATOM 0 HA3 GLY A 70 7.854 15.836 6.997 1.00 0.00 H new TER 1141 GLY A 70