USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 457 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 12 SER OG : rot -166:sc= 0.518 USER MOD Set 1.2: A 15 GLN : amide:sc= -0.384 K(o=0.13,f=-0.48) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -27:sc= 0.217 USER MOD Single : A 23 SER OG : rot 107:sc= 0.218 USER MOD Single : A 25 THR OG1 : rot -70:sc= 1 USER MOD Single : A 26 LYS NZ :NH3+ -159:sc= 0.334 (180deg=0.132) USER MOD Single : A 27 CYS SG : rot 80:sc= 0.398 USER MOD Single : A 30 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.06) USER MOD Single : A 32 SER OG : rot 71:sc= 0.222 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 100:sc= -0.0307 USER MOD Single : A 37 GLN : amide:sc= -1.34 X(o=-1.3,f=-1) USER MOD Single : A 39 ASN : amide:sc= 0.164 K(o=0.16,f=-0.42) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.285 K(o=-0.29,f=-8.2!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0.0034) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 1.16 K(o=1.2,f=-0.0016) USER MOD Single : A 50 TYR OH : rot 80:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 1.94 (180deg=1.82) USER MOD Single : A 57 THR OG1 : rot -53:sc= 0.121 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0242 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 14.801 2.950 -2.647 1.00 0.00 N ATOM 2 CA ILE A 6 14.783 3.658 -3.923 1.00 0.00 C ATOM 3 C ILE A 6 15.860 3.127 -4.874 1.00 0.00 C ATOM 4 O ILE A 6 16.585 3.891 -5.511 1.00 0.00 O ATOM 5 CB ILE A 6 14.852 5.176 -3.699 1.00 0.00 C ATOM 6 CG1 ILE A 6 13.867 5.644 -2.618 1.00 0.00 C ATOM 7 CG2 ILE A 6 14.549 5.914 -5.008 1.00 0.00 C ATOM 8 CD1 ILE A 6 12.409 5.315 -2.948 1.00 0.00 C ATOM 0 HA ILE A 6 13.834 3.463 -4.422 1.00 0.00 H new ATOM 0 HB ILE A 6 15.862 5.407 -3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 6 14.132 5.179 -1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 6 13.969 6.721 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 6 14.600 6.990 -4.839 1.00 0.00 H new ATOM 0 HG22 ILE A 6 15.281 5.630 -5.764 1.00 0.00 H new ATOM 0 HG23 ILE A 6 13.550 5.648 -5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 6 11.765 5.672 -2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 6 12.128 5.802 -3.882 1.00 0.00 H new ATOM 0 HD13 ILE A 6 12.294 4.236 -3.053 1.00 0.00 H new ATOM 19 N LYS A 7 15.974 1.801 -4.975 1.00 0.00 N ATOM 20 CA LYS A 7 16.931 1.169 -5.863 1.00 0.00 C ATOM 21 C LYS A 7 16.254 0.799 -7.172 1.00 0.00 C ATOM 22 O LYS A 7 15.378 -0.061 -7.215 1.00 0.00 O ATOM 23 CB LYS A 7 17.527 -0.041 -5.150 1.00 0.00 C ATOM 24 CG LYS A 7 18.406 0.430 -3.993 1.00 0.00 C ATOM 25 CD LYS A 7 19.711 1.069 -4.477 1.00 0.00 C ATOM 26 CE LYS A 7 20.393 1.759 -3.298 1.00 0.00 C ATOM 27 NZ LYS A 7 21.685 2.347 -3.702 1.00 0.00 N ATOM 0 H LYS A 7 15.404 1.144 -4.442 1.00 0.00 H new ATOM 0 HA LYS A 7 17.743 1.852 -6.111 1.00 0.00 H new ATOM 0 HB2 LYS A 7 16.731 -0.685 -4.777 1.00 0.00 H new ATOM 0 HB3 LYS A 7 18.116 -0.635 -5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 7 17.853 1.150 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 7 18.637 -0.417 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.368 0.309 -4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.506 1.790 -5.268 1.00 0.00 H new ATOM 0 HE2 LYS A 7 19.742 2.539 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 7 20.552 1.040 -2.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.127 2.810 -2.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.312 1.597 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.527 3.050 -4.452 1.00 0.00 H new ATOM 41 N ARG A 8 16.682 1.470 -8.244 1.00 0.00 N ATOM 42 CA ARG A 8 16.128 1.343 -9.577 1.00 0.00 C ATOM 43 C ARG A 8 16.670 0.134 -10.323 1.00 0.00 C ATOM 44 O ARG A 8 16.703 0.107 -11.552 1.00 0.00 O ATOM 45 CB ARG A 8 16.363 2.675 -10.292 1.00 0.00 C ATOM 46 CG ARG A 8 15.468 3.782 -9.725 1.00 0.00 C ATOM 47 CD ARG A 8 14.000 3.542 -10.089 1.00 0.00 C ATOM 48 NE ARG A 8 13.116 4.470 -9.373 1.00 0.00 N ATOM 49 CZ ARG A 8 12.195 4.089 -8.482 1.00 0.00 C ATOM 50 NH1 ARG A 8 12.028 2.804 -8.176 1.00 0.00 N ATOM 51 NH2 ARG A 8 11.426 4.994 -7.887 1.00 0.00 N ATOM 0 H ARG A 8 17.451 2.138 -8.197 1.00 0.00 H new ATOM 0 HA ARG A 8 15.057 1.147 -9.531 1.00 0.00 H new ATOM 0 HB2 ARG A 8 17.409 2.964 -10.191 1.00 0.00 H new ATOM 0 HB3 ARG A 8 16.167 2.557 -11.358 1.00 0.00 H new ATOM 0 HG2 ARG A 8 15.576 3.822 -8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 8 15.789 4.749 -10.113 1.00 0.00 H new ATOM 0 HD2 ARG A 8 13.865 3.663 -11.164 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.726 2.515 -9.847 1.00 0.00 H new ATOM 0 HE ARG A 8 13.210 5.467 -9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 8 12.607 2.094 -8.624 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.321 2.530 -7.494 1.00 0.00 H new ATOM 0 HH21 ARG A 8 11.537 5.983 -8.109 1.00 0.00 H new ATOM 0 HH22 ARG A 8 10.724 4.700 -7.208 1.00 0.00 H new ATOM 65 N LYS A 9 17.096 -0.865 -9.549 1.00 0.00 N ATOM 66 CA LYS A 9 17.712 -2.090 -10.041 1.00 0.00 C ATOM 67 C LYS A 9 17.345 -3.269 -9.145 1.00 0.00 C ATOM 68 O LYS A 9 17.935 -4.344 -9.238 1.00 0.00 O ATOM 69 CB LYS A 9 19.229 -1.890 -10.096 1.00 0.00 C ATOM 70 CG LYS A 9 19.569 -0.629 -10.894 1.00 0.00 C ATOM 71 CD LYS A 9 21.082 -0.414 -10.902 1.00 0.00 C ATOM 72 CE LYS A 9 21.414 0.838 -11.714 1.00 0.00 C ATOM 73 NZ LYS A 9 22.869 1.077 -11.756 1.00 0.00 N ATOM 0 H LYS A 9 17.018 -0.840 -8.532 1.00 0.00 H new ATOM 0 HA LYS A 9 17.343 -2.314 -11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 9 19.629 -1.808 -9.085 1.00 0.00 H new ATOM 0 HB3 LYS A 9 19.701 -2.758 -10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 9 19.200 -0.724 -11.915 1.00 0.00 H new ATOM 0 HG3 LYS A 9 19.072 0.236 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 9 21.450 -0.307 -9.882 1.00 0.00 H new ATOM 0 HD3 LYS A 9 21.581 -1.282 -11.332 1.00 0.00 H new ATOM 0 HE2 LYS A 9 21.032 0.728 -12.729 1.00 0.00 H new ATOM 0 HE3 LYS A 9 20.914 1.702 -11.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 23.064 1.933 -12.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 23.228 1.205 -10.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 23.342 0.262 -12.196 1.00 0.00 H new ATOM 87 N ASP A 10 16.358 -3.048 -8.272 1.00 0.00 N ATOM 88 CA ASP A 10 15.937 -4.009 -7.258 1.00 0.00 C ATOM 89 C ASP A 10 14.497 -3.786 -6.791 1.00 0.00 C ATOM 90 O ASP A 10 13.873 -4.707 -6.268 1.00 0.00 O ATOM 91 CB ASP A 10 16.864 -3.840 -6.056 1.00 0.00 C ATOM 92 CG ASP A 10 16.674 -4.960 -5.034 1.00 0.00 C ATOM 93 OD1 ASP A 10 16.952 -6.125 -5.397 1.00 0.00 O ATOM 94 OD2 ASP A 10 16.253 -4.641 -3.901 1.00 0.00 O ATOM 0 H ASP A 10 15.822 -2.180 -8.253 1.00 0.00 H new ATOM 0 HA ASP A 10 15.987 -5.008 -7.692 1.00 0.00 H new ATOM 0 HB2 ASP A 10 17.900 -3.828 -6.394 1.00 0.00 H new ATOM 0 HB3 ASP A 10 16.673 -2.878 -5.581 1.00 0.00 H new ATOM 99 N ALA A 11 13.973 -2.570 -6.981 1.00 0.00 N ATOM 100 CA ALA A 11 12.636 -2.176 -6.562 1.00 0.00 C ATOM 101 C ALA A 11 12.431 -2.330 -5.058 1.00 0.00 C ATOM 102 O ALA A 11 11.307 -2.552 -4.627 1.00 0.00 O ATOM 103 CB ALA A 11 11.567 -2.906 -7.377 1.00 0.00 C ATOM 0 H ALA A 11 14.485 -1.818 -7.443 1.00 0.00 H new ATOM 0 HA ALA A 11 12.529 -1.111 -6.769 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.578 -2.593 -7.043 1.00 0.00 H new ATOM 0 HB2 ALA A 11 11.687 -2.665 -8.433 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.674 -3.982 -7.236 1.00 0.00 H new ATOM 109 N SER A 12 13.531 -2.205 -4.307 1.00 0.00 N ATOM 110 CA SER A 12 13.702 -2.349 -2.858 1.00 0.00 C ATOM 111 C SER A 12 12.839 -3.430 -2.170 1.00 0.00 C ATOM 112 O SER A 12 11.962 -4.035 -2.776 1.00 0.00 O ATOM 113 CB SER A 12 13.614 -0.969 -2.196 1.00 0.00 C ATOM 114 OG SER A 12 12.732 -0.926 -1.105 1.00 0.00 O ATOM 0 H SER A 12 14.421 -1.975 -4.750 1.00 0.00 H new ATOM 0 HA SER A 12 14.702 -2.756 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 12 14.608 -0.671 -1.861 1.00 0.00 H new ATOM 0 HB3 SER A 12 13.296 -0.238 -2.939 1.00 0.00 H new ATOM 0 HG SER A 12 12.548 0.007 -0.870 1.00 0.00 H new ATOM 120 N PRO A 13 13.074 -3.696 -0.879 1.00 0.00 N ATOM 121 CA PRO A 13 12.231 -4.574 -0.076 1.00 0.00 C ATOM 122 C PRO A 13 10.925 -3.886 0.270 1.00 0.00 C ATOM 123 O PRO A 13 9.889 -4.513 0.489 1.00 0.00 O ATOM 124 CB PRO A 13 13.000 -4.755 1.237 1.00 0.00 C ATOM 125 CG PRO A 13 14.420 -4.272 0.946 1.00 0.00 C ATOM 126 CD PRO A 13 14.170 -3.177 -0.085 1.00 0.00 C ATOM 0 HA PRO A 13 12.015 -5.502 -0.605 1.00 0.00 H new ATOM 0 HB2 PRO A 13 12.545 -4.177 2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.997 -5.798 1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.913 -3.888 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.051 -5.069 0.552 1.00 0.00 H new ATOM 0 HD2 PRO A 13 13.908 -2.232 0.390 1.00 0.00 H new ATOM 0 HD3 PRO A 13 15.054 -2.992 -0.695 1.00 0.00 H new ATOM 134 N GLU A 14 11.019 -2.566 0.314 1.00 0.00 N ATOM 135 CA GLU A 14 9.937 -1.668 0.620 1.00 0.00 C ATOM 136 C GLU A 14 9.208 -1.296 -0.645 1.00 0.00 C ATOM 137 O GLU A 14 7.987 -1.319 -0.691 1.00 0.00 O ATOM 138 CB GLU A 14 10.550 -0.400 1.196 1.00 0.00 C ATOM 139 CG GLU A 14 11.314 -0.729 2.471 1.00 0.00 C ATOM 140 CD GLU A 14 11.800 0.537 3.175 1.00 0.00 C ATOM 141 OE1 GLU A 14 12.753 1.161 2.656 1.00 0.00 O ATOM 142 OE2 GLU A 14 11.219 0.876 4.230 1.00 0.00 O ATOM 0 H GLU A 14 11.895 -2.078 0.128 1.00 0.00 H new ATOM 0 HA GLU A 14 9.244 -2.140 1.316 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.220 0.054 0.467 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.768 0.329 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.673 -1.298 3.144 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.167 -1.364 2.232 1.00 0.00 H new ATOM 149 N GLN A 15 9.987 -0.953 -1.668 1.00 0.00 N ATOM 150 CA GLN A 15 9.517 -0.404 -2.923 1.00 0.00 C ATOM 151 C GLN A 15 8.784 -1.472 -3.723 1.00 0.00 C ATOM 152 O GLN A 15 8.090 -1.152 -4.686 1.00 0.00 O ATOM 153 CB GLN A 15 10.763 0.086 -3.667 1.00 0.00 C ATOM 154 CG GLN A 15 11.129 1.542 -3.374 1.00 0.00 C ATOM 155 CD GLN A 15 11.295 1.802 -1.896 1.00 0.00 C ATOM 156 OE1 GLN A 15 12.400 1.797 -1.364 1.00 0.00 O ATOM 157 NE2 GLN A 15 10.173 2.028 -1.228 1.00 0.00 N ATOM 0 H GLN A 15 11.001 -1.057 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 15 8.812 0.413 -2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 15 11.607 -0.551 -3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.603 -0.029 -4.739 1.00 0.00 H new ATOM 0 HG2 GLN A 15 12.055 1.793 -3.892 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.354 2.197 -3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 15 9.278 2.021 -1.717 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.204 2.209 -0.225 1.00 0.00 H new ATOM 166 N GLU A 16 8.926 -2.740 -3.333 1.00 0.00 N ATOM 167 CA GLU A 16 8.241 -3.809 -4.037 1.00 0.00 C ATOM 168 C GLU A 16 6.804 -3.891 -3.544 1.00 0.00 C ATOM 169 O GLU A 16 5.972 -4.563 -4.153 1.00 0.00 O ATOM 170 CB GLU A 16 8.986 -5.140 -3.876 1.00 0.00 C ATOM 171 CG GLU A 16 9.047 -5.558 -2.412 1.00 0.00 C ATOM 172 CD GLU A 16 9.530 -7.000 -2.270 1.00 0.00 C ATOM 173 OE1 GLU A 16 10.763 -7.212 -2.321 1.00 0.00 O ATOM 174 OE2 GLU A 16 8.664 -7.890 -2.112 1.00 0.00 O ATOM 0 H GLU A 16 9.501 -3.042 -2.546 1.00 0.00 H new ATOM 0 HA GLU A 16 8.226 -3.592 -5.105 1.00 0.00 H new ATOM 0 HB2 GLU A 16 8.486 -5.914 -4.458 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.997 -5.046 -4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.717 -4.892 -1.868 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.060 -5.456 -1.960 1.00 0.00 H new ATOM 181 N ALA A 17 6.522 -3.196 -2.438 1.00 0.00 N ATOM 182 CA ALA A 17 5.164 -3.009 -1.984 1.00 0.00 C ATOM 183 C ALA A 17 4.760 -1.547 -2.116 1.00 0.00 C ATOM 184 O ALA A 17 3.714 -1.258 -2.685 1.00 0.00 O ATOM 185 CB ALA A 17 5.017 -3.537 -0.560 1.00 0.00 C ATOM 0 H ALA A 17 7.228 -2.757 -1.847 1.00 0.00 H new ATOM 0 HA ALA A 17 4.481 -3.581 -2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 17 3.990 -3.393 -0.223 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.260 -4.599 -0.539 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.695 -2.996 0.100 1.00 0.00 H new ATOM 191 N ILE A 18 5.574 -0.619 -1.604 1.00 0.00 N ATOM 192 CA ILE A 18 5.278 0.802 -1.642 1.00 0.00 C ATOM 193 C ILE A 18 5.033 1.308 -3.043 1.00 0.00 C ATOM 194 O ILE A 18 4.012 1.945 -3.273 1.00 0.00 O ATOM 195 CB ILE A 18 6.418 1.601 -0.995 1.00 0.00 C ATOM 196 CG1 ILE A 18 6.105 1.649 0.492 1.00 0.00 C ATOM 197 CG2 ILE A 18 6.509 3.040 -1.519 1.00 0.00 C ATOM 198 CD1 ILE A 18 7.289 2.184 1.290 1.00 0.00 C ATOM 0 H ILE A 18 6.460 -0.842 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 18 4.357 0.946 -1.078 1.00 0.00 H new ATOM 0 HB ILE A 18 7.369 1.121 -1.225 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.234 2.281 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 18 5.848 0.650 0.844 1.00 0.00 H new ATOM 0 HG21 ILE A 18 7.333 3.556 -1.025 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.683 3.025 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.576 3.563 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.034 2.206 2.349 1.00 0.00 H new ATOM 0 HD12 ILE A 18 8.152 1.536 1.138 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.529 3.193 0.954 1.00 0.00 H new ATOM 210 N GLU A 19 5.933 1.046 -3.987 1.00 0.00 N ATOM 211 CA GLU A 19 5.767 1.658 -5.290 1.00 0.00 C ATOM 212 C GLU A 19 4.652 0.974 -6.070 1.00 0.00 C ATOM 213 O GLU A 19 4.113 1.545 -7.015 1.00 0.00 O ATOM 214 CB GLU A 19 7.083 1.647 -6.044 1.00 0.00 C ATOM 215 CG GLU A 19 8.168 2.247 -5.158 1.00 0.00 C ATOM 216 CD GLU A 19 9.360 2.704 -5.993 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.070 1.824 -6.528 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.558 3.934 -6.094 1.00 0.00 O ATOM 0 H GLU A 19 6.748 0.442 -3.879 1.00 0.00 H new ATOM 0 HA GLU A 19 5.471 2.699 -5.160 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.347 0.628 -6.325 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.992 2.219 -6.968 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.763 3.092 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.494 1.509 -4.425 1.00 0.00 H new ATOM 225 N SER A 20 4.304 -0.250 -5.671 1.00 0.00 N ATOM 226 CA SER A 20 3.240 -0.991 -6.328 1.00 0.00 C ATOM 227 C SER A 20 1.910 -0.518 -5.765 1.00 0.00 C ATOM 228 O SER A 20 0.892 -0.486 -6.454 1.00 0.00 O ATOM 229 CB SER A 20 3.427 -2.485 -6.055 1.00 0.00 C ATOM 230 OG SER A 20 2.598 -3.238 -6.918 1.00 0.00 O ATOM 0 H SER A 20 4.746 -0.744 -4.896 1.00 0.00 H new ATOM 0 HA SER A 20 3.263 -0.824 -7.405 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.470 -2.763 -6.204 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.183 -2.707 -5.016 1.00 0.00 H new ATOM 0 HG SER A 20 2.723 -4.194 -6.740 1.00 0.00 H new ATOM 236 N PHE A 21 1.945 -0.144 -4.488 1.00 0.00 N ATOM 237 CA PHE A 21 0.786 0.255 -3.733 1.00 0.00 C ATOM 238 C PHE A 21 0.455 1.702 -4.029 1.00 0.00 C ATOM 239 O PHE A 21 -0.648 2.037 -4.449 1.00 0.00 O ATOM 240 CB PHE A 21 1.148 0.093 -2.269 1.00 0.00 C ATOM 241 CG PHE A 21 0.007 0.316 -1.320 1.00 0.00 C ATOM 242 CD1 PHE A 21 -0.365 1.617 -0.961 1.00 0.00 C ATOM 243 CD2 PHE A 21 -0.671 -0.788 -0.803 1.00 0.00 C ATOM 244 CE1 PHE A 21 -1.422 1.812 -0.061 1.00 0.00 C ATOM 245 CE2 PHE A 21 -1.722 -0.595 0.102 1.00 0.00 C ATOM 246 CZ PHE A 21 -2.097 0.705 0.474 1.00 0.00 C ATOM 0 H PHE A 21 2.809 -0.113 -3.946 1.00 0.00 H new ATOM 0 HA PHE A 21 -0.084 -0.348 -3.992 1.00 0.00 H new ATOM 0 HB2 PHE A 21 1.543 -0.911 -2.114 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.949 0.791 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 21 0.159 2.466 -1.375 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.387 -1.787 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -1.716 2.813 0.220 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -2.244 -1.446 0.514 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.907 0.853 1.173 1.00 0.00 H new ATOM 256 N THR A 22 1.440 2.568 -3.806 1.00 0.00 N ATOM 257 CA THR A 22 1.325 3.992 -4.042 1.00 0.00 C ATOM 258 C THR A 22 0.969 4.316 -5.496 1.00 0.00 C ATOM 259 O THR A 22 0.336 5.339 -5.747 1.00 0.00 O ATOM 260 CB THR A 22 2.660 4.594 -3.620 1.00 0.00 C ATOM 261 OG1 THR A 22 2.495 5.957 -3.307 1.00 0.00 O ATOM 262 CG2 THR A 22 3.703 4.448 -4.721 1.00 0.00 C ATOM 0 H THR A 22 2.354 2.288 -3.450 1.00 0.00 H new ATOM 0 HA THR A 22 0.505 4.419 -3.464 1.00 0.00 H new ATOM 0 HB THR A 22 3.009 4.054 -2.740 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.740 6.320 -3.815 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.645 4.887 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.853 3.391 -4.942 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.359 4.961 -5.619 1.00 0.00 H new ATOM 270 N SER A 23 1.357 3.469 -6.462 1.00 0.00 N ATOM 271 CA SER A 23 0.975 3.660 -7.847 1.00 0.00 C ATOM 272 C SER A 23 -0.416 3.107 -8.127 1.00 0.00 C ATOM 273 O SER A 23 -1.084 3.579 -9.043 1.00 0.00 O ATOM 274 CB SER A 23 1.999 2.933 -8.704 1.00 0.00 C ATOM 275 OG SER A 23 3.184 3.698 -8.795 1.00 0.00 O ATOM 0 H SER A 23 1.937 2.646 -6.296 1.00 0.00 H new ATOM 0 HA SER A 23 0.949 4.726 -8.075 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.219 1.957 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.593 2.757 -9.700 1.00 0.00 H new ATOM 0 HG SER A 23 3.883 3.285 -8.245 1.00 0.00 H new ATOM 281 N LEU A 24 -0.862 2.114 -7.354 1.00 0.00 N ATOM 282 CA LEU A 24 -2.192 1.535 -7.491 1.00 0.00 C ATOM 283 C LEU A 24 -3.234 2.314 -6.684 1.00 0.00 C ATOM 284 O LEU A 24 -4.430 2.194 -6.945 1.00 0.00 O ATOM 285 CB LEU A 24 -2.103 0.078 -7.030 1.00 0.00 C ATOM 286 CG LEU A 24 -3.403 -0.716 -7.174 1.00 0.00 C ATOM 287 CD1 LEU A 24 -3.900 -0.726 -8.621 1.00 0.00 C ATOM 288 CD2 LEU A 24 -3.119 -2.149 -6.732 1.00 0.00 C ATOM 0 H LEU A 24 -0.304 1.690 -6.613 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.519 1.586 -8.530 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.321 -0.423 -7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.795 0.060 -5.985 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.177 -0.252 -6.562 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.825 -1.299 -8.684 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.084 0.297 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.146 -1.183 -9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.028 -2.744 -6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.340 -2.577 -7.363 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.786 -2.150 -5.694 1.00 0.00 H new ATOM 300 N THR A 25 -2.786 3.111 -5.712 1.00 0.00 N ATOM 301 CA THR A 25 -3.665 3.907 -4.866 1.00 0.00 C ATOM 302 C THR A 25 -3.508 5.388 -5.151 1.00 0.00 C ATOM 303 O THR A 25 -4.230 6.206 -4.586 1.00 0.00 O ATOM 304 CB THR A 25 -3.394 3.619 -3.389 1.00 0.00 C ATOM 305 OG1 THR A 25 -2.078 4.011 -3.065 1.00 0.00 O ATOM 306 CG2 THR A 25 -3.546 2.136 -3.088 1.00 0.00 C ATOM 0 H THR A 25 -1.796 3.220 -5.492 1.00 0.00 H new ATOM 0 HA THR A 25 -4.693 3.626 -5.095 1.00 0.00 H new ATOM 0 HB THR A 25 -4.116 4.180 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.440 3.407 -3.500 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.348 1.957 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.561 1.819 -3.326 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.838 1.568 -3.691 1.00 0.00 H new ATOM 314 N LYS A 26 -2.562 5.723 -6.034 1.00 0.00 N ATOM 315 CA LYS A 26 -2.442 7.062 -6.582 1.00 0.00 C ATOM 316 C LYS A 26 -2.120 8.089 -5.496 1.00 0.00 C ATOM 317 O LYS A 26 -2.172 9.294 -5.749 1.00 0.00 O ATOM 318 CB LYS A 26 -3.736 7.373 -7.354 1.00 0.00 C ATOM 319 CG LYS A 26 -4.253 6.149 -8.132 1.00 0.00 C ATOM 320 CD LYS A 26 -3.393 5.855 -9.363 1.00 0.00 C ATOM 321 CE LYS A 26 -3.729 4.460 -9.899 1.00 0.00 C ATOM 322 NZ LYS A 26 -2.974 4.165 -11.130 1.00 0.00 N ATOM 0 H LYS A 26 -1.862 5.068 -6.384 1.00 0.00 H new ATOM 0 HA LYS A 26 -1.601 7.119 -7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.503 7.709 -6.656 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.555 8.194 -8.048 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.260 5.278 -7.477 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.283 6.323 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.573 6.605 -10.133 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.336 5.912 -9.103 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.500 3.711 -9.141 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.798 4.393 -10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.454 3.409 -11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.922 5.021 -11.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.012 3.857 -10.882 1.00 0.00 H new ATOM 336 N CYS A 27 -1.789 7.612 -4.290 1.00 0.00 N ATOM 337 CA CYS A 27 -1.451 8.447 -3.153 1.00 0.00 C ATOM 338 C CYS A 27 0.067 8.626 -3.049 1.00 0.00 C ATOM 339 O CYS A 27 0.802 8.236 -3.957 1.00 0.00 O ATOM 340 CB CYS A 27 -2.051 7.804 -1.901 1.00 0.00 C ATOM 341 SG CYS A 27 -2.186 9.036 -0.580 1.00 0.00 S ATOM 0 H CYS A 27 -1.751 6.614 -4.083 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.867 9.448 -3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.034 7.393 -2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.426 6.973 -1.573 1.00 0.00 H new ATOM 0 HG CYS A 27 -3.242 9.769 -0.776 1.00 0.00 H new ATOM 347 N ASP A 28 0.542 9.210 -1.948 1.00 0.00 N ATOM 348 CA ASP A 28 1.958 9.458 -1.727 1.00 0.00 C ATOM 349 C ASP A 28 2.635 8.213 -1.138 1.00 0.00 C ATOM 350 O ASP A 28 2.013 7.499 -0.350 1.00 0.00 O ATOM 351 CB ASP A 28 2.097 10.680 -0.815 1.00 0.00 C ATOM 352 CG ASP A 28 3.556 11.056 -0.579 1.00 0.00 C ATOM 353 OD1 ASP A 28 4.160 10.468 0.345 1.00 0.00 O ATOM 354 OD2 ASP A 28 4.059 11.930 -1.321 1.00 0.00 O ATOM 0 H ASP A 28 -0.054 9.525 -1.182 1.00 0.00 H new ATOM 0 HA ASP A 28 2.462 9.667 -2.671 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.572 11.526 -1.260 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.617 10.475 0.142 1.00 0.00 H new ATOM 359 N PRO A 29 3.898 7.931 -1.501 1.00 0.00 N ATOM 360 CA PRO A 29 4.625 6.755 -1.045 1.00 0.00 C ATOM 361 C PRO A 29 4.711 6.625 0.477 1.00 0.00 C ATOM 362 O PRO A 29 4.876 5.518 0.990 1.00 0.00 O ATOM 363 CB PRO A 29 6.023 6.885 -1.650 1.00 0.00 C ATOM 364 CG PRO A 29 5.787 7.736 -2.898 1.00 0.00 C ATOM 365 CD PRO A 29 4.709 8.704 -2.423 1.00 0.00 C ATOM 0 HA PRO A 29 4.100 5.855 -1.364 1.00 0.00 H new ATOM 0 HB2 PRO A 29 6.717 7.366 -0.960 1.00 0.00 H new ATOM 0 HB3 PRO A 29 6.445 5.912 -1.900 1.00 0.00 H new ATOM 0 HG2 PRO A 29 6.691 8.256 -3.214 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.452 7.136 -3.744 1.00 0.00 H new ATOM 0 HD2 PRO A 29 5.146 9.573 -1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 29 4.114 9.075 -3.258 1.00 0.00 H new ATOM 373 N LYS A 30 4.601 7.739 1.207 1.00 0.00 N ATOM 374 CA LYS A 30 4.679 7.722 2.663 1.00 0.00 C ATOM 375 C LYS A 30 3.340 7.322 3.263 1.00 0.00 C ATOM 376 O LYS A 30 3.275 6.915 4.419 1.00 0.00 O ATOM 377 CB LYS A 30 5.108 9.097 3.168 1.00 0.00 C ATOM 378 CG LYS A 30 6.439 9.460 2.511 1.00 0.00 C ATOM 379 CD LYS A 30 7.078 10.694 3.143 1.00 0.00 C ATOM 380 CE LYS A 30 6.143 11.898 3.049 1.00 0.00 C ATOM 381 NZ LYS A 30 5.860 12.259 1.645 1.00 0.00 N ATOM 0 H LYS A 30 4.457 8.666 0.807 1.00 0.00 H new ATOM 0 HA LYS A 30 5.420 6.985 2.973 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.350 9.843 2.927 1.00 0.00 H new ATOM 0 HB3 LYS A 30 5.211 9.087 4.253 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.124 8.616 2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.280 9.640 1.448 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.314 10.492 4.188 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.019 10.919 2.641 1.00 0.00 H new ATOM 0 HE2 LYS A 30 5.208 11.674 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.592 12.749 3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.396 13.189 1.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 6.751 12.298 1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 5.233 11.545 1.222 1.00 0.00 H new ATOM 395 N VAL A 31 2.273 7.436 2.476 1.00 0.00 N ATOM 396 CA VAL A 31 0.956 6.974 2.902 1.00 0.00 C ATOM 397 C VAL A 31 0.867 5.472 2.664 1.00 0.00 C ATOM 398 O VAL A 31 0.238 4.764 3.445 1.00 0.00 O ATOM 399 CB VAL A 31 -0.160 7.736 2.177 1.00 0.00 C ATOM 400 CG1 VAL A 31 -1.528 7.299 2.702 1.00 0.00 C ATOM 401 CG2 VAL A 31 -0.010 9.235 2.423 1.00 0.00 C ATOM 0 H VAL A 31 2.295 7.844 1.541 1.00 0.00 H new ATOM 0 HA VAL A 31 0.822 7.173 3.965 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.085 7.519 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.311 7.848 2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.658 6.230 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.591 7.507 3.770 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.806 9.770 1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.073 9.436 3.492 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.957 9.570 2.047 1.00 0.00 H new ATOM 411 N SER A 32 1.499 4.967 1.597 1.00 0.00 N ATOM 412 CA SER A 32 1.573 3.531 1.397 1.00 0.00 C ATOM 413 C SER A 32 2.287 2.909 2.591 1.00 0.00 C ATOM 414 O SER A 32 1.786 1.970 3.206 1.00 0.00 O ATOM 415 CB SER A 32 2.344 3.220 0.115 1.00 0.00 C ATOM 416 OG SER A 32 2.559 1.835 0.061 1.00 0.00 O ATOM 0 H SER A 32 1.956 5.526 0.877 1.00 0.00 H new ATOM 0 HA SER A 32 0.568 3.119 1.307 1.00 0.00 H new ATOM 0 HB2 SER A 32 1.781 3.552 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 32 3.294 3.753 0.104 1.00 0.00 H new ATOM 0 HG SER A 32 1.710 1.379 -0.117 1.00 0.00 H new ATOM 422 N ARG A 33 3.467 3.446 2.917 1.00 0.00 N ATOM 423 CA ARG A 33 4.279 3.029 4.053 1.00 0.00 C ATOM 424 C ARG A 33 3.432 2.923 5.311 1.00 0.00 C ATOM 425 O ARG A 33 3.418 1.872 5.938 1.00 0.00 O ATOM 426 CB ARG A 33 5.384 4.084 4.182 1.00 0.00 C ATOM 427 CG ARG A 33 6.322 3.824 5.354 1.00 0.00 C ATOM 428 CD ARG A 33 7.470 4.830 5.323 1.00 0.00 C ATOM 429 NE ARG A 33 8.492 4.515 6.328 1.00 0.00 N ATOM 430 CZ ARG A 33 9.475 3.630 6.141 1.00 0.00 C ATOM 431 NH1 ARG A 33 9.591 2.985 4.984 1.00 0.00 N ATOM 432 NH2 ARG A 33 10.345 3.388 7.112 1.00 0.00 N ATOM 0 H ARG A 33 3.891 4.203 2.380 1.00 0.00 H new ATOM 0 HA ARG A 33 4.710 2.038 3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 33 5.963 4.110 3.259 1.00 0.00 H new ATOM 0 HB3 ARG A 33 4.928 5.067 4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.777 3.907 6.294 1.00 0.00 H new ATOM 0 HG3 ARG A 33 6.714 2.808 5.301 1.00 0.00 H new ATOM 0 HD2 ARG A 33 7.923 4.835 4.332 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.081 5.833 5.501 1.00 0.00 H new ATOM 0 HE ARG A 33 8.449 5.001 7.224 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.927 3.164 4.231 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.344 2.311 4.849 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.264 3.878 8.003 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.095 2.712 6.968 1.00 0.00 H new ATOM 446 N LYS A 34 2.720 3.983 5.692 1.00 0.00 N ATOM 447 CA LYS A 34 1.955 3.967 6.933 1.00 0.00 C ATOM 448 C LYS A 34 0.786 2.986 6.923 1.00 0.00 C ATOM 449 O LYS A 34 0.303 2.634 7.996 1.00 0.00 O ATOM 450 CB LYS A 34 1.442 5.376 7.225 1.00 0.00 C ATOM 451 CG LYS A 34 2.595 6.313 7.584 1.00 0.00 C ATOM 452 CD LYS A 34 2.090 7.724 7.889 1.00 0.00 C ATOM 453 CE LYS A 34 1.352 8.323 6.695 1.00 0.00 C ATOM 454 NZ LYS A 34 0.922 9.707 6.978 1.00 0.00 N ATOM 0 H LYS A 34 2.658 4.854 5.164 1.00 0.00 H new ATOM 0 HA LYS A 34 2.633 3.626 7.716 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.912 5.762 6.354 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.725 5.344 8.046 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.129 5.921 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.307 6.350 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.425 7.695 8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.932 8.363 8.156 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.001 8.312 5.819 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.483 7.710 6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.423 10.091 6.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.285 9.711 7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.755 10.294 7.183 1.00 0.00 H new ATOM 468 N TYR A 35 0.318 2.533 5.756 1.00 0.00 N ATOM 469 CA TYR A 35 -0.730 1.512 5.696 1.00 0.00 C ATOM 470 C TYR A 35 -0.104 0.132 5.558 1.00 0.00 C ATOM 471 O TYR A 35 -0.734 -0.872 5.888 1.00 0.00 O ATOM 472 CB TYR A 35 -1.655 1.771 4.508 1.00 0.00 C ATOM 473 CG TYR A 35 -2.738 2.794 4.745 1.00 0.00 C ATOM 474 CD1 TYR A 35 -2.413 4.145 4.938 1.00 0.00 C ATOM 475 CD2 TYR A 35 -4.080 2.385 4.756 1.00 0.00 C ATOM 476 CE1 TYR A 35 -3.425 5.096 5.095 1.00 0.00 C ATOM 477 CE2 TYR A 35 -5.103 3.328 4.924 1.00 0.00 C ATOM 478 CZ TYR A 35 -4.775 4.693 5.082 1.00 0.00 C ATOM 479 OH TYR A 35 -5.748 5.634 5.224 1.00 0.00 O ATOM 0 H TYR A 35 0.646 2.855 4.846 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.311 1.557 6.617 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.050 2.096 3.662 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.124 0.830 4.222 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.378 4.451 4.965 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -4.325 1.340 4.635 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.173 6.138 5.226 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.136 3.013 4.933 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.118 5.858 4.344 1.00 0.00 H new ATOM 489 N LEU A 36 1.137 0.074 5.077 1.00 0.00 N ATOM 490 CA LEU A 36 1.869 -1.172 4.976 1.00 0.00 C ATOM 491 C LEU A 36 2.308 -1.582 6.382 1.00 0.00 C ATOM 492 O LEU A 36 2.304 -2.762 6.713 1.00 0.00 O ATOM 493 CB LEU A 36 3.053 -0.974 4.022 1.00 0.00 C ATOM 494 CG LEU A 36 2.755 -1.494 2.610 1.00 0.00 C ATOM 495 CD1 LEU A 36 1.446 -0.985 2.015 1.00 0.00 C ATOM 496 CD2 LEU A 36 3.881 -1.078 1.672 1.00 0.00 C ATOM 0 H LEU A 36 1.655 0.890 4.750 1.00 0.00 H new ATOM 0 HA LEU A 36 1.253 -1.973 4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 36 3.303 0.086 3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.927 -1.489 4.420 1.00 0.00 H new ATOM 0 HG LEU A 36 2.669 -2.576 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.314 -1.401 1.016 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.614 -1.292 2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.473 0.103 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.672 -1.446 0.667 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.955 0.009 1.652 1.00 0.00 H new ATOM 0 HD23 LEU A 36 4.823 -1.499 2.024 1.00 0.00 H new ATOM 508 N GLN A 37 2.682 -0.612 7.218 1.00 0.00 N ATOM 509 CA GLN A 37 3.073 -0.878 8.594 1.00 0.00 C ATOM 510 C GLN A 37 1.895 -1.378 9.433 1.00 0.00 C ATOM 511 O GLN A 37 2.095 -1.939 10.509 1.00 0.00 O ATOM 512 CB GLN A 37 3.653 0.389 9.187 1.00 0.00 C ATOM 513 CG GLN A 37 4.930 0.691 8.409 1.00 0.00 C ATOM 514 CD GLN A 37 5.670 1.879 8.986 1.00 0.00 C ATOM 515 OE1 GLN A 37 5.521 2.231 10.152 1.00 0.00 O ATOM 516 NE2 GLN A 37 6.482 2.507 8.155 1.00 0.00 N ATOM 0 H GLN A 37 2.721 0.373 6.958 1.00 0.00 H new ATOM 0 HA GLN A 37 3.822 -1.670 8.601 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.945 1.214 9.105 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.868 0.257 10.247 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.580 -0.184 8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.683 0.888 7.366 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.578 2.183 7.193 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.013 3.316 8.475 1.00 0.00 H new ATOM 525 N ARG A 38 0.665 -1.181 8.942 1.00 0.00 N ATOM 526 CA ARG A 38 -0.547 -1.649 9.610 1.00 0.00 C ATOM 527 C ARG A 38 -0.833 -3.107 9.261 1.00 0.00 C ATOM 528 O ARG A 38 -1.711 -3.723 9.862 1.00 0.00 O ATOM 529 CB ARG A 38 -1.734 -0.780 9.185 1.00 0.00 C ATOM 530 CG ARG A 38 -1.608 0.640 9.727 1.00 0.00 C ATOM 531 CD ARG A 38 -2.709 1.554 9.177 1.00 0.00 C ATOM 532 NE ARG A 38 -4.044 0.981 9.364 1.00 0.00 N ATOM 533 CZ ARG A 38 -4.780 1.084 10.470 1.00 0.00 C ATOM 534 NH1 ARG A 38 -4.327 1.731 11.542 1.00 0.00 N ATOM 535 NH2 ARG A 38 -5.987 0.524 10.505 1.00 0.00 N ATOM 0 H ARG A 38 0.486 -0.690 8.066 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.398 -1.574 10.687 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.795 -0.751 8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -2.661 -1.227 9.544 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.661 0.621 10.816 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.632 1.046 9.462 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.658 2.523 9.674 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.536 1.731 8.115 1.00 0.00 H new ATOM 0 HE ARG A 38 -4.443 0.460 8.583 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.401 2.159 11.526 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.906 1.799 12.379 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -6.340 0.022 9.690 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -6.559 0.597 11.347 1.00 0.00 H new ATOM 549 N ASN A 39 -0.098 -3.659 8.290 1.00 0.00 N ATOM 550 CA ASN A 39 -0.378 -4.974 7.743 1.00 0.00 C ATOM 551 C ASN A 39 0.908 -5.750 7.448 1.00 0.00 C ATOM 552 O ASN A 39 0.918 -6.615 6.572 1.00 0.00 O ATOM 553 CB ASN A 39 -1.244 -4.819 6.488 1.00 0.00 C ATOM 554 CG ASN A 39 -2.579 -4.149 6.797 1.00 0.00 C ATOM 555 OD1 ASN A 39 -3.565 -4.826 7.077 1.00 0.00 O ATOM 556 ND2 ASN A 39 -2.626 -2.821 6.752 1.00 0.00 N ATOM 0 H ASN A 39 0.708 -3.199 7.866 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.924 -5.558 8.484 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.705 -4.230 5.746 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.423 -5.800 6.047 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.500 -2.334 6.953 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.788 -2.289 6.516 1.00 0.00 H new ATOM 563 N HIS A 40 1.992 -5.448 8.173 1.00 0.00 N ATOM 564 CA HIS A 40 3.284 -6.114 8.013 1.00 0.00 C ATOM 565 C HIS A 40 3.782 -6.087 6.568 1.00 0.00 C ATOM 566 O HIS A 40 4.445 -7.022 6.118 1.00 0.00 O ATOM 567 CB HIS A 40 3.212 -7.543 8.541 1.00 0.00 C ATOM 568 CG HIS A 40 2.471 -7.684 9.843 1.00 0.00 C ATOM 569 ND1 HIS A 40 2.690 -6.929 10.998 1.00 0.00 N ATOM 570 CD2 HIS A 40 1.472 -8.582 10.078 1.00 0.00 C ATOM 571 CE1 HIS A 40 1.810 -7.393 11.902 1.00 0.00 C ATOM 572 NE2 HIS A 40 1.067 -8.384 11.377 1.00 0.00 N ATOM 0 H HIS A 40 1.993 -4.726 8.894 1.00 0.00 H new ATOM 0 HA HIS A 40 4.012 -5.556 8.602 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.730 -8.171 7.792 1.00 0.00 H new ATOM 0 HB3 HIS A 40 4.226 -7.922 8.670 1.00 0.00 H new ATOM 0 HD2 HIS A 40 1.077 -9.306 9.381 1.00 0.00 H new ATOM 0 HE1 HIS A 40 1.713 -7.021 12.911 1.00 0.00 H new ATOM 0 HE2 HIS A 40 0.331 -8.899 11.859 1.00 0.00 H new ATOM 580 N TRP A 41 3.458 -5.013 5.848 1.00 0.00 N ATOM 581 CA TRP A 41 3.821 -4.815 4.454 1.00 0.00 C ATOM 582 C TRP A 41 3.249 -5.901 3.544 1.00 0.00 C ATOM 583 O TRP A 41 3.869 -6.283 2.553 1.00 0.00 O ATOM 584 CB TRP A 41 5.324 -4.596 4.307 1.00 0.00 C ATOM 585 CG TRP A 41 5.854 -3.373 4.981 1.00 0.00 C ATOM 586 CD1 TRP A 41 5.701 -3.047 6.284 1.00 0.00 C ATOM 587 CD2 TRP A 41 6.622 -2.284 4.389 1.00 0.00 C ATOM 588 NE1 TRP A 41 6.345 -1.855 6.535 1.00 0.00 N ATOM 589 CE2 TRP A 41 6.910 -1.326 5.398 1.00 0.00 C ATOM 590 CE3 TRP A 41 7.078 -1.992 3.091 1.00 0.00 C ATOM 591 CZ2 TRP A 41 7.631 -0.154 5.141 1.00 0.00 C ATOM 592 CZ3 TRP A 41 7.755 -0.799 2.816 1.00 0.00 C ATOM 593 CH2 TRP A 41 8.066 0.104 3.833 1.00 0.00 C ATOM 0 H TRP A 41 2.920 -4.237 6.234 1.00 0.00 H new ATOM 0 HA TRP A 41 3.349 -3.896 4.105 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.843 -5.467 4.707 1.00 0.00 H new ATOM 0 HB3 TRP A 41 5.566 -4.541 3.246 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.159 -3.630 7.014 1.00 0.00 H new ATOM 0 HE1 TRP A 41 6.397 -1.417 7.455 1.00 0.00 H new ATOM 0 HE3 TRP A 41 6.903 -2.700 2.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.849 0.541 5.938 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.042 -0.573 1.799 1.00 0.00 H new ATOM 0 HH2 TRP A 41 8.637 0.994 3.615 1.00 0.00 H new ATOM 604 N ASN A 42 2.058 -6.400 3.886 1.00 0.00 N ATOM 605 CA ASN A 42 1.331 -7.313 3.033 1.00 0.00 C ATOM 606 C ASN A 42 0.484 -6.449 2.119 1.00 0.00 C ATOM 607 O ASN A 42 -0.462 -5.811 2.577 1.00 0.00 O ATOM 608 CB ASN A 42 0.446 -8.226 3.875 1.00 0.00 C ATOM 609 CG ASN A 42 -0.147 -9.333 3.017 1.00 0.00 C ATOM 610 OD1 ASN A 42 -0.945 -9.066 2.124 1.00 0.00 O ATOM 611 ND2 ASN A 42 0.237 -10.576 3.277 1.00 0.00 N ATOM 0 H ASN A 42 1.582 -6.177 4.760 1.00 0.00 H new ATOM 0 HA ASN A 42 2.005 -7.951 2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 42 1.030 -8.660 4.687 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.354 -7.645 4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.133 -11.350 2.726 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.903 -10.758 4.028 1.00 0.00 H new ATOM 618 N ILE A 43 0.808 -6.409 0.831 1.00 0.00 N ATOM 619 CA ILE A 43 0.148 -5.466 -0.047 1.00 0.00 C ATOM 620 C ILE A 43 -1.321 -5.822 -0.279 1.00 0.00 C ATOM 621 O ILE A 43 -2.088 -4.978 -0.734 1.00 0.00 O ATOM 622 CB ILE A 43 0.938 -5.366 -1.356 1.00 0.00 C ATOM 623 CG1 ILE A 43 0.705 -3.988 -1.982 1.00 0.00 C ATOM 624 CG2 ILE A 43 0.524 -6.489 -2.311 1.00 0.00 C ATOM 625 CD1 ILE A 43 1.415 -3.842 -3.327 1.00 0.00 C ATOM 0 H ILE A 43 1.506 -7.005 0.386 1.00 0.00 H new ATOM 0 HA ILE A 43 0.135 -4.486 0.431 1.00 0.00 H new ATOM 0 HB ILE A 43 2.003 -5.481 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.365 -3.828 -2.118 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.059 -3.215 -1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.092 -6.407 -3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.725 -7.454 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.541 -6.406 -2.530 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.222 -2.850 -3.734 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.488 -3.975 -3.188 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.042 -4.597 -4.019 1.00 0.00 H new ATOM 637 N ASN A 44 -1.736 -7.054 0.026 1.00 0.00 N ATOM 638 CA ASN A 44 -3.103 -7.474 -0.227 1.00 0.00 C ATOM 639 C ASN A 44 -3.964 -7.047 0.954 1.00 0.00 C ATOM 640 O ASN A 44 -5.075 -6.545 0.792 1.00 0.00 O ATOM 641 CB ASN A 44 -3.145 -8.992 -0.408 1.00 0.00 C ATOM 642 CG ASN A 44 -4.579 -9.483 -0.487 1.00 0.00 C ATOM 643 OD1 ASN A 44 -5.054 -10.180 0.408 1.00 0.00 O ATOM 644 ND2 ASN A 44 -5.283 -9.124 -1.552 1.00 0.00 N ATOM 0 H ASN A 44 -1.143 -7.770 0.446 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.484 -7.011 -1.137 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -2.610 -9.270 -1.316 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.635 -9.477 0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.252 -9.427 -1.649 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.855 -8.545 -2.275 1.00 0.00 H new ATOM 651 N TYR A 45 -3.422 -7.251 2.150 1.00 0.00 N ATOM 652 CA TYR A 45 -4.069 -6.875 3.392 1.00 0.00 C ATOM 653 C TYR A 45 -4.123 -5.359 3.507 1.00 0.00 C ATOM 654 O TYR A 45 -5.117 -4.792 3.960 1.00 0.00 O ATOM 655 CB TYR A 45 -3.221 -7.417 4.538 1.00 0.00 C ATOM 656 CG TYR A 45 -3.034 -8.917 4.617 1.00 0.00 C ATOM 657 CD1 TYR A 45 -3.694 -9.788 3.733 1.00 0.00 C ATOM 658 CD2 TYR A 45 -2.172 -9.435 5.594 1.00 0.00 C ATOM 659 CE1 TYR A 45 -3.470 -11.170 3.810 1.00 0.00 C ATOM 660 CE2 TYR A 45 -1.946 -10.816 5.681 1.00 0.00 C ATOM 661 CZ TYR A 45 -2.598 -11.691 4.787 1.00 0.00 C ATOM 662 OH TYR A 45 -2.380 -13.035 4.869 1.00 0.00 O ATOM 0 H TYR A 45 -2.510 -7.688 2.281 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.082 -7.275 3.423 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.235 -6.958 4.474 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.668 -7.083 5.475 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -4.374 -9.392 2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.679 -8.766 6.284 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.966 -11.836 3.120 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -1.275 -11.209 6.430 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.751 -13.221 5.597 1.00 0.00 H new ATOM 672 N ALA A 46 -3.039 -4.700 3.092 1.00 0.00 N ATOM 673 CA ALA A 46 -2.922 -3.258 3.190 1.00 0.00 C ATOM 674 C ALA A 46 -3.807 -2.549 2.166 1.00 0.00 C ATOM 675 O ALA A 46 -4.230 -1.419 2.405 1.00 0.00 O ATOM 676 CB ALA A 46 -1.455 -2.887 2.991 1.00 0.00 C ATOM 0 H ALA A 46 -2.225 -5.156 2.681 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.263 -2.933 4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.341 -1.805 3.060 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.851 -3.366 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.124 -3.225 2.009 1.00 0.00 H new ATOM 682 N LEU A 47 -4.092 -3.192 1.027 1.00 0.00 N ATOM 683 CA LEU A 47 -4.948 -2.583 0.020 1.00 0.00 C ATOM 684 C LEU A 47 -6.401 -2.650 0.469 1.00 0.00 C ATOM 685 O LEU A 47 -7.171 -1.742 0.169 1.00 0.00 O ATOM 686 CB LEU A 47 -4.770 -3.282 -1.328 1.00 0.00 C ATOM 687 CG LEU A 47 -3.545 -2.774 -2.095 1.00 0.00 C ATOM 688 CD1 LEU A 47 -3.312 -3.660 -3.316 1.00 0.00 C ATOM 689 CD2 LEU A 47 -3.745 -1.339 -2.575 1.00 0.00 C ATOM 0 H LEU A 47 -3.745 -4.121 0.788 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.664 -1.537 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.674 -4.356 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -5.663 -3.129 -1.934 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.690 -2.805 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.441 -3.302 -3.865 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.140 -4.687 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.188 -3.625 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.858 -1.009 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.610 -1.294 -3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.910 -0.688 -1.717 1.00 0.00 H new ATOM 701 N ASN A 48 -6.791 -3.707 1.186 1.00 0.00 N ATOM 702 CA ASN A 48 -8.149 -3.802 1.699 1.00 0.00 C ATOM 703 C ASN A 48 -8.350 -2.774 2.812 1.00 0.00 C ATOM 704 O ASN A 48 -9.421 -2.182 2.924 1.00 0.00 O ATOM 705 CB ASN A 48 -8.404 -5.225 2.202 1.00 0.00 C ATOM 706 CG ASN A 48 -8.800 -6.153 1.065 1.00 0.00 C ATOM 707 OD1 ASN A 48 -9.983 -6.369 0.818 1.00 0.00 O ATOM 708 ND2 ASN A 48 -7.821 -6.711 0.361 1.00 0.00 N ATOM 0 H ASN A 48 -6.190 -4.497 1.419 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.865 -3.586 0.906 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -7.507 -5.606 2.689 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -9.193 -5.211 2.954 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -8.042 -7.340 -0.411 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -6.848 -6.510 0.592 1.00 0.00 H new ATOM 715 N ASP A 49 -7.323 -2.555 3.639 1.00 0.00 N ATOM 716 CA ASP A 49 -7.424 -1.616 4.741 1.00 0.00 C ATOM 717 C ASP A 49 -7.465 -0.178 4.224 1.00 0.00 C ATOM 718 O ASP A 49 -8.104 0.677 4.826 1.00 0.00 O ATOM 719 CB ASP A 49 -6.246 -1.840 5.689 1.00 0.00 C ATOM 720 CG ASP A 49 -6.326 -0.951 6.926 1.00 0.00 C ATOM 721 OD1 ASP A 49 -7.455 -0.738 7.422 1.00 0.00 O ATOM 722 OD2 ASP A 49 -5.250 -0.494 7.368 1.00 0.00 O ATOM 0 H ASP A 49 -6.418 -3.018 3.560 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.353 -1.784 5.286 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.222 -2.886 5.996 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.314 -1.642 5.161 1.00 0.00 H new ATOM 727 N TYR A 50 -6.794 0.111 3.107 1.00 0.00 N ATOM 728 CA TYR A 50 -6.855 1.428 2.501 1.00 0.00 C ATOM 729 C TYR A 50 -8.118 1.609 1.670 1.00 0.00 C ATOM 730 O TYR A 50 -8.673 2.702 1.648 1.00 0.00 O ATOM 731 CB TYR A 50 -5.597 1.636 1.657 1.00 0.00 C ATOM 732 CG TYR A 50 -5.504 2.987 0.983 1.00 0.00 C ATOM 733 CD1 TYR A 50 -6.391 3.302 -0.055 1.00 0.00 C ATOM 734 CD2 TYR A 50 -4.535 3.920 1.384 1.00 0.00 C ATOM 735 CE1 TYR A 50 -6.352 4.558 -0.666 1.00 0.00 C ATOM 736 CE2 TYR A 50 -4.465 5.174 0.755 1.00 0.00 C ATOM 737 CZ TYR A 50 -5.381 5.501 -0.266 1.00 0.00 C ATOM 738 OH TYR A 50 -5.331 6.723 -0.867 1.00 0.00 O ATOM 0 H TYR A 50 -6.204 -0.555 2.609 1.00 0.00 H new ATOM 0 HA TYR A 50 -6.896 2.182 3.287 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -4.723 1.502 2.294 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.557 0.860 0.892 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -7.111 2.568 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.843 3.674 2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -7.062 4.806 -1.441 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.710 5.887 1.053 1.00 0.00 H new ATOM 0 HH TYR A 50 -6.020 7.305 -0.483 1.00 0.00 H new ATOM 748 N TYR A 51 -8.586 0.560 0.994 1.00 0.00 N ATOM 749 CA TYR A 51 -9.859 0.633 0.288 1.00 0.00 C ATOM 750 C TYR A 51 -10.985 0.836 1.296 1.00 0.00 C ATOM 751 O TYR A 51 -12.109 1.158 0.918 1.00 0.00 O ATOM 752 CB TYR A 51 -10.091 -0.637 -0.531 1.00 0.00 C ATOM 753 CG TYR A 51 -9.166 -0.851 -1.716 1.00 0.00 C ATOM 754 CD1 TYR A 51 -8.246 0.133 -2.115 1.00 0.00 C ATOM 755 CD2 TYR A 51 -9.241 -2.062 -2.422 1.00 0.00 C ATOM 756 CE1 TYR A 51 -7.406 -0.092 -3.216 1.00 0.00 C ATOM 757 CE2 TYR A 51 -8.404 -2.293 -3.524 1.00 0.00 C ATOM 758 CZ TYR A 51 -7.483 -1.307 -3.925 1.00 0.00 C ATOM 759 OH TYR A 51 -6.670 -1.522 -4.996 1.00 0.00 O ATOM 0 H TYR A 51 -8.108 -0.338 0.922 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.840 1.478 -0.401 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.999 -1.495 0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -11.118 -0.626 -0.896 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.185 1.065 -1.573 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -9.947 -2.820 -2.115 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.700 0.667 -3.520 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.466 -3.226 -4.064 1.00 0.00 H new ATOM 0 HH TYR A 51 -6.850 -2.410 -5.370 1.00 0.00 H new ATOM 769 N ASP A 52 -10.683 0.648 2.586 1.00 0.00 N ATOM 770 CA ASP A 52 -11.635 0.906 3.654 1.00 0.00 C ATOM 771 C ASP A 52 -11.489 2.317 4.224 1.00 0.00 C ATOM 772 O ASP A 52 -12.317 2.746 5.026 1.00 0.00 O ATOM 773 CB ASP A 52 -11.433 -0.146 4.745 1.00 0.00 C ATOM 774 CG ASP A 52 -12.585 -0.179 5.743 1.00 0.00 C ATOM 775 OD1 ASP A 52 -13.742 -0.332 5.288 1.00 0.00 O ATOM 776 OD2 ASP A 52 -12.299 -0.053 6.957 1.00 0.00 O ATOM 0 H ASP A 52 -9.775 0.314 2.910 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.646 0.840 3.251 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.328 -1.128 4.284 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.503 0.059 5.275 1.00 0.00 H new ATOM 781 N LYS A 53 -10.437 3.036 3.817 1.00 0.00 N ATOM 782 CA LYS A 53 -10.128 4.363 4.330 1.00 0.00 C ATOM 783 C LYS A 53 -10.291 5.419 3.236 1.00 0.00 C ATOM 784 O LYS A 53 -11.071 6.356 3.391 1.00 0.00 O ATOM 785 CB LYS A 53 -8.683 4.392 4.838 1.00 0.00 C ATOM 786 CG LYS A 53 -8.557 4.341 6.366 1.00 0.00 C ATOM 787 CD LYS A 53 -8.485 2.935 6.955 1.00 0.00 C ATOM 788 CE LYS A 53 -9.722 2.112 6.649 1.00 0.00 C ATOM 789 NZ LYS A 53 -9.758 0.906 7.494 1.00 0.00 N ATOM 0 H LYS A 53 -9.774 2.705 3.116 1.00 0.00 H new ATOM 0 HA LYS A 53 -10.818 4.586 5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.142 3.548 4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.199 5.298 4.474 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.663 4.890 6.661 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.409 4.860 6.804 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.606 2.424 6.561 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -8.356 3.003 8.035 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.617 2.711 6.820 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.726 1.827 5.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -10.643 0.388 7.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.949 0.295 7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -9.708 1.182 8.495 1.00 0.00 H new ATOM 803 N GLU A 54 -9.547 5.251 2.137 1.00 0.00 N ATOM 804 CA GLU A 54 -9.394 6.174 1.030 1.00 0.00 C ATOM 805 C GLU A 54 -9.339 7.648 1.426 1.00 0.00 C ATOM 806 O GLU A 54 -9.713 8.523 0.648 1.00 0.00 O ATOM 807 CB GLU A 54 -10.450 5.869 -0.008 1.00 0.00 C ATOM 808 CG GLU A 54 -10.379 4.395 -0.401 1.00 0.00 C ATOM 809 CD GLU A 54 -11.346 4.077 -1.539 1.00 0.00 C ATOM 810 OE1 GLU A 54 -12.571 4.172 -1.303 1.00 0.00 O ATOM 811 OE2 GLU A 54 -10.855 3.740 -2.640 1.00 0.00 O ATOM 0 H GLU A 54 -9.000 4.401 1.998 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.407 6.011 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.439 6.102 0.387 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -10.301 6.497 -0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.362 4.146 -0.705 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.615 3.774 0.463 1.00 0.00 H new ATOM 818 N ILE A 55 -8.868 7.920 2.643 1.00 0.00 N ATOM 819 CA ILE A 55 -8.699 9.274 3.157 1.00 0.00 C ATOM 820 C ILE A 55 -7.641 10.025 2.345 1.00 0.00 C ATOM 821 O ILE A 55 -7.542 11.247 2.427 1.00 0.00 O ATOM 822 CB ILE A 55 -8.313 9.203 4.645 1.00 0.00 C ATOM 823 CG1 ILE A 55 -9.339 8.407 5.464 1.00 0.00 C ATOM 824 CG2 ILE A 55 -8.168 10.602 5.249 1.00 0.00 C ATOM 825 CD1 ILE A 55 -10.751 8.994 5.400 1.00 0.00 C ATOM 0 H ILE A 55 -8.591 7.196 3.305 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.636 9.823 3.062 1.00 0.00 H new ATOM 0 HB ILE A 55 -7.353 8.689 4.690 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.364 7.379 5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.015 8.371 6.504 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.895 10.518 6.301 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.392 11.150 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -9.114 11.136 5.162 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -11.426 8.384 6.000 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -10.740 10.012 5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -11.094 9.004 4.365 1.00 0.00 H new ATOM 837 N GLY A 56 -6.844 9.297 1.554 1.00 0.00 N ATOM 838 CA GLY A 56 -5.769 9.860 0.750 1.00 0.00 C ATOM 839 C GLY A 56 -6.273 10.609 -0.481 1.00 0.00 C ATOM 840 O GLY A 56 -5.481 10.979 -1.345 1.00 0.00 O ATOM 0 H GLY A 56 -6.935 8.286 1.458 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -5.180 10.540 1.366 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -5.102 9.058 0.433 1.00 0.00 H new ATOM 844 N THR A 57 -7.589 10.828 -0.566 1.00 0.00 N ATOM 845 CA THR A 57 -8.238 11.447 -1.714 1.00 0.00 C ATOM 846 C THR A 57 -8.287 12.970 -1.614 1.00 0.00 C ATOM 847 O THR A 57 -9.094 13.625 -2.271 1.00 0.00 O ATOM 848 CB THR A 57 -9.629 10.835 -1.882 1.00 0.00 C ATOM 849 OG1 THR A 57 -10.181 11.170 -3.137 1.00 0.00 O ATOM 850 CG2 THR A 57 -10.550 11.324 -0.763 1.00 0.00 C ATOM 0 H THR A 57 -8.240 10.574 0.177 1.00 0.00 H new ATOM 0 HA THR A 57 -7.644 11.241 -2.604 1.00 0.00 H new ATOM 0 HB THR A 57 -9.534 9.750 -1.828 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.155 12.142 -3.257 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.540 10.885 -0.888 1.00 0.00 H new ATOM 0 HG22 THR A 57 -10.140 11.026 0.202 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.628 12.410 -0.804 1.00 0.00 H new ATOM 858 N PHE A 58 -7.423 13.547 -0.784 1.00 0.00 N ATOM 859 CA PHE A 58 -7.471 14.975 -0.506 1.00 0.00 C ATOM 860 C PHE A 58 -7.240 15.802 -1.765 1.00 0.00 C ATOM 861 O PHE A 58 -7.930 16.793 -1.999 1.00 0.00 O ATOM 862 CB PHE A 58 -6.417 15.363 0.523 1.00 0.00 C ATOM 863 CG PHE A 58 -5.413 14.302 0.915 1.00 0.00 C ATOM 864 CD1 PHE A 58 -4.335 14.002 0.070 1.00 0.00 C ATOM 865 CD2 PHE A 58 -5.556 13.627 2.132 1.00 0.00 C ATOM 866 CE1 PHE A 58 -3.387 13.041 0.455 1.00 0.00 C ATOM 867 CE2 PHE A 58 -4.604 12.673 2.523 1.00 0.00 C ATOM 868 CZ PHE A 58 -3.518 12.384 1.686 1.00 0.00 C ATOM 0 H PHE A 58 -6.682 13.046 -0.293 1.00 0.00 H new ATOM 0 HA PHE A 58 -8.468 15.184 -0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.868 16.222 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.931 15.692 1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.234 14.511 -0.877 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -6.400 13.840 2.771 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -2.558 12.808 -0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.708 12.162 3.469 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.782 11.655 1.990 1.00 0.00 H new ATOM 878 N THR A 59 -6.264 15.386 -2.572 1.00 0.00 N ATOM 879 CA THR A 59 -5.861 16.102 -3.767 1.00 0.00 C ATOM 880 C THR A 59 -6.633 15.653 -5.002 1.00 0.00 C ATOM 881 O THR A 59 -6.101 15.659 -6.113 1.00 0.00 O ATOM 882 CB THR A 59 -4.348 15.988 -3.954 1.00 0.00 C ATOM 883 OG1 THR A 59 -3.955 14.633 -3.863 1.00 0.00 O ATOM 884 CG2 THR A 59 -3.619 16.795 -2.881 1.00 0.00 C ATOM 0 H THR A 59 -5.730 14.533 -2.407 1.00 0.00 H new ATOM 0 HA THR A 59 -6.111 17.155 -3.635 1.00 0.00 H new ATOM 0 HB THR A 59 -4.089 16.381 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.985 14.565 -3.985 1.00 0.00 H new ATOM 0 HG21 THR A 59 -2.543 16.705 -3.026 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.908 17.843 -2.955 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.885 16.414 -1.895 1.00 0.00 H new ATOM 892 N ASP A 60 -7.893 15.264 -4.805 1.00 0.00 N ATOM 893 CA ASP A 60 -8.775 14.809 -5.875 1.00 0.00 C ATOM 894 C ASP A 60 -9.936 15.762 -6.076 1.00 0.00 C ATOM 895 O ASP A 60 -10.841 15.524 -6.877 1.00 0.00 O ATOM 896 CB ASP A 60 -9.240 13.391 -5.575 1.00 0.00 C ATOM 897 CG ASP A 60 -9.813 12.702 -6.813 1.00 0.00 C ATOM 898 OD1 ASP A 60 -9.062 12.589 -7.808 1.00 0.00 O ATOM 899 OD2 ASP A 60 -10.996 12.294 -6.758 1.00 0.00 O ATOM 0 H ASP A 60 -8.333 15.257 -3.885 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.224 14.798 -6.815 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -8.403 12.809 -5.191 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -9.997 13.416 -4.791 1.00 0.00 H new ATOM 904 N GLU A 61 -9.884 16.856 -5.327 1.00 0.00 N ATOM 905 CA GLU A 61 -10.859 17.922 -5.357 1.00 0.00 C ATOM 906 C GLU A 61 -10.459 19.014 -6.340 1.00 0.00 C ATOM 907 O GLU A 61 -11.010 20.117 -6.333 1.00 0.00 O ATOM 908 CB GLU A 61 -10.993 18.455 -3.937 1.00 0.00 C ATOM 909 CG GLU A 61 -11.578 17.401 -2.998 1.00 0.00 C ATOM 910 CD GLU A 61 -13.038 17.089 -3.327 1.00 0.00 C ATOM 911 OE1 GLU A 61 -13.895 17.944 -3.012 1.00 0.00 O ATOM 912 OE2 GLU A 61 -13.288 15.998 -3.887 1.00 0.00 O ATOM 0 H GLU A 61 -9.131 17.025 -4.660 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.822 17.549 -5.706 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.015 18.768 -3.571 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -11.631 19.339 -3.937 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.988 16.487 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -11.505 17.752 -1.969 1.00 0.00 H new ATOM 919 N VAL A 62 -9.486 18.678 -7.185 1.00 0.00 N ATOM 920 CA VAL A 62 -8.919 19.558 -8.201 1.00 0.00 C ATOM 921 C VAL A 62 -8.774 18.804 -9.517 1.00 0.00 C ATOM 922 O VAL A 62 -8.068 17.771 -9.520 1.00 0.00 O ATOM 923 CB VAL A 62 -7.568 20.103 -7.731 1.00 0.00 C ATOM 924 CG1 VAL A 62 -6.997 21.057 -8.780 1.00 0.00 C ATOM 925 CG2 VAL A 62 -7.721 20.869 -6.416 1.00 0.00 C ATOM 0 H VAL A 62 -9.057 17.753 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 62 -9.589 20.403 -8.360 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.897 19.256 -7.584 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.036 21.441 -8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.861 20.524 -9.721 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.686 21.888 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.749 21.248 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -8.407 21.704 -6.559 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -8.117 20.202 -5.650 1.00 0.00 H new TER 935 VAL A 62