USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 108 GLN : amide:sc= 1.08 K(o=2,f=0.27) USER MOD Set 1.2: A 114 GLN : amide:sc= 0.935 K(o=2,f=0.27) USER MOD Set 2.1: A 62 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot -116:sc= 0.766 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.0487 USER MOD Single : A 50 ASN : amide:sc= 1.02 K(o=1,f=-8.9!) USER MOD Single : A 53 ASN : amide:sc=-0.00484 X(o=-0.0048,f=-0.035) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -112:sc= 0.00974 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 1:sc= 0.587 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0.0447 K(o=0.045,f=-0.88) USER MOD Single : A 90 GLN : amide:sc= -0.0654 X(o=-0.065,f=-0.09) USER MOD Single : A 91 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.081) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -168:sc= 1.01 (180deg=0.911) USER MOD Single : A 101 SER OG : rot -73:sc= 1.59 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 120:sc= -0.663 USER MOD Single : A 104 THR OG1 : rot 128:sc= 1.27 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 28 N PRO A 40 5.483 3.858 -0.398 1.00 0.00 N0 ATOM 29 CA PRO A 40 6.428 4.696 -1.123 1.00 0.00 C0 ATOM 30 C PRO A 40 7.863 4.386 -0.718 1.00 0.00 C0 ATOM 31 O PRO A 40 8.143 4.100 0.446 1.00 0.00 O0 ATOM 32 CB PRO A 40 6.020 6.114 -0.712 1.00 0.00 C0 ATOM 33 CG PRO A 40 4.573 5.992 -0.371 1.00 0.00 C0 ATOM 34 CD PRO A 40 4.458 4.650 0.300 1.00 0.00 C0 ATOM 0 HA PRO A 40 6.400 4.543 -2.202 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.602 6.465 0.140 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.180 6.825 -1.522 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.252 6.796 0.291 1.00 0.00 H new ATOM 0 HG3 PRO A 40 3.949 6.045 -1.263 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.653 4.713 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.463 4.221 0.182 1.00 0.00 H new ATOM 42 N LYS A 41 8.773 4.443 -1.686 1.00 0.00 N0 ATOM 43 CA LYS A 41 10.184 4.187 -1.429 1.00 0.00 C0 ATOM 44 C LYS A 41 10.760 5.206 -0.452 1.00 0.00 C0 ATOM 45 O LYS A 41 10.828 6.398 -0.755 1.00 0.00 O0 ATOM 46 CB LYS A 41 10.979 4.203 -2.735 1.00 0.00 C0 ATOM 47 CG LYS A 41 12.452 3.848 -2.579 1.00 0.00 C0 ATOM 48 CD LYS A 41 13.158 3.819 -3.926 1.00 0.00 C0 ATOM 49 CE LYS A 41 14.629 3.458 -3.773 1.00 0.00 C0 ATOM 50 NZ LYS A 41 15.333 3.426 -5.084 1.00 0.00 N0 ATOM 0 H LYS A 41 8.556 4.665 -2.658 1.00 0.00 H new ATOM 0 HA LYS A 41 10.266 3.198 -0.978 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.521 3.503 -3.434 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.902 5.195 -3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 41 12.937 4.575 -1.927 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.545 2.875 -2.096 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.670 3.095 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 41 13.069 4.793 -4.407 1.00 0.00 H new ATOM 0 HE2 LYS A 41 15.114 4.182 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.715 2.484 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 16.332 3.176 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 14.887 2.717 -5.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 15.273 4.362 -5.533 1.00 0.00 H new ATOM 64 N GLY A 42 11.171 4.731 0.718 1.00 0.00 N0 ATOM 65 CA GLY A 42 11.756 5.598 1.733 1.00 0.00 C0 ATOM 66 C GLY A 42 10.724 5.984 2.786 1.00 0.00 C0 ATOM 67 O GLY A 42 11.009 6.775 3.687 1.00 0.00 O0 ATOM 0 H GLY A 42 11.110 3.749 0.987 1.00 0.00 H new ATOM 0 HA2 GLY A 42 12.594 5.090 2.210 1.00 0.00 H new ATOM 0 HA3 GLY A 42 12.154 6.497 1.262 1.00 0.00 H new ATOM 71 N SER A 43 9.527 5.421 2.671 1.00 0.00 N0 ATOM 72 CA SER A 43 8.446 5.720 3.601 1.00 0.00 C0 ATOM 73 C SER A 43 8.777 5.231 5.005 1.00 0.00 C0 ATOM 74 O SER A 43 9.193 4.087 5.193 1.00 0.00 O0 ATOM 75 CB SER A 43 7.156 5.082 3.126 1.00 0.00 C0 ATOM 76 OG SER A 43 6.133 5.253 4.068 1.00 0.00 O0 ATOM 0 H SER A 43 9.281 4.753 1.941 1.00 0.00 H new ATOM 0 HA SER A 43 8.323 6.802 3.635 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.857 5.523 2.175 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.316 4.019 2.948 1.00 0.00 H new ATOM 0 HG SER A 43 5.851 4.378 4.407 1.00 0.00 H new ATOM 82 N ALA A 44 8.592 6.104 5.989 1.00 0.00 N0 ATOM 83 CA ALA A 44 8.743 5.724 7.389 1.00 0.00 C0 ATOM 84 C ALA A 44 7.424 5.855 8.140 1.00 0.00 C0 ATOM 85 O ALA A 44 6.623 6.747 7.857 1.00 0.00 O0 ATOM 86 CB ALA A 44 9.818 6.571 8.055 1.00 0.00 C0 ATOM 0 H ALA A 44 8.337 7.081 5.843 1.00 0.00 H new ATOM 0 HA ALA A 44 9.048 4.678 7.423 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.919 6.276 9.099 1.00 0.00 H new ATOM 0 HB2 ALA A 44 10.768 6.422 7.542 1.00 0.00 H new ATOM 0 HB3 ALA A 44 9.538 7.623 8.001 1.00 0.00 H new ATOM 92 N PHE A 45 7.204 4.963 9.099 1.00 0.00 N0 ATOM 93 CA PHE A 45 5.934 4.902 9.813 1.00 0.00 C0 ATOM 94 C PHE A 45 6.141 5.020 11.317 1.00 0.00 C0 ATOM 95 O PHE A 45 7.037 4.389 11.881 1.00 0.00 O0 ATOM 96 CB PHE A 45 5.203 3.597 9.494 1.00 0.00 C0 ATOM 97 CG PHE A 45 4.908 3.408 8.033 1.00 0.00 C0 ATOM 98 CD1 PHE A 45 5.823 2.780 7.202 1.00 0.00 C0 ATOM 99 CD2 PHE A 45 3.717 3.860 7.487 1.00 0.00 C0 ATOM 100 CE1 PHE A 45 5.554 2.606 5.858 1.00 0.00 C0 ATOM 101 CE2 PHE A 45 3.443 3.685 6.145 1.00 0.00 C0 ATOM 102 CZ PHE A 45 4.364 3.059 5.329 1.00 0.00 C0 ATOM 0 H PHE A 45 7.890 4.271 9.400 1.00 0.00 H new ATOM 0 HA PHE A 45 5.327 5.744 9.481 1.00 0.00 H new ATOM 0 HB2 PHE A 45 5.805 2.759 9.845 1.00 0.00 H new ATOM 0 HB3 PHE A 45 4.266 3.571 10.050 1.00 0.00 H new ATOM 0 HD1 PHE A 45 6.757 2.423 7.610 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.994 4.355 8.119 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.276 2.115 5.222 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.509 4.038 5.734 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.153 2.924 4.278 1.00 0.00 H new ATOM 112 N VAL A 46 5.310 5.829 11.964 1.00 0.00 N0 ATOM 113 CA VAL A 46 5.270 5.884 13.420 1.00 0.00 C0 ATOM 114 C VAL A 46 3.865 5.616 13.944 1.00 0.00 C0 ATOM 115 O VAL A 46 2.908 6.289 13.556 1.00 0.00 O0 ATOM 116 CB VAL A 46 5.744 7.264 13.915 1.00 0.00 C0 ATOM 117 CG1 VAL A 46 5.694 7.331 15.434 1.00 0.00 C0 ATOM 118 CG2 VAL A 46 7.152 7.539 13.410 1.00 0.00 C0 ATOM 0 H VAL A 46 4.653 6.457 11.501 1.00 0.00 H new ATOM 0 HA VAL A 46 5.937 5.110 13.799 1.00 0.00 H new ATOM 0 HB VAL A 46 5.076 8.030 13.521 1.00 0.00 H new ATOM 0 HG11 VAL A 46 6.032 8.313 15.766 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.671 7.166 15.772 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.343 6.562 15.854 1.00 0.00 H new ATOM 0 HG21 VAL A 46 7.481 8.516 13.764 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.829 6.771 13.784 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.156 7.527 12.320 1.00 0.00 H new ATOM 128 N ARG A 47 3.746 4.630 14.825 1.00 0.00 N0 ATOM 129 CA ARG A 47 2.470 4.317 15.458 1.00 0.00 C0 ATOM 130 C ARG A 47 2.486 4.678 16.938 1.00 0.00 C0 ATOM 131 O ARG A 47 3.190 4.054 17.731 1.00 0.00 O0 ATOM 132 CB ARG A 47 2.145 2.839 15.304 1.00 0.00 C0 ATOM 133 CG ARG A 47 0.913 2.374 16.065 1.00 0.00 C0 ATOM 134 CD ARG A 47 0.408 1.075 15.549 1.00 0.00 C0 ATOM 135 NE ARG A 47 -0.285 1.229 14.280 1.00 0.00 N0 ATOM 136 CZ ARG A 47 -0.672 0.208 13.490 1.00 0.00 C0 ATOM 137 NH1 ARG A 47 -0.427 -1.032 13.852 1.00 0.00 N0 ATOM 138 NH2 ARG A 47 -1.297 0.452 12.351 1.00 0.00 N0 ATOM 0 H ARG A 47 4.519 4.032 15.118 1.00 0.00 H new ATOM 0 HA ARG A 47 1.703 4.911 14.960 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.005 2.621 14.245 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.003 2.256 15.639 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.154 2.277 17.124 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.129 3.127 15.985 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.242 0.384 15.426 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.268 0.632 16.280 1.00 0.00 H new ATOM 0 HE ARG A 47 -0.493 2.177 13.965 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.056 -1.221 14.730 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.720 -1.805 13.254 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -1.487 1.414 12.069 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.589 -0.322 11.754 1.00 0.00 H new ATOM 152 N ALA A 48 1.707 5.690 17.303 1.00 0.00 N0 ATOM 153 CA ALA A 48 1.562 6.081 18.700 1.00 0.00 C0 ATOM 154 C ALA A 48 0.562 5.187 19.423 1.00 0.00 C0 ATOM 155 O ALA A 48 -0.385 4.684 18.818 1.00 0.00 O0 ATOM 156 CB ALA A 48 1.137 7.539 18.803 1.00 0.00 C0 ATOM 0 H ALA A 48 1.165 6.255 16.649 1.00 0.00 H new ATOM 0 HA ALA A 48 2.532 5.962 19.183 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.033 7.814 19.853 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.891 8.172 18.334 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.182 7.676 18.296 1.00 0.00 H new ATOM 162 N TYR A 49 0.778 4.992 20.718 1.00 0.00 N0 ATOM 163 CA TYR A 49 -0.128 4.194 21.535 1.00 0.00 C0 ATOM 164 C TYR A 49 -0.170 4.702 22.971 1.00 0.00 C0 ATOM 165 O TYR A 49 0.870 4.945 23.583 1.00 0.00 O0 ATOM 166 CB TYR A 49 0.284 2.719 21.507 1.00 0.00 C0 ATOM 167 CG TYR A 49 -0.566 1.832 22.390 1.00 0.00 C0 ATOM 168 CD1 TYR A 49 -1.831 1.449 21.974 1.00 0.00 C0 ATOM 169 CD2 TYR A 49 -0.077 1.402 23.614 1.00 0.00 C0 ATOM 170 CE1 TYR A 49 -2.607 0.638 22.781 1.00 0.00 C0 ATOM 171 CE2 TYR A 49 -0.851 0.592 24.420 1.00 0.00 C0 ATOM 172 CZ TYR A 49 -2.111 0.209 24.008 1.00 0.00 C0 ATOM 173 OH TYR A 49 -2.882 -0.599 24.812 1.00 0.00 O0 ATOM 0 H TYR A 49 1.575 5.376 21.226 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.129 4.289 21.113 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.229 2.355 20.481 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.325 2.636 21.819 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.211 1.784 21.020 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.909 1.701 23.937 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.594 0.339 22.460 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.470 0.258 25.374 1.00 0.00 H new ATOM 0 HH TYR A 49 -2.389 -0.810 25.633 1.00 0.00 H new ATOM 183 N ASN A 50 -1.377 4.861 23.502 1.00 0.00 N0 ATOM 184 CA ASN A 50 -1.556 5.352 24.863 1.00 0.00 C0 ATOM 185 C ASN A 50 -1.618 4.202 25.860 1.00 0.00 C0 ATOM 186 O ASN A 50 -2.658 3.562 26.021 1.00 0.00 O0 ATOM 187 CB ASN A 50 -2.804 6.211 24.961 1.00 0.00 C0 ATOM 188 CG ASN A 50 -2.960 6.851 26.313 1.00 0.00 C0 ATOM 189 OD1 ASN A 50 -2.375 6.392 27.301 1.00 0.00 O0 ATOM 190 ND2 ASN A 50 -3.737 7.901 26.375 1.00 0.00 N0 ATOM 0 H ASN A 50 -2.247 4.657 23.010 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.691 5.967 25.114 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.767 6.988 24.197 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.680 5.598 24.750 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -3.881 8.377 27.266 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -4.199 8.244 25.533 1.00 0.00 H new ATOM 197 N ALA A 51 -0.498 3.942 26.526 1.00 0.00 N0 ATOM 198 CA ALA A 51 -0.395 2.810 27.439 1.00 0.00 C0 ATOM 199 C ALA A 51 -0.761 3.216 28.861 1.00 0.00 C0 ATOM 200 O ALA A 51 -0.642 2.420 29.793 1.00 0.00 O0 ATOM 201 CB ALA A 51 1.008 2.224 27.400 1.00 0.00 C0 ATOM 0 H ALA A 51 0.352 4.501 26.450 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.103 2.048 27.113 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.069 1.380 28.087 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.233 1.886 26.389 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.729 2.986 27.697 1.00 0.00 H new ATOM 207 N GLY A 52 -1.204 4.457 29.023 1.00 0.00 N0 ATOM 208 CA GLY A 52 -1.554 4.981 30.337 1.00 0.00 C0 ATOM 209 C GLY A 52 -3.046 4.835 30.609 1.00 0.00 C0 ATOM 210 O GLY A 52 -3.767 4.198 29.842 1.00 0.00 O0 ATOM 0 H GLY A 52 -1.329 5.120 28.258 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.988 4.453 31.105 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.271 6.032 30.399 1.00 0.00 H new ATOM 214 N ASN A 53 -3.504 5.428 31.706 1.00 0.00 N0 ATOM 215 CA ASN A 53 -4.910 5.363 32.083 1.00 0.00 C0 ATOM 216 C ASN A 53 -5.556 6.743 32.042 1.00 0.00 C0 ATOM 217 O ASN A 53 -6.532 7.004 32.746 1.00 0.00 O0 ATOM 218 CB ASN A 53 -5.068 4.741 33.457 1.00 0.00 C0 ATOM 219 CG ASN A 53 -4.692 3.285 33.479 1.00 0.00 C0 ATOM 220 OD1 ASN A 53 -5.242 2.478 32.723 1.00 0.00 O0 ATOM 221 ND2 ASN A 53 -3.763 2.935 34.333 1.00 0.00 N0 ATOM 0 H ASN A 53 -2.920 5.960 32.351 1.00 0.00 H new ATOM 0 HA ASN A 53 -5.421 4.731 31.357 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.448 5.283 34.171 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -6.102 4.851 33.785 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -3.466 1.961 34.393 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -3.336 3.636 34.938 1.00 0.00 H new ATOM 228 N SER A 54 -5.005 7.624 31.214 1.00 0.00 N0 ATOM 229 CA SER A 54 -5.517 8.983 31.090 1.00 0.00 C0 ATOM 230 C SER A 54 -5.252 9.547 29.700 1.00 0.00 C0 ATOM 231 O SER A 54 -4.442 9.008 28.945 1.00 0.00 O0 ATOM 232 CB SER A 54 -4.883 9.878 32.138 1.00 0.00 C0 ATOM 233 OG SER A 54 -3.515 10.051 31.890 1.00 0.00 O0 ATOM 0 H SER A 54 -4.203 7.420 30.618 1.00 0.00 H new ATOM 0 HA SER A 54 -6.595 8.951 31.246 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.381 10.848 32.142 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.025 9.442 33.127 1.00 0.00 H new ATOM 0 HG SER A 54 -3.129 10.633 32.578 1.00 0.00 H new ATOM 239 N GLU A 55 -5.937 10.636 29.368 1.00 0.00 N0 ATOM 240 CA GLU A 55 -5.792 11.262 28.059 1.00 0.00 C0 ATOM 241 C GLU A 55 -4.529 12.109 27.991 1.00 0.00 C0 ATOM 242 O GLU A 55 -4.287 12.951 28.856 1.00 0.00 O0 ATOM 243 CB GLU A 55 -7.015 12.126 27.745 1.00 0.00 C0 ATOM 244 CG GLU A 55 -8.311 11.345 27.577 1.00 0.00 C0 ATOM 245 CD GLU A 55 -9.497 12.230 27.308 1.00 0.00 C0 ATOM 246 OE1 GLU A 55 -9.322 13.423 27.245 1.00 0.00 O0 ATOM 247 OE2 GLU A 55 -10.579 11.711 27.165 1.00 0.00 O0 ATOM 0 H GLU A 55 -6.598 11.104 29.988 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.713 10.468 27.316 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.145 12.854 28.545 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.823 12.688 26.831 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.199 10.637 26.756 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.497 10.761 28.478 1.00 0.00 H new ATOM 254 N LEU A 56 -3.726 11.883 26.957 1.00 0.00 N0 ATOM 255 CA LEU A 56 -2.456 12.584 26.804 1.00 0.00 C0 ATOM 256 C LEU A 56 -2.322 13.184 25.412 1.00 0.00 C0 ATOM 257 O LEU A 56 -2.850 12.644 24.439 1.00 0.00 O0 ATOM 258 CB LEU A 56 -1.287 11.626 27.071 1.00 0.00 C0 ATOM 259 CG LEU A 56 -1.216 11.039 28.486 1.00 0.00 C0 ATOM 260 CD1 LEU A 56 -0.153 9.951 28.531 1.00 0.00 C0 ATOM 261 CD2 LEU A 56 -0.908 12.149 29.480 1.00 0.00 C0 ATOM 0 H LEU A 56 -3.932 11.219 26.211 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.432 13.396 27.531 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.346 10.803 26.359 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.355 12.155 26.870 1.00 0.00 H new ATOM 0 HG LEU A 56 -2.174 10.594 28.755 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.102 9.533 29.537 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.409 9.163 27.823 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.815 10.377 28.265 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.857 11.733 30.486 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.048 12.608 29.228 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.694 12.903 29.438 1.00 0.00 H new ATOM 273 N ASP A 57 -1.614 14.304 25.321 1.00 0.00 N0 ATOM 274 CA ASP A 57 -1.338 14.934 24.036 1.00 0.00 C0 ATOM 275 C ASP A 57 -0.107 14.327 23.378 1.00 0.00 C0 ATOM 276 O ASP A 57 0.953 14.227 23.996 1.00 0.00 O0 ATOM 277 CB ASP A 57 -1.140 16.443 24.209 1.00 0.00 C0 ATOM 278 CG ASP A 57 -2.406 17.159 24.660 1.00 0.00 C0 ATOM 279 OD1 ASP A 57 -3.464 16.586 24.541 1.00 0.00 O0 ATOM 280 OD2 ASP A 57 -2.303 18.271 25.122 1.00 0.00 O0 ATOM 0 H ASP A 57 -1.220 14.795 26.124 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.198 14.757 23.390 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.349 16.619 24.938 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.804 16.871 23.265 1.00 0.00 H new ATOM 285 N VAL A 58 -0.252 13.924 22.120 1.00 0.00 N0 ATOM 286 CA VAL A 58 0.844 13.305 21.381 1.00 0.00 C0 ATOM 287 C VAL A 58 1.150 14.074 20.103 1.00 0.00 C0 ATOM 288 O VAL A 58 0.251 14.375 19.319 1.00 0.00 O0 ATOM 289 CB VAL A 58 0.494 11.846 21.030 1.00 0.00 C0 ATOM 290 CG1 VAL A 58 1.614 11.212 20.220 1.00 0.00 C0 ATOM 291 CG2 VAL A 58 0.233 11.055 22.304 1.00 0.00 C0 ATOM 0 H VAL A 58 -1.119 14.015 21.590 1.00 0.00 H new ATOM 0 HA VAL A 58 1.728 13.325 22.019 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.411 11.834 20.422 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.351 10.182 19.980 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.759 11.774 19.297 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.536 11.225 20.801 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.014 10.025 22.048 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.125 11.070 22.931 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.599 11.503 22.847 1.00 0.00 H new ATOM 301 N SER A 59 2.424 14.389 19.898 1.00 0.00 N0 ATOM 302 CA SER A 59 2.848 15.144 18.727 1.00 0.00 C0 ATOM 303 C SER A 59 4.112 14.551 18.116 1.00 0.00 C0 ATOM 304 O SER A 59 5.133 14.419 18.788 1.00 0.00 O0 ATOM 305 CB SER A 59 3.088 16.594 19.100 1.00 0.00 C0 ATOM 306 OG SER A 59 3.548 17.327 17.997 1.00 0.00 O0 ATOM 0 H SER A 59 3.182 14.132 20.530 1.00 0.00 H new ATOM 0 HA SER A 59 2.052 15.088 17.985 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.164 17.035 19.474 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.818 16.649 19.908 1.00 0.00 H new ATOM 0 HG SER A 59 3.694 18.259 18.262 1.00 0.00 H new ATOM 312 N VAL A 60 4.034 14.197 16.837 1.00 0.00 N0 ATOM 313 CA VAL A 60 5.183 13.656 16.122 1.00 0.00 C0 ATOM 314 C VAL A 60 5.453 14.437 14.842 1.00 0.00 C0 ATOM 315 O VAL A 60 4.707 14.327 13.868 1.00 0.00 O0 ATOM 316 CB VAL A 60 4.949 12.174 15.776 1.00 0.00 C0 ATOM 317 CG1 VAL A 60 6.137 11.611 15.010 1.00 0.00 C0 ATOM 318 CG2 VAL A 60 4.702 11.378 17.049 1.00 0.00 C0 ATOM 0 H VAL A 60 3.186 14.275 16.275 1.00 0.00 H new ATOM 0 HA VAL A 60 6.051 13.746 16.775 1.00 0.00 H new ATOM 0 HB VAL A 60 4.069 12.095 15.138 1.00 0.00 H new ATOM 0 HG11 VAL A 60 5.954 10.563 14.774 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.273 12.173 14.086 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.036 11.694 15.621 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.537 10.330 16.797 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.569 11.461 17.704 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.823 11.771 17.559 1.00 0.00 H new ATOM 328 N GLY A 61 6.521 15.226 14.849 1.00 0.00 N0 ATOM 329 CA GLY A 61 6.887 16.030 13.689 1.00 0.00 C0 ATOM 330 C GLY A 61 5.930 17.202 13.507 1.00 0.00 C0 ATOM 331 O GLY A 61 5.847 18.085 14.360 1.00 0.00 O0 ATOM 0 H GLY A 61 7.149 15.326 15.646 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.904 16.403 13.808 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.878 15.408 12.794 1.00 0.00 H new ATOM 335 N SER A 62 5.210 17.202 12.391 1.00 0.00 N0 ATOM 336 CA SER A 62 4.317 18.305 12.055 1.00 0.00 C0 ATOM 337 C SER A 62 2.865 17.945 12.342 1.00 0.00 C0 ATOM 338 O SER A 62 1.975 18.790 12.242 1.00 0.00 O0 ATOM 339 CB SER A 62 4.476 18.680 10.594 1.00 0.00 C0 ATOM 340 OG SER A 62 4.081 17.625 9.761 1.00 0.00 O0 ATOM 0 H SER A 62 5.227 16.450 11.703 1.00 0.00 H new ATOM 0 HA SER A 62 4.587 19.158 12.678 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.879 19.565 10.375 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.515 18.939 10.392 1.00 0.00 H new ATOM 0 HG SER A 62 4.190 17.890 8.824 1.00 0.00 H new ATOM 346 N THR A 63 2.632 16.688 12.699 1.00 0.00 N0 ATOM 347 CA THR A 63 1.280 16.201 12.950 1.00 0.00 C0 ATOM 348 C THR A 63 1.105 15.792 14.408 1.00 0.00 C0 ATOM 349 O THR A 63 1.969 15.134 14.987 1.00 0.00 O0 ATOM 350 CB THR A 63 0.940 15.010 12.035 1.00 0.00 C0 ATOM 351 OG1 THR A 63 1.037 15.416 10.663 1.00 0.00 O0 ATOM 352 CG2 THR A 63 -0.469 14.509 12.313 1.00 0.00 C0 ATOM 0 H THR A 63 3.362 15.986 12.821 1.00 0.00 H new ATOM 0 HA THR A 63 0.596 17.020 12.730 1.00 0.00 H new ATOM 0 HB THR A 63 1.647 14.204 12.234 1.00 0.00 H new ATOM 0 HG1 THR A 63 0.822 14.657 10.081 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.692 13.667 11.657 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.543 14.189 13.352 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.183 15.311 12.129 1.00 0.00 H new ATOM 360 N SER A 64 -0.020 16.185 14.996 1.00 0.00 N0 ATOM 361 CA SER A 64 -0.259 15.960 16.416 1.00 0.00 C0 ATOM 362 C SER A 64 -1.719 15.610 16.679 1.00 0.00 C0 ATOM 363 O SER A 64 -2.598 15.927 15.877 1.00 0.00 O0 ATOM 364 CB SER A 64 0.125 17.191 17.214 1.00 0.00 C0 ATOM 365 OG SER A 64 -0.710 18.273 16.901 1.00 0.00 O0 ATOM 0 H SER A 64 -0.780 16.661 14.511 1.00 0.00 H new ATOM 0 HA SER A 64 0.359 15.119 16.731 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.059 16.973 18.280 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.162 17.455 17.006 1.00 0.00 H new ATOM 0 HG SER A 64 -0.444 19.055 17.429 1.00 0.00 H new ATOM 371 N LEU A 65 -1.971 14.953 17.807 1.00 0.00 N0 ATOM 372 CA LEU A 65 -3.334 14.640 18.222 1.00 0.00 C0 ATOM 373 C LEU A 65 -3.521 14.879 19.715 1.00 0.00 C0 ATOM 374 O LEU A 65 -2.850 14.262 20.542 1.00 0.00 O0 ATOM 375 CB LEU A 65 -3.668 13.182 17.886 1.00 0.00 C0 ATOM 376 CG LEU A 65 -5.054 12.698 18.329 1.00 0.00 C0 ATOM 377 CD1 LEU A 65 -6.128 13.505 17.611 1.00 0.00 C0 ATOM 378 CD2 LEU A 65 -5.194 11.213 18.029 1.00 0.00 C0 ATOM 0 H LEU A 65 -1.249 14.627 18.450 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.010 15.300 17.679 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.585 13.049 16.807 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.916 12.541 18.346 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.174 12.844 19.402 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.113 13.161 17.926 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.016 14.561 17.858 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.024 13.372 16.534 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.179 10.869 18.344 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.076 11.045 16.958 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.427 10.659 18.569 1.00 0.00 H new ATOM 390 N ASN A 66 -4.440 15.777 20.054 1.00 0.00 N0 ATOM 391 CA ASN A 66 -4.654 16.166 21.442 1.00 0.00 C0 ATOM 392 C ASN A 66 -5.668 15.255 22.120 1.00 0.00 C0 ATOM 393 O ASN A 66 -6.566 14.717 21.472 1.00 0.00 O0 ATOM 394 CB ASN A 66 -5.099 17.616 21.528 1.00 0.00 C0 ATOM 395 CG ASN A 66 -4.036 18.574 21.070 1.00 0.00 C0 ATOM 396 OD1 ASN A 66 -2.844 18.367 21.325 1.00 0.00 O0 ATOM 397 ND2 ASN A 66 -4.443 19.621 20.398 1.00 0.00 N0 ATOM 0 H ASN A 66 -5.049 16.249 19.385 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.705 16.062 21.968 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -5.994 17.754 20.921 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.373 17.848 22.557 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.766 20.306 20.062 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.437 19.752 20.210 1.00 0.00 H new ATOM 404 N ASP A 67 -5.520 15.082 23.429 1.00 0.00 N0 ATOM 405 CA ASP A 67 -6.454 14.278 24.207 1.00 0.00 C0 ATOM 406 C ASP A 67 -6.598 12.880 23.622 1.00 0.00 C0 ATOM 407 O ASP A 67 -7.693 12.464 23.245 1.00 0.00 O0 ATOM 408 CB ASP A 67 -7.825 14.956 24.266 1.00 0.00 C0 ATOM 409 CG ASP A 67 -7.786 16.315 24.954 1.00 0.00 C0 ATOM 410 OD1 ASP A 67 -7.088 16.443 25.932 1.00 0.00 O0 ATOM 411 OD2 ASP A 67 -8.454 17.209 24.495 1.00 0.00 O0 ATOM 0 H ASP A 67 -4.760 15.489 23.974 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.053 14.190 25.217 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.208 15.078 23.253 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.523 14.307 24.794 1.00 0.00 H new ATOM 416 N VAL A 68 -5.485 12.157 23.549 1.00 0.00 N0 ATOM 417 CA VAL A 68 -5.495 10.780 23.070 1.00 0.00 C0 ATOM 418 C VAL A 68 -6.044 9.832 24.128 1.00 0.00 C0 ATOM 419 O VAL A 68 -5.506 9.740 25.232 1.00 0.00 O0 ATOM 420 CB VAL A 68 -4.073 10.339 22.679 1.00 0.00 C0 ATOM 421 CG1 VAL A 68 -4.065 8.879 22.252 1.00 0.00 C0 ATOM 422 CG2 VAL A 68 -3.541 11.230 21.565 1.00 0.00 C0 ATOM 0 H VAL A 68 -4.563 12.503 23.816 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.144 10.740 22.195 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.422 10.440 23.547 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.051 8.585 21.979 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.414 8.257 23.076 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.724 8.747 21.394 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.534 10.912 21.294 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.193 11.153 20.695 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.514 12.264 21.908 1.00 0.00 H new ATOM 432 N ALA A 69 -7.119 9.131 23.787 1.00 0.00 N0 ATOM 433 CA ALA A 69 -7.823 8.290 24.748 1.00 0.00 C0 ATOM 434 C ALA A 69 -6.948 7.134 25.214 1.00 0.00 C0 ATOM 435 O ALA A 69 -6.110 6.634 24.462 1.00 0.00 O0 ATOM 436 CB ALA A 69 -9.118 7.765 24.145 1.00 0.00 C0 ATOM 0 H ALA A 69 -7.523 9.128 22.850 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.063 8.902 25.618 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.632 7.139 24.875 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.758 8.604 23.872 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.893 7.176 23.256 1.00 0.00 H new ATOM 442 N PRO A 70 -7.146 6.712 26.458 1.00 0.00 N0 ATOM 443 CA PRO A 70 -6.424 5.569 27.004 1.00 0.00 C0 ATOM 444 C PRO A 70 -6.542 4.356 26.091 1.00 0.00 C0 ATOM 445 O PRO A 70 -7.636 4.010 25.642 1.00 0.00 O0 ATOM 446 CB PRO A 70 -7.116 5.335 28.349 1.00 0.00 C0 ATOM 447 CG PRO A 70 -7.614 6.683 28.745 1.00 0.00 C0 ATOM 448 CD PRO A 70 -8.075 7.304 27.454 1.00 0.00 C0 ATOM 0 HA PRO A 70 -5.352 5.742 27.104 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -7.934 4.620 28.257 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -6.423 4.934 29.089 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -8.429 6.610 29.465 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -6.828 7.276 29.213 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.114 7.058 27.235 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -8.003 8.391 27.479 1.00 0.00 H new ATOM 456 N LEU A 71 -5.413 3.711 25.821 1.00 0.00 N0 ATOM 457 CA LEU A 71 -5.388 2.534 24.960 1.00 0.00 C0 ATOM 458 C LEU A 71 -5.749 2.895 23.525 1.00 0.00 C0 ATOM 459 O LEU A 71 -6.158 2.037 22.743 1.00 0.00 O0 ATOM 460 CB LEU A 71 -6.362 1.472 25.487 1.00 0.00 C0 ATOM 461 CG LEU A 71 -6.203 1.099 26.965 1.00 0.00 C0 ATOM 462 CD1 LEU A 71 -7.238 0.047 27.338 1.00 0.00 C0 ATOM 463 CD2 LEU A 71 -4.791 0.589 27.212 1.00 0.00 C0 ATOM 0 H LEU A 71 -4.501 3.984 26.187 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.375 2.133 24.970 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.380 1.829 25.329 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.244 0.569 24.889 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.365 1.977 27.590 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.125 -0.218 28.389 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.239 0.445 27.170 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.093 -0.841 26.722 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.679 0.324 28.263 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.609 -0.291 26.595 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.073 1.368 26.955 1.00 0.00 H new ATOM 475 N GLY A 72 -5.594 4.171 23.184 1.00 0.00 N0 ATOM 476 CA GLY A 72 -5.798 4.627 21.815 1.00 0.00 C0 ATOM 477 C GLY A 72 -4.499 4.577 21.019 1.00 0.00 C0 ATOM 478 O GLY A 72 -3.495 4.042 21.486 1.00 0.00 O0 ATOM 0 H GLY A 72 -5.328 4.907 23.838 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.549 4.004 21.330 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.185 5.646 21.822 1.00 0.00 H new ATOM 482 N SER A 73 -4.527 5.140 19.816 1.00 0.00 N0 ATOM 483 CA SER A 73 -3.374 5.100 18.925 1.00 0.00 C0 ATOM 484 C SER A 73 -3.457 6.191 17.866 1.00 0.00 C0 ATOM 485 O SER A 73 -4.508 6.805 17.674 1.00 0.00 O0 ATOM 486 CB SER A 73 -3.276 3.741 18.259 1.00 0.00 C0 ATOM 487 OG SER A 73 -4.334 3.544 17.361 1.00 0.00 O0 ATOM 0 H SER A 73 -5.337 5.630 19.435 1.00 0.00 H new ATOM 0 HA SER A 73 -2.480 5.274 19.524 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.326 3.659 17.731 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.288 2.959 19.018 1.00 0.00 H new ATOM 0 HG SER A 73 -4.248 2.662 16.943 1.00 0.00 H new ATOM 493 N SER A 74 -2.346 6.428 17.178 1.00 0.00 N0 ATOM 494 CA SER A 74 -2.308 7.402 16.094 1.00 0.00 C0 ATOM 495 C SER A 74 -1.155 7.120 15.140 1.00 0.00 C0 ATOM 496 O SER A 74 0.011 7.147 15.536 1.00 0.00 O0 ATOM 497 CB SER A 74 -2.180 8.805 16.657 1.00 0.00 C0 ATOM 498 OG SER A 74 -2.102 9.753 15.629 1.00 0.00 O0 ATOM 0 H SER A 74 -1.458 5.958 17.352 1.00 0.00 H new ATOM 0 HA SER A 74 -3.241 7.320 15.536 1.00 0.00 H new ATOM 0 HB2 SER A 74 -3.036 9.024 17.295 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.291 8.869 17.284 1.00 0.00 H new ATOM 0 HG SER A 74 -1.207 10.151 15.618 1.00 0.00 H new ATOM 504 N ASP A 75 -1.486 6.851 13.882 1.00 0.00 N0 ATOM 505 CA ASP A 75 -0.483 6.497 12.884 1.00 0.00 C0 ATOM 506 C ASP A 75 0.070 7.737 12.194 1.00 0.00 C0 ATOM 507 O ASP A 75 -0.672 8.663 11.874 1.00 0.00 O0 ATOM 508 CB ASP A 75 -1.078 5.548 11.841 1.00 0.00 C0 ATOM 509 CG ASP A 75 -1.295 4.138 12.376 1.00 0.00 C0 ATOM 510 OD1 ASP A 75 -0.774 3.836 13.424 1.00 0.00 O0 ATOM 511 OD2 ASP A 75 -1.978 3.379 11.733 1.00 0.00 O0 ATOM 0 H ASP A 75 -2.443 6.871 13.529 1.00 0.00 H new ATOM 0 HA ASP A 75 0.335 5.996 13.401 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.030 5.949 11.493 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -0.415 5.505 10.977 1.00 0.00 H new ATOM 516 N PHE A 76 1.379 7.747 11.970 1.00 0.00 N0 ATOM 517 CA PHE A 76 2.013 8.798 11.180 1.00 0.00 C0 ATOM 518 C PHE A 76 2.736 8.217 9.972 1.00 0.00 C0 ATOM 519 O PHE A 76 3.896 7.813 10.066 1.00 0.00 O0 ATOM 520 CB PHE A 76 2.999 9.590 12.039 1.00 0.00 C0 ATOM 521 CG PHE A 76 2.389 10.169 13.283 1.00 0.00 C0 ATOM 522 CD1 PHE A 76 2.394 9.455 14.473 1.00 0.00 C0 ATOM 523 CD2 PHE A 76 1.810 11.429 13.268 1.00 0.00 C0 ATOM 524 CE1 PHE A 76 1.832 9.987 15.618 1.00 0.00 C0 ATOM 525 CE2 PHE A 76 1.249 11.964 14.413 1.00 0.00 C0 ATOM 526 CZ PHE A 76 1.261 11.241 15.589 1.00 0.00 C0 ATOM 0 H PHE A 76 2.023 7.039 12.324 1.00 0.00 H new ATOM 0 HA PHE A 76 1.228 9.466 10.825 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.826 8.938 12.320 1.00 0.00 H new ATOM 0 HB3 PHE A 76 3.419 10.399 11.441 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.842 8.473 14.505 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.797 11.999 12.351 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.840 9.419 16.537 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.802 12.947 14.387 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.824 11.657 16.485 1.00 0.00 H new ATOM 536 N LYS A 77 2.046 8.178 8.837 1.00 0.00 N0 ATOM 537 CA LYS A 77 2.471 7.358 7.710 1.00 0.00 C0 ATOM 538 C LYS A 77 3.229 8.185 6.681 1.00 0.00 C0 ATOM 539 O LYS A 77 3.045 9.398 6.587 1.00 0.00 O0 ATOM 540 CB LYS A 77 1.264 6.682 7.054 1.00 0.00 C0 ATOM 541 CG LYS A 77 0.487 5.750 7.976 1.00 0.00 C0 ATOM 542 CD LYS A 77 -0.646 5.059 7.235 1.00 0.00 C0 ATOM 543 CE LYS A 77 -1.423 4.127 8.155 1.00 0.00 C0 ATOM 544 NZ LYS A 77 -2.544 3.453 7.446 1.00 0.00 N0 ATOM 0 H LYS A 77 1.189 8.706 8.674 1.00 0.00 H new ATOM 0 HA LYS A 77 3.144 6.590 8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.588 7.453 6.683 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.606 6.115 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.161 5.002 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.083 6.318 8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.320 5.807 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.242 4.492 6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.748 3.375 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.816 4.695 8.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.047 2.828 8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.202 4.169 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.167 2.890 6.657 1.00 0.00 H new ATOM 558 N PHE A 78 4.085 7.521 5.910 1.00 0.00 N0 ATOM 559 CA PHE A 78 4.659 8.119 4.710 1.00 0.00 C0 ATOM 560 C PHE A 78 5.587 9.274 5.061 1.00 0.00 C0 ATOM 561 O PHE A 78 5.684 10.252 4.321 1.00 0.00 O0 ATOM 562 CB PHE A 78 3.551 8.615 3.779 1.00 0.00 C0 ATOM 563 CG PHE A 78 2.483 7.592 3.509 1.00 0.00 C0 ATOM 564 CD1 PHE A 78 1.147 7.888 3.732 1.00 0.00 C0 ATOM 565 CD2 PHE A 78 2.812 6.333 3.031 1.00 0.00 C0 ATOM 566 CE1 PHE A 78 0.164 6.949 3.485 1.00 0.00 C0 ATOM 567 CE2 PHE A 78 1.832 5.392 2.782 1.00 0.00 C0 ATOM 568 CZ PHE A 78 0.507 5.701 3.010 1.00 0.00 C0 ATOM 0 H PHE A 78 4.396 6.568 6.095 1.00 0.00 H new ATOM 0 HA PHE A 78 5.240 7.350 4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.091 9.501 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.995 8.922 2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.871 8.864 4.103 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.848 6.085 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.873 7.193 3.664 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.103 4.415 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 78 -0.261 4.966 2.817 1.00 0.00 H new ATOM 578 N LEU A 79 6.271 9.154 6.195 1.00 0.00 N0 ATOM 579 CA LEU A 79 7.230 10.165 6.623 1.00 0.00 C0 ATOM 580 C LEU A 79 8.589 9.945 5.972 1.00 0.00 C0 ATOM 581 O LEU A 79 9.064 8.814 5.870 1.00 0.00 O0 ATOM 582 CB LEU A 79 7.376 10.145 8.149 1.00 0.00 C0 ATOM 583 CG LEU A 79 6.106 10.473 8.943 1.00 0.00 C0 ATOM 584 CD1 LEU A 79 6.386 10.329 10.433 1.00 0.00 C0 ATOM 585 CD2 LEU A 79 5.647 11.885 8.608 1.00 0.00 C0 ATOM 0 H LEU A 79 6.178 8.365 6.835 1.00 0.00 H new ATOM 0 HA LEU A 79 6.853 11.138 6.309 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.725 9.157 8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.152 10.856 8.431 1.00 0.00 H new ATOM 0 HG LEU A 79 5.310 9.779 8.674 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.483 10.562 10.997 1.00 0.00 H new ATOM 0 HD12 LEU A 79 6.694 9.306 10.648 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.182 11.016 10.722 1.00 0.00 H new ATOM 0 HD21 LEU A 79 4.744 12.118 9.173 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.432 12.595 8.870 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.436 11.955 7.541 1.00 0.00 H new ATOM 597 N PRO A 80 9.213 11.034 5.534 1.00 0.00 N0 ATOM 598 CA PRO A 80 10.559 10.974 4.977 1.00 0.00 C0 ATOM 599 C PRO A 80 11.594 10.719 6.063 1.00 0.00 C0 ATOM 600 O PRO A 80 11.409 11.115 7.215 1.00 0.00 O0 ATOM 601 CB PRO A 80 10.732 12.357 4.342 1.00 0.00 C0 ATOM 602 CG PRO A 80 9.882 13.252 5.180 1.00 0.00 C0 ATOM 603 CD PRO A 80 8.679 12.414 5.522 1.00 0.00 C0 ATOM 0 HA PRO A 80 10.695 10.161 4.264 1.00 0.00 H new ATOM 0 HB2 PRO A 80 11.775 12.673 4.353 1.00 0.00 H new ATOM 0 HB3 PRO A 80 10.409 12.361 3.301 1.00 0.00 H new ATOM 0 HG2 PRO A 80 10.409 13.575 6.078 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.597 14.153 4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.259 12.690 6.489 1.00 0.00 H new ATOM 0 HD3 PRO A 80 7.885 12.531 4.784 1.00 0.00 H new ATOM 611 N PRO A 81 12.687 10.058 5.693 1.00 0.00 N0 ATOM 612 CA PRO A 81 13.767 9.777 6.628 1.00 0.00 C0 ATOM 613 C PRO A 81 14.309 11.060 7.245 1.00 0.00 C0 ATOM 614 O PRO A 81 14.366 12.100 6.588 1.00 0.00 O0 ATOM 615 CB PRO A 81 14.814 9.087 5.747 1.00 0.00 C0 ATOM 616 CG PRO A 81 14.020 8.483 4.639 1.00 0.00 C0 ATOM 617 CD PRO A 81 12.938 9.492 4.363 1.00 0.00 C0 ATOM 0 HA PRO A 81 13.457 9.166 7.476 1.00 0.00 H new ATOM 0 HB2 PRO A 81 15.548 9.799 5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 81 15.364 8.327 6.303 1.00 0.00 H new ATOM 0 HG2 PRO A 81 14.636 8.309 3.757 1.00 0.00 H new ATOM 0 HG3 PRO A 81 13.601 7.520 4.929 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.263 10.252 3.653 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.046 9.026 3.945 1.00 0.00 H new ATOM 625 N GLY A 82 14.706 10.980 8.511 1.00 0.00 N0 ATOM 626 CA GLY A 82 15.253 12.132 9.216 1.00 0.00 C0 ATOM 627 C GLY A 82 14.917 12.079 10.701 1.00 0.00 C0 ATOM 628 O GLY A 82 14.388 11.082 11.192 1.00 0.00 O0 ATOM 0 H GLY A 82 14.659 10.128 9.070 1.00 0.00 H new ATOM 0 HA2 GLY A 82 16.335 12.161 9.086 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.855 13.050 8.783 1.00 0.00 H new ATOM 632 N SER A 83 15.227 13.158 11.411 1.00 0.00 N0 ATOM 633 CA SER A 83 14.967 13.232 12.844 1.00 0.00 C0 ATOM 634 C SER A 83 13.630 13.905 13.128 1.00 0.00 C0 ATOM 635 O SER A 83 13.305 14.936 12.538 1.00 0.00 O0 ATOM 636 CB SER A 83 16.082 13.992 13.539 1.00 0.00 C0 ATOM 637 OG SER A 83 15.793 14.176 14.897 1.00 0.00 O0 ATOM 0 H SER A 83 15.659 13.994 11.017 1.00 0.00 H new ATOM 0 HA SER A 83 14.927 12.214 13.230 1.00 0.00 H new ATOM 0 HB2 SER A 83 17.020 13.446 13.434 1.00 0.00 H new ATOM 0 HB3 SER A 83 16.221 14.960 13.059 1.00 0.00 H new ATOM 0 HG SER A 83 16.526 14.666 15.324 1.00 0.00 H new ATOM 643 N TYR A 84 12.856 13.315 14.033 1.00 0.00 N0 ATOM 644 CA TYR A 84 11.551 13.855 14.394 1.00 0.00 C0 ATOM 645 C TYR A 84 11.439 14.065 15.898 1.00 0.00 C0 ATOM 646 O TYR A 84 12.073 13.360 16.682 1.00 0.00 O0 ATOM 647 CB TYR A 84 10.436 12.930 13.903 1.00 0.00 C0 ATOM 648 CG TYR A 84 10.266 12.923 12.399 1.00 0.00 C0 ATOM 649 CD1 TYR A 84 11.136 12.190 11.607 1.00 0.00 C0 ATOM 650 CD2 TYR A 84 9.241 13.652 11.813 1.00 0.00 C0 ATOM 651 CE1 TYR A 84 10.981 12.184 10.233 1.00 0.00 C0 ATOM 652 CE2 TYR A 84 9.086 13.646 10.441 1.00 0.00 C0 ATOM 653 CZ TYR A 84 9.952 12.915 9.653 1.00 0.00 C0 ATOM 654 OH TYR A 84 9.797 12.909 8.286 1.00 0.00 O0 ATOM 0 H TYR A 84 13.111 12.462 14.530 1.00 0.00 H new ATOM 0 HA TYR A 84 11.444 14.825 13.908 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.644 11.915 14.240 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.496 13.233 14.364 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.935 11.624 12.063 1.00 0.00 H new ATOM 0 HD2 TYR A 84 8.564 14.224 12.430 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.657 11.613 9.613 1.00 0.00 H new ATOM 0 HE2 TYR A 84 8.288 14.213 9.985 1.00 0.00 H new ATOM 0 HH TYR A 84 10.479 12.333 7.882 1.00 0.00 H new ATOM 664 N THR A 85 10.627 15.039 16.296 1.00 0.00 N0 ATOM 665 CA THR A 85 10.332 15.263 17.706 1.00 0.00 C0 ATOM 666 C THR A 85 9.042 14.566 18.116 1.00 0.00 C0 ATOM 667 O THR A 85 7.970 14.860 17.586 1.00 0.00 O0 ATOM 668 CB THR A 85 10.228 16.767 18.019 1.00 0.00 C0 ATOM 669 OG1 THR A 85 11.479 17.406 17.728 1.00 0.00 O0 ATOM 670 CG2 THR A 85 9.880 16.986 19.483 1.00 0.00 C0 ATOM 0 H THR A 85 10.161 15.687 15.660 1.00 0.00 H new ATOM 0 HA THR A 85 11.157 14.840 18.279 1.00 0.00 H new ATOM 0 HB THR A 85 9.439 17.197 17.401 1.00 0.00 H new ATOM 0 HG1 THR A 85 11.411 18.363 17.926 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.811 18.055 19.685 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.924 16.512 19.704 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.656 16.548 20.111 1.00 0.00 H new ATOM 678 N ALA A 86 9.150 13.639 19.062 1.00 0.00 N0 ATOM 679 CA ALA A 86 7.990 12.907 19.556 1.00 0.00 C0 ATOM 680 C ALA A 86 7.628 13.338 20.971 1.00 0.00 C0 ATOM 681 O ALA A 86 8.198 12.846 21.945 1.00 0.00 O0 ATOM 682 CB ALA A 86 8.248 11.409 19.509 1.00 0.00 C0 ATOM 0 H ALA A 86 10.032 13.377 19.503 1.00 0.00 H new ATOM 0 HA ALA A 86 7.146 13.139 18.907 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.372 10.877 19.881 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.447 11.106 18.481 1.00 0.00 H new ATOM 0 HB3 ALA A 86 9.110 11.169 20.131 1.00 0.00 H new ATOM 688 N GLN A 87 6.679 14.260 21.080 1.00 0.00 N0 ATOM 689 CA GLN A 87 6.259 14.781 22.375 1.00 0.00 C0 ATOM 690 C GLN A 87 5.041 14.032 22.902 1.00 0.00 C0 ATOM 691 O GLN A 87 4.053 13.855 22.188 1.00 0.00 O0 ATOM 692 CB GLN A 87 5.951 16.277 22.278 1.00 0.00 C0 ATOM 693 CG GLN A 87 5.523 16.910 23.592 1.00 0.00 C0 ATOM 694 CD GLN A 87 5.225 18.392 23.449 1.00 0.00 C0 ATOM 695 OE1 GLN A 87 5.634 19.031 22.475 1.00 0.00 O0 ATOM 696 NE2 GLN A 87 4.512 18.946 24.422 1.00 0.00 N0 ATOM 0 H GLN A 87 6.184 14.663 20.284 1.00 0.00 H new ATOM 0 HA GLN A 87 7.082 14.633 23.075 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.836 16.796 21.909 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.162 16.427 21.541 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.637 16.398 23.967 1.00 0.00 H new ATOM 0 HG3 GLN A 87 6.310 16.770 24.333 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.195 18.379 25.208 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.281 19.939 24.383 1.00 0.00 H new ATOM 705 N VAL A 88 5.117 13.595 24.153 1.00 0.00 N0 ATOM 706 CA VAL A 88 3.944 13.095 24.863 1.00 0.00 C0 ATOM 707 C VAL A 88 3.778 13.787 26.210 1.00 0.00 C0 ATOM 708 O VAL A 88 4.653 13.710 27.071 1.00 0.00 O0 ATOM 709 CB VAL A 88 4.062 11.575 25.083 1.00 0.00 C0 ATOM 710 CG1 VAL A 88 2.892 11.065 25.910 1.00 0.00 C0 ATOM 711 CG2 VAL A 88 4.125 10.862 23.740 1.00 0.00 C0 ATOM 0 H VAL A 88 5.979 13.576 24.698 1.00 0.00 H new ATOM 0 HA VAL A 88 3.069 13.310 24.250 1.00 0.00 H new ATOM 0 HB VAL A 88 4.980 11.366 25.632 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.991 9.989 26.056 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.887 11.564 26.879 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.958 11.276 25.388 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.208 9.787 23.902 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.219 11.074 23.173 1.00 0.00 H new ATOM 0 HG23 VAL A 88 4.993 11.213 23.182 1.00 0.00 H new ATOM 721 N GLY A 89 2.649 14.467 26.384 1.00 0.00 N0 ATOM 722 CA GLY A 89 2.383 15.207 27.610 1.00 0.00 C0 ATOM 723 C GLY A 89 3.335 16.388 27.759 1.00 0.00 C0 ATOM 724 O GLY A 89 3.245 17.367 27.018 1.00 0.00 O0 ATOM 0 H GLY A 89 1.904 14.520 25.690 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.353 15.565 27.606 1.00 0.00 H new ATOM 0 HA3 GLY A 89 2.486 14.543 28.468 1.00 0.00 H new ATOM 728 N GLN A 90 4.246 16.288 28.721 1.00 0.00 N0 ATOM 729 CA GLN A 90 5.155 17.386 29.032 1.00 0.00 C0 ATOM 730 C GLN A 90 6.574 17.072 28.575 1.00 0.00 C0 ATOM 731 O GLN A 90 7.447 17.939 28.592 1.00 0.00 O0 ATOM 732 CB GLN A 90 5.141 17.684 30.533 1.00 0.00 C0 ATOM 733 CG GLN A 90 3.785 18.111 31.070 1.00 0.00 C0 ATOM 734 CD GLN A 90 3.297 19.405 30.448 1.00 0.00 C0 ATOM 735 OE1 GLN A 90 4.014 20.408 30.424 1.00 0.00 O0 ATOM 736 NE2 GLN A 90 2.071 19.389 29.938 1.00 0.00 N0 ATOM 0 H GLN A 90 4.375 15.458 29.299 1.00 0.00 H new ATOM 0 HA GLN A 90 4.810 18.268 28.492 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.469 16.795 31.072 1.00 0.00 H new ATOM 0 HB3 GLN A 90 5.866 18.470 30.743 1.00 0.00 H new ATOM 0 HG2 GLN A 90 3.057 17.322 30.879 1.00 0.00 H new ATOM 0 HG3 GLN A 90 3.847 18.232 32.151 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.512 18.537 29.980 1.00 0.00 H new ATOM 0 HE22 GLN A 90 1.688 20.229 29.505 1.00 0.00 H new ATOM 745 N GLN A 91 6.798 15.826 28.170 1.00 0.00 N0 ATOM 746 CA GLN A 91 8.129 15.375 27.782 1.00 0.00 C0 ATOM 747 C GLN A 91 8.188 15.046 26.295 1.00 0.00 C0 ATOM 748 O GLN A 91 7.158 14.820 25.660 1.00 0.00 O0 ATOM 749 CB GLN A 91 8.541 14.153 28.605 1.00 0.00 C0 ATOM 750 CG GLN A 91 8.596 14.399 30.103 1.00 0.00 C0 ATOM 751 CD GLN A 91 9.680 15.388 30.487 1.00 0.00 C0 ATOM 752 OE1 GLN A 91 10.842 15.241 30.096 1.00 0.00 O0 ATOM 753 NE2 GLN A 91 9.307 16.405 31.256 1.00 0.00 N0 ATOM 0 H GLN A 91 6.074 15.111 28.102 1.00 0.00 H new ATOM 0 HA GLN A 91 8.827 16.189 27.980 1.00 0.00 H new ATOM 0 HB2 GLN A 91 7.839 13.343 28.407 1.00 0.00 H new ATOM 0 HB3 GLN A 91 9.521 13.816 28.268 1.00 0.00 H new ATOM 0 HG2 GLN A 91 7.630 14.773 30.443 1.00 0.00 H new ATOM 0 HG3 GLN A 91 8.771 13.454 30.617 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.336 16.488 31.556 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.992 17.103 31.546 1.00 0.00 H new ATOM 762 N SER A 92 9.397 15.021 25.747 1.00 0.00 N0 ATOM 763 CA SER A 92 9.592 14.719 24.335 1.00 0.00 C0 ATOM 764 C SER A 92 10.911 13.994 24.103 1.00 0.00 C0 ATOM 765 O SER A 92 11.886 14.215 24.821 1.00 0.00 O0 ATOM 766 CB SER A 92 9.557 15.997 23.520 1.00 0.00 C0 ATOM 767 OG SER A 92 10.650 16.820 23.827 1.00 0.00 O0 ATOM 0 H SER A 92 10.258 15.207 26.261 1.00 0.00 H new ATOM 0 HA SER A 92 8.782 14.063 24.016 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.567 15.755 22.457 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.628 16.532 23.716 1.00 0.00 H new ATOM 0 HG SER A 92 10.606 17.637 23.288 1.00 0.00 H new ATOM 773 N LEU A 93 10.936 13.128 23.094 1.00 0.00 N0 ATOM 774 CA LEU A 93 12.152 12.417 22.726 1.00 0.00 C0 ATOM 775 C LEU A 93 12.355 12.416 21.216 1.00 0.00 C0 ATOM 776 O LEU A 93 11.390 12.447 20.450 1.00 0.00 O0 ATOM 777 CB LEU A 93 12.100 10.973 23.241 1.00 0.00 C0 ATOM 778 CG LEU A 93 12.129 10.809 24.766 1.00 0.00 C0 ATOM 779 CD1 LEU A 93 11.821 9.363 25.128 1.00 0.00 C0 ATOM 780 CD2 LEU A 93 13.494 11.226 25.294 1.00 0.00 C0 ATOM 0 H LEU A 93 10.126 12.903 22.517 1.00 0.00 H new ATOM 0 HA LEU A 93 12.993 12.936 23.186 1.00 0.00 H new ATOM 0 HB2 LEU A 93 11.193 10.504 22.861 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.943 10.426 22.819 1.00 0.00 H new ATOM 0 HG LEU A 93 11.373 11.446 25.224 1.00 0.00 H new ATOM 0 HD11 LEU A 93 11.842 9.247 26.212 1.00 0.00 H new ATOM 0 HD12 LEU A 93 10.833 9.097 24.753 1.00 0.00 H new ATOM 0 HD13 LEU A 93 12.568 8.708 24.679 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.516 11.110 26.378 1.00 0.00 H new ATOM 0 HD22 LEU A 93 14.265 10.598 24.846 1.00 0.00 H new ATOM 0 HD23 LEU A 93 13.681 12.269 25.037 1.00 0.00 H new ATOM 792 N PRO A 94 13.614 12.382 20.792 1.00 0.00 N0 ATOM 793 CA PRO A 94 13.944 12.396 19.372 1.00 0.00 C0 ATOM 794 C PRO A 94 13.666 11.042 18.730 1.00 0.00 C0 ATOM 795 O PRO A 94 13.817 9.998 19.367 1.00 0.00 O0 ATOM 796 CB PRO A 94 15.440 12.724 19.370 1.00 0.00 C0 ATOM 797 CG PRO A 94 15.940 12.165 20.658 1.00 0.00 C0 ATOM 798 CD PRO A 94 14.825 12.424 21.635 1.00 0.00 C0 ATOM 0 HA PRO A 94 13.352 13.109 18.797 1.00 0.00 H new ATOM 0 HB2 PRO A 94 15.946 12.272 18.517 1.00 0.00 H new ATOM 0 HB3 PRO A 94 15.612 13.799 19.309 1.00 0.00 H new ATOM 0 HG2 PRO A 94 16.154 11.100 20.573 1.00 0.00 H new ATOM 0 HG3 PRO A 94 16.864 12.652 20.971 1.00 0.00 H new ATOM 0 HD2 PRO A 94 14.795 11.668 22.420 1.00 0.00 H new ATOM 0 HD3 PRO A 94 14.938 13.390 22.127 1.00 0.00 H new ATOM 806 N VAL A 95 13.259 11.065 17.465 1.00 0.00 N0 ATOM 807 CA VAL A 95 13.009 9.839 16.718 1.00 0.00 C0 ATOM 808 C VAL A 95 13.819 9.805 15.429 1.00 0.00 C0 ATOM 809 O VAL A 95 13.761 10.733 14.622 1.00 0.00 O0 ATOM 810 CB VAL A 95 11.512 9.713 16.383 1.00 0.00 C0 ATOM 811 CG1 VAL A 95 11.257 8.469 15.542 1.00 0.00 C0 ATOM 812 CG2 VAL A 95 10.696 9.672 17.666 1.00 0.00 C0 ATOM 0 H VAL A 95 13.095 11.921 16.935 1.00 0.00 H new ATOM 0 HA VAL A 95 13.315 9.001 17.345 1.00 0.00 H new ATOM 0 HB VAL A 95 11.205 10.583 15.802 1.00 0.00 H new ATOM 0 HG11 VAL A 95 10.194 8.395 15.314 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.823 8.535 14.613 1.00 0.00 H new ATOM 0 HG13 VAL A 95 11.571 7.585 16.096 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.638 9.583 17.421 1.00 0.00 H new ATOM 0 HG22 VAL A 95 11.003 8.815 18.265 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.862 10.589 18.232 1.00 0.00 H new ATOM 822 N LYS A 96 14.578 8.729 15.239 1.00 0.00 N0 ATOM 823 CA LYS A 96 15.320 8.524 14.001 1.00 0.00 C0 ATOM 824 C LYS A 96 14.580 7.573 13.068 1.00 0.00 C0 ATOM 825 O LYS A 96 14.451 6.383 13.352 1.00 0.00 O0 ATOM 826 CB LYS A 96 16.719 7.983 14.300 1.00 0.00 C0 ATOM 827 CG LYS A 96 17.590 7.776 13.068 1.00 0.00 C0 ATOM 828 CD LYS A 96 18.987 7.311 13.449 1.00 0.00 C0 ATOM 829 CE LYS A 96 19.890 7.211 12.229 1.00 0.00 C0 ATOM 830 NZ LYS A 96 19.488 6.097 11.328 1.00 0.00 N0 ATOM 0 H LYS A 96 14.695 7.986 15.928 1.00 0.00 H new ATOM 0 HA LYS A 96 15.412 9.489 13.502 1.00 0.00 H new ATOM 0 HB2 LYS A 96 17.225 8.672 14.976 1.00 0.00 H new ATOM 0 HB3 LYS A 96 16.623 7.033 14.826 1.00 0.00 H new ATOM 0 HG2 LYS A 96 17.126 7.040 12.412 1.00 0.00 H new ATOM 0 HG3 LYS A 96 17.655 8.708 12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 96 19.420 8.006 14.168 1.00 0.00 H new ATOM 0 HD3 LYS A 96 18.928 6.340 13.940 1.00 0.00 H new ATOM 0 HE2 LYS A 96 19.861 8.151 11.678 1.00 0.00 H new ATOM 0 HE3 LYS A 96 20.920 7.062 12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 20.236 5.932 10.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 19.343 5.233 11.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 18.604 6.346 10.841 1.00 0.00 H new ATOM 844 N LEU A 97 14.096 8.108 11.951 1.00 0.00 N0 ATOM 845 CA LEU A 97 13.383 7.306 10.965 1.00 0.00 C0 ATOM 846 C LEU A 97 14.238 7.064 9.728 1.00 0.00 C0 ATOM 847 O LEU A 97 14.883 7.982 9.220 1.00 0.00 O0 ATOM 848 CB LEU A 97 12.075 7.999 10.563 1.00 0.00 C0 ATOM 849 CG LEU A 97 11.041 8.169 11.682 1.00 0.00 C0 ATOM 850 CD1 LEU A 97 9.785 8.823 11.120 1.00 0.00 C0 ATOM 851 CD2 LEU A 97 10.722 6.812 12.292 1.00 0.00 C0 ATOM 0 H LEU A 97 14.185 9.094 11.707 1.00 0.00 H new ATOM 0 HA LEU A 97 13.157 6.342 11.420 1.00 0.00 H new ATOM 0 HB2 LEU A 97 12.315 8.984 10.163 1.00 0.00 H new ATOM 0 HB3 LEU A 97 11.617 7.429 9.754 1.00 0.00 H new ATOM 0 HG LEU A 97 11.444 8.812 12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.050 8.944 11.916 1.00 0.00 H new ATOM 0 HD12 LEU A 97 10.037 9.800 10.708 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.368 8.194 10.334 1.00 0.00 H new ATOM 0 HD21 LEU A 97 9.987 6.934 13.087 1.00 0.00 H new ATOM 0 HD22 LEU A 97 10.318 6.153 11.523 1.00 0.00 H new ATOM 0 HD23 LEU A 97 11.632 6.375 12.703 1.00 0.00 H new ATOM 863 N ASP A 98 14.240 5.826 9.247 1.00 0.00 N0 ATOM 864 CA ASP A 98 15.054 5.451 8.096 1.00 0.00 C0 ATOM 865 C ASP A 98 14.181 5.080 6.904 1.00 0.00 C0 ATOM 866 O ASP A 98 12.992 4.801 7.055 1.00 0.00 O0 ATOM 867 CB ASP A 98 15.973 4.280 8.448 1.00 0.00 C0 ATOM 868 CG ASP A 98 17.011 4.639 9.504 1.00 0.00 C0 ATOM 869 OD1 ASP A 98 17.291 5.803 9.664 1.00 0.00 O0 ATOM 870 OD2 ASP A 98 17.514 3.743 10.142 1.00 0.00 O0 ATOM 0 H ASP A 98 13.686 5.063 9.637 1.00 0.00 H new ATOM 0 HA ASP A 98 15.662 6.314 7.824 1.00 0.00 H new ATOM 0 HB2 ASP A 98 15.370 3.446 8.807 1.00 0.00 H new ATOM 0 HB3 ASP A 98 16.482 3.940 7.546 1.00 0.00 H new ATOM 875 N PRO A 99 14.778 5.077 5.718 1.00 0.00 N0 ATOM 876 CA PRO A 99 14.082 4.653 4.509 1.00 0.00 C0 ATOM 877 C PRO A 99 13.436 3.287 4.696 1.00 0.00 C0 ATOM 878 O PRO A 99 14.109 2.312 5.029 1.00 0.00 O0 ATOM 879 CB PRO A 99 15.201 4.611 3.463 1.00 0.00 C0 ATOM 880 CG PRO A 99 16.183 5.627 3.936 1.00 0.00 C0 ATOM 881 CD PRO A 99 16.181 5.480 5.435 1.00 0.00 C0 ATOM 0 HA PRO A 99 13.263 5.315 4.227 1.00 0.00 H new ATOM 0 HB2 PRO A 99 15.651 3.620 3.402 1.00 0.00 H new ATOM 0 HB3 PRO A 99 14.826 4.853 2.469 1.00 0.00 H new ATOM 0 HG2 PRO A 99 17.174 5.445 3.520 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.890 6.633 3.635 1.00 0.00 H new ATOM 0 HD2 PRO A 99 16.895 4.727 5.770 1.00 0.00 H new ATOM 0 HD3 PRO A 99 16.444 6.413 5.934 1.00 0.00 H new ATOM 889 N ASP A 100 12.126 3.223 4.481 1.00 0.00 N0 ATOM 890 CA ASP A 100 11.386 1.975 4.625 1.00 0.00 C0 ATOM 891 C ASP A 100 11.580 1.378 6.014 1.00 0.00 C0 ATOM 892 O ASP A 100 12.150 0.297 6.161 1.00 0.00 O0 ATOM 893 CB ASP A 100 11.825 0.964 3.562 1.00 0.00 C0 ATOM 894 CG ASP A 100 11.611 1.468 2.142 1.00 0.00 C0 ATOM 895 OD1 ASP A 100 10.722 2.261 1.941 1.00 0.00 O0 ATOM 896 OD2 ASP A 100 12.338 1.055 1.271 1.00 0.00 O0 ATOM 0 H ASP A 100 11.555 4.022 4.206 1.00 0.00 H new ATOM 0 HA ASP A 100 10.328 2.200 4.489 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.880 0.730 3.704 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.271 0.035 3.700 1.00 0.00 H new ATOM 901 N SER A 101 11.100 2.087 7.030 1.00 0.00 N0 ATOM 902 CA SER A 101 11.259 1.651 8.411 1.00 0.00 C0 ATOM 903 C SER A 101 10.003 1.932 9.226 1.00 0.00 C0 ATOM 904 O SER A 101 9.202 2.795 8.870 1.00 0.00 O0 ATOM 905 CB SER A 101 12.450 2.344 9.045 1.00 0.00 C0 ATOM 906 OG SER A 101 12.186 3.705 9.253 1.00 0.00 O0 ATOM 0 H SER A 101 10.597 2.968 6.922 1.00 0.00 H new ATOM 0 HA SER A 101 11.429 0.574 8.405 1.00 0.00 H new ATOM 0 HB2 SER A 101 12.690 1.867 9.995 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.324 2.233 8.403 1.00 0.00 H new ATOM 0 HG SER A 101 12.201 4.176 8.394 1.00 0.00 H new ATOM 912 N TYR A 102 9.838 1.198 10.320 1.00 0.00 N0 ATOM 913 CA TYR A 102 8.680 1.370 11.190 1.00 0.00 C0 ATOM 914 C TYR A 102 9.102 1.790 12.592 1.00 0.00 C0 ATOM 915 O TYR A 102 10.257 1.616 12.981 1.00 0.00 O0 ATOM 916 CB TYR A 102 7.856 0.082 11.248 1.00 0.00 C0 ATOM 917 CG TYR A 102 7.187 -0.273 9.939 1.00 0.00 C0 ATOM 918 CD1 TYR A 102 7.915 -0.885 8.930 1.00 0.00 C0 ATOM 919 CD2 TYR A 102 5.844 0.014 9.747 1.00 0.00 C0 ATOM 920 CE1 TYR A 102 7.304 -1.209 7.734 1.00 0.00 C0 ATOM 921 CE2 TYR A 102 5.231 -0.311 8.553 1.00 0.00 C0 ATOM 922 CZ TYR A 102 5.957 -0.918 7.549 1.00 0.00 C0 ATOM 923 OH TYR A 102 5.347 -1.242 6.358 1.00 0.00 O0 ATOM 0 H TYR A 102 10.492 0.477 10.626 1.00 0.00 H new ATOM 0 HA TYR A 102 8.062 2.164 10.770 1.00 0.00 H new ATOM 0 HB2 TYR A 102 8.505 -0.740 11.549 1.00 0.00 H new ATOM 0 HB3 TYR A 102 7.093 0.184 12.020 1.00 0.00 H new ATOM 0 HD1 TYR A 102 8.961 -1.109 9.079 1.00 0.00 H new ATOM 0 HD2 TYR A 102 5.277 0.492 10.532 1.00 0.00 H new ATOM 0 HE1 TYR A 102 7.870 -1.686 6.947 1.00 0.00 H new ATOM 0 HE2 TYR A 102 4.184 -0.090 8.405 1.00 0.00 H new ATOM 0 HH TYR A 102 4.405 -0.974 6.389 1.00 0.00 H new ATOM 933 N TYR A 103 8.160 2.343 13.348 1.00 0.00 N0 ATOM 934 CA TYR A 103 8.454 2.873 14.675 1.00 0.00 C0 ATOM 935 C TYR A 103 7.199 2.934 15.535 1.00 0.00 C0 ATOM 936 O TYR A 103 6.093 3.110 15.024 1.00 0.00 O0 ATOM 937 CB TYR A 103 9.091 4.261 14.566 1.00 0.00 C0 ATOM 938 CG TYR A 103 10.124 4.544 15.635 1.00 0.00 C0 ATOM 939 CD1 TYR A 103 11.449 4.194 15.427 1.00 0.00 C0 ATOM 940 CD2 TYR A 103 9.744 5.152 16.822 1.00 0.00 C0 ATOM 941 CE1 TYR A 103 12.393 4.451 16.403 1.00 0.00 C0 ATOM 942 CE2 TYR A 103 10.688 5.410 17.798 1.00 0.00 C0 ATOM 943 CZ TYR A 103 12.007 5.062 17.591 1.00 0.00 C0 ATOM 944 OH TYR A 103 12.947 5.319 18.564 1.00 0.00 O0 ATOM 0 H TYR A 103 7.185 2.436 13.064 1.00 0.00 H new ATOM 0 HA TYR A 103 9.160 2.197 15.157 1.00 0.00 H new ATOM 0 HB2 TYR A 103 9.559 4.360 13.586 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.307 5.016 14.623 1.00 0.00 H new ATOM 0 HD1 TYR A 103 11.744 3.720 14.502 1.00 0.00 H new ATOM 0 HD2 TYR A 103 8.711 5.424 16.984 1.00 0.00 H new ATOM 0 HE1 TYR A 103 13.426 4.179 16.244 1.00 0.00 H new ATOM 0 HE2 TYR A 103 10.393 5.884 18.723 1.00 0.00 H new ATOM 0 HH TYR A 103 12.982 6.283 18.738 1.00 0.00 H new ATOM 954 N THR A 104 7.376 2.789 16.843 1.00 0.00 N0 ATOM 955 CA THR A 104 6.259 2.844 17.779 1.00 0.00 C0 ATOM 956 C THR A 104 6.523 3.847 18.893 1.00 0.00 C0 ATOM 957 O THR A 104 7.612 3.882 19.466 1.00 0.00 O0 ATOM 958 CB THR A 104 5.977 1.457 18.387 1.00 0.00 C0 ATOM 959 OG1 THR A 104 5.615 0.541 17.345 1.00 0.00 O0 ATOM 960 CG2 THR A 104 4.847 1.540 19.401 1.00 0.00 C0 ATOM 0 H THR A 104 8.284 2.632 17.280 1.00 0.00 H new ATOM 0 HA THR A 104 5.383 3.167 17.217 1.00 0.00 H new ATOM 0 HB THR A 104 6.878 1.107 18.891 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.170 -0.264 17.410 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.661 0.551 19.820 1.00 0.00 H new ATOM 0 HG22 THR A 104 5.125 2.227 20.200 1.00 0.00 H new ATOM 0 HG23 THR A 104 3.943 1.901 18.910 1.00 0.00 H new ATOM 968 N LEU A 105 5.520 4.664 19.198 1.00 0.00 N0 ATOM 969 CA LEU A 105 5.622 5.631 20.284 1.00 0.00 C0 ATOM 970 C LEU A 105 4.621 5.322 21.391 1.00 0.00 C0 ATOM 971 O LEU A 105 3.412 5.453 21.203 1.00 0.00 O0 ATOM 972 CB LEU A 105 5.385 7.051 19.755 1.00 0.00 C0 ATOM 973 CG LEU A 105 5.388 8.164 20.811 1.00 0.00 C0 ATOM 974 CD1 LEU A 105 6.770 8.263 21.441 1.00 0.00 C0 ATOM 975 CD2 LEU A 105 4.986 9.479 20.161 1.00 0.00 C0 ATOM 0 H LEU A 105 4.626 4.675 18.707 1.00 0.00 H new ATOM 0 HA LEU A 105 6.628 5.563 20.699 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.153 7.276 19.015 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.427 7.070 19.236 1.00 0.00 H new ATOM 0 HG LEU A 105 4.669 7.935 21.597 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.772 9.054 22.191 1.00 0.00 H new ATOM 0 HD12 LEU A 105 7.023 7.314 21.913 1.00 0.00 H new ATOM 0 HD13 LEU A 105 7.506 8.492 20.670 1.00 0.00 H new ATOM 0 HD21 LEU A 105 4.988 10.271 20.910 1.00 0.00 H new ATOM 0 HD22 LEU A 105 5.695 9.726 19.371 1.00 0.00 H new ATOM 0 HD23 LEU A 105 3.987 9.384 19.736 1.00 0.00 H new ATOM 987 N VAL A 106 5.134 4.910 22.547 1.00 0.00 N0 ATOM 988 CA VAL A 106 4.285 4.494 23.657 1.00 0.00 C0 ATOM 989 C VAL A 106 4.213 5.575 24.728 1.00 0.00 C0 ATOM 990 O VAL A 106 5.238 6.012 25.252 1.00 0.00 O0 ATOM 991 CB VAL A 106 4.818 3.191 24.279 1.00 0.00 C0 ATOM 992 CG1 VAL A 106 3.969 2.785 25.474 1.00 0.00 C0 ATOM 993 CG2 VAL A 106 4.841 2.088 23.232 1.00 0.00 C0 ATOM 0 H VAL A 106 6.134 4.856 22.739 1.00 0.00 H new ATOM 0 HA VAL A 106 3.283 4.325 23.264 1.00 0.00 H new ATOM 0 HB VAL A 106 5.836 3.358 24.630 1.00 0.00 H new ATOM 0 HG11 VAL A 106 4.360 1.862 25.901 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.998 3.574 26.226 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.939 2.628 25.152 1.00 0.00 H new ATOM 0 HG21 VAL A 106 5.219 1.169 23.680 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.831 1.920 22.858 1.00 0.00 H new ATOM 0 HG23 VAL A 106 5.489 2.383 22.407 1.00 0.00 H new ATOM 1003 N SER A 107 2.997 6.001 25.051 1.00 0.00 N0 ATOM 1004 CA SER A 107 2.789 7.039 26.053 1.00 0.00 C0 ATOM 1005 C SER A 107 2.756 6.451 27.458 1.00 0.00 C0 ATOM 1006 O SER A 107 2.006 5.514 27.730 1.00 0.00 O0 ATOM 1007 CB SER A 107 1.498 7.783 25.777 1.00 0.00 C0 ATOM 1008 OG SER A 107 1.545 8.425 24.531 1.00 0.00 O0 ATOM 0 H SER A 107 2.139 5.642 24.632 1.00 0.00 H new ATOM 0 HA SER A 107 3.626 7.734 25.993 1.00 0.00 H new ATOM 0 HB2 SER A 107 0.660 7.086 25.800 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.322 8.518 26.563 1.00 0.00 H new ATOM 0 HG SER A 107 0.701 8.897 24.374 1.00 0.00 H new ATOM 1014 N GLN A 108 3.572 7.007 28.347 1.00 0.00 N0 ATOM 1015 CA GLN A 108 3.637 6.537 29.726 1.00 0.00 C0 ATOM 1016 C GLN A 108 2.795 7.413 30.645 1.00 0.00 C0 ATOM 1017 O GLN A 108 2.646 8.612 30.410 1.00 0.00 O0 ATOM 1018 CB GLN A 108 5.086 6.507 30.215 1.00 0.00 C0 ATOM 1019 CG GLN A 108 5.991 5.577 29.424 1.00 0.00 C0 ATOM 1020 CD GLN A 108 7.415 5.573 29.946 1.00 0.00 C0 ATOM 1021 OE1 GLN A 108 7.823 6.473 30.685 1.00 0.00 O0 ATOM 1022 NE2 GLN A 108 8.182 4.559 29.562 1.00 0.00 N0 ATOM 0 H GLN A 108 4.198 7.784 28.137 1.00 0.00 H new ATOM 0 HA GLN A 108 3.233 5.525 29.752 1.00 0.00 H new ATOM 0 HB2 GLN A 108 5.494 7.517 30.171 1.00 0.00 H new ATOM 0 HB3 GLN A 108 5.098 6.204 31.262 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.590 4.564 29.463 1.00 0.00 H new ATOM 0 HG3 GLN A 108 5.992 5.879 28.377 1.00 0.00 H new ATOM 0 HE21 GLN A 108 7.803 3.836 28.950 1.00 0.00 H new ATOM 0 HE22 GLN A 108 9.150 4.503 29.879 1.00 0.00 H new ATOM 1031 N PRO A 109 2.248 6.807 31.694 1.00 0.00 N0 ATOM 1032 CA PRO A 109 1.483 7.546 32.692 1.00 0.00 C0 ATOM 1033 C PRO A 109 2.271 8.741 33.216 1.00 0.00 C0 ATOM 1034 O PRO A 109 3.441 8.615 33.579 1.00 0.00 O0 ATOM 1035 CB PRO A 109 1.247 6.501 33.788 1.00 0.00 C0 ATOM 1036 CG PRO A 109 1.243 5.202 33.058 1.00 0.00 C0 ATOM 1037 CD PRO A 109 2.311 5.358 32.007 1.00 0.00 C0 ATOM 0 HA PRO A 109 0.557 7.968 32.301 1.00 0.00 H new ATOM 0 HB2 PRO A 109 2.032 6.531 34.543 1.00 0.00 H new ATOM 0 HB3 PRO A 109 0.302 6.671 34.304 1.00 0.00 H new ATOM 0 HG2 PRO A 109 1.463 4.370 33.727 1.00 0.00 H new ATOM 0 HG3 PRO A 109 0.270 5.002 32.609 1.00 0.00 H new ATOM 0 HD2 PRO A 109 3.293 5.066 32.380 1.00 0.00 H new ATOM 0 HD3 PRO A 109 2.109 4.744 31.129 1.00 0.00 H new ATOM 1045 N GLY A 110 1.622 9.900 33.252 1.00 0.00 N0 ATOM 1046 CA GLY A 110 2.274 11.129 33.688 1.00 0.00 C0 ATOM 1047 C GLY A 110 2.659 12.000 32.499 1.00 0.00 C0 ATOM 1048 O GLY A 110 3.045 13.157 32.664 1.00 0.00 O0 ATOM 0 H GLY A 110 0.644 10.014 32.984 1.00 0.00 H new ATOM 0 HA2 GLY A 110 1.607 11.684 34.347 1.00 0.00 H new ATOM 0 HA3 GLY A 110 3.165 10.886 34.267 1.00 0.00 H new ATOM 1052 N GLY A 111 2.552 11.437 31.301 1.00 0.00 N0 ATOM 1053 CA GLY A 111 2.855 12.174 30.079 1.00 0.00 C0 ATOM 1054 C GLY A 111 4.339 12.092 29.742 1.00 0.00 C0 ATOM 1055 O GLY A 111 5.055 13.093 29.806 1.00 0.00 O0 ATOM 0 H GLY A 111 2.258 10.472 31.149 1.00 0.00 H new ATOM 0 HA2 GLY A 111 2.269 11.771 29.253 1.00 0.00 H new ATOM 0 HA3 GLY A 111 2.563 13.217 30.198 1.00 0.00 H new ATOM 1059 N LYS A 112 4.793 10.898 29.382 1.00 0.00 N0 ATOM 1060 CA LYS A 112 6.171 10.702 28.946 1.00 0.00 C0 ATOM 1061 C LYS A 112 6.249 9.724 27.782 1.00 0.00 C0 ATOM 1062 O LYS A 112 5.667 8.640 27.830 1.00 0.00 O0 ATOM 1063 CB LYS A 112 7.034 10.205 30.108 1.00 0.00 C0 ATOM 1064 CG LYS A 112 8.511 10.051 29.773 1.00 0.00 C0 ATOM 1065 CD LYS A 112 9.318 9.651 31.000 1.00 0.00 C0 ATOM 1066 CE LYS A 112 10.795 9.499 30.667 1.00 0.00 C0 ATOM 1067 NZ LYS A 112 11.598 9.126 31.863 1.00 0.00 N0 ATOM 0 H LYS A 112 4.227 10.050 29.383 1.00 0.00 H new ATOM 0 HA LYS A 112 6.552 11.665 28.606 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.934 10.899 30.942 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.648 9.243 30.446 1.00 0.00 H new ATOM 0 HG2 LYS A 112 8.633 9.298 28.994 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.895 10.989 29.373 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.195 10.403 31.780 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.935 8.712 31.399 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.917 8.738 29.896 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.172 10.435 30.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.598 9.032 31.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 11.502 9.864 32.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 11.255 8.220 32.243 1.00 0.00 H new ATOM 1081 N PRO A 113 6.969 10.113 26.735 1.00 0.00 N0 ATOM 1082 CA PRO A 113 7.099 9.284 25.543 1.00 0.00 C0 ATOM 1083 C PRO A 113 8.054 8.123 25.782 1.00 0.00 C0 ATOM 1084 O PRO A 113 9.001 8.235 26.560 1.00 0.00 O0 ATOM 1085 CB PRO A 113 7.648 10.264 24.500 1.00 0.00 C0 ATOM 1086 CG PRO A 113 8.429 11.249 25.301 1.00 0.00 C0 ATOM 1087 CD PRO A 113 7.631 11.422 26.565 1.00 0.00 C0 ATOM 0 HA PRO A 113 6.162 8.819 25.236 1.00 0.00 H new ATOM 0 HB2 PRO A 113 8.277 9.757 23.769 1.00 0.00 H new ATOM 0 HB3 PRO A 113 6.844 10.749 23.947 1.00 0.00 H new ATOM 0 HG2 PRO A 113 9.433 10.882 25.512 1.00 0.00 H new ATOM 0 HG3 PRO A 113 8.541 12.194 24.769 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.271 11.662 27.414 1.00 0.00 H new ATOM 0 HD3 PRO A 113 6.905 12.230 26.474 1.00 0.00 H new ATOM 1095 N GLN A 114 7.799 7.006 25.107 1.00 0.00 N0 ATOM 1096 CA GLN A 114 8.729 5.883 25.107 1.00 0.00 C0 ATOM 1097 C GLN A 114 9.091 5.469 23.685 1.00 0.00 C0 ATOM 1098 O GLN A 114 8.214 5.181 22.871 1.00 0.00 O0 ATOM 1099 CB GLN A 114 8.132 4.694 25.862 1.00 0.00 C0 ATOM 1100 CG GLN A 114 9.030 3.467 25.901 1.00 0.00 C0 ATOM 1101 CD GLN A 114 8.398 2.311 26.652 1.00 0.00 C0 ATOM 1102 OE1 GLN A 114 7.796 2.498 27.715 1.00 0.00 O0 ATOM 1103 NE2 GLN A 114 8.530 1.108 26.107 1.00 0.00 N0 ATOM 0 H GLN A 114 6.956 6.855 24.553 1.00 0.00 H new ATOM 0 HA GLN A 114 9.640 6.204 25.613 1.00 0.00 H new ATOM 0 HB2 GLN A 114 7.910 5.001 26.884 1.00 0.00 H new ATOM 0 HB3 GLN A 114 7.184 4.422 25.398 1.00 0.00 H new ATOM 0 HG2 GLN A 114 9.257 3.154 24.882 1.00 0.00 H new ATOM 0 HG3 GLN A 114 9.977 3.728 26.373 1.00 0.00 H new ATOM 0 HE21 GLN A 114 9.035 0.999 25.228 1.00 0.00 H new ATOM 0 HE22 GLN A 114 8.126 0.292 26.567 1.00 0.00 H new ATOM 1112 N LEU A 115 10.387 5.439 23.395 1.00 0.00 N0 ATOM 1113 CA LEU A 115 10.864 5.150 22.048 1.00 0.00 C0 ATOM 1114 C LEU A 115 10.977 3.649 21.812 1.00 0.00 C0 ATOM 1115 O LEU A 115 11.737 2.960 22.493 1.00 0.00 O0 ATOM 1116 CB LEU A 115 12.227 5.815 21.815 1.00 0.00 C0 ATOM 1117 CG LEU A 115 12.247 7.345 21.919 1.00 0.00 C0 ATOM 1118 CD1 LEU A 115 13.667 7.850 21.709 1.00 0.00 C0 ATOM 1119 CD2 LEU A 115 11.299 7.937 20.887 1.00 0.00 C0 ATOM 0 H LEU A 115 11.127 5.612 24.076 1.00 0.00 H new ATOM 0 HA LEU A 115 10.138 5.554 21.343 1.00 0.00 H new ATOM 0 HB2 LEU A 115 12.936 5.411 22.537 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.584 5.532 20.825 1.00 0.00 H new ATOM 0 HG LEU A 115 11.914 7.655 22.910 1.00 0.00 H new ATOM 0 HD11 LEU A 115 13.681 8.937 21.783 1.00 0.00 H new ATOM 0 HD12 LEU A 115 14.320 7.426 22.471 1.00 0.00 H new ATOM 0 HD13 LEU A 115 14.018 7.549 20.722 1.00 0.00 H new ATOM 0 HD21 LEU A 115 11.313 9.024 20.961 1.00 0.00 H new ATOM 0 HD22 LEU A 115 11.615 7.637 19.888 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.288 7.574 21.071 1.00 0.00 H new ATOM 1131 N VAL A 116 10.215 3.148 20.847 1.00 0.00 N0 ATOM 1132 CA VAL A 116 10.295 1.746 20.457 1.00 0.00 C0 ATOM 1133 C VAL A 116 10.544 1.601 18.962 1.00 0.00 C0 ATOM 1134 O VAL A 116 9.685 1.936 18.146 1.00 0.00 O0 ATOM 1135 CB VAL A 116 8.993 1.011 20.832 1.00 0.00 C0 ATOM 1136 CG1 VAL A 116 9.063 -0.448 20.405 1.00 0.00 C0 ATOM 1137 CG2 VAL A 116 8.748 1.124 22.329 1.00 0.00 C0 ATOM 0 H VAL A 116 9.533 3.693 20.319 1.00 0.00 H new ATOM 0 HA VAL A 116 11.133 1.302 20.994 1.00 0.00 H new ATOM 0 HB VAL A 116 8.159 1.477 20.306 1.00 0.00 H new ATOM 0 HG11 VAL A 116 8.136 -0.952 20.678 1.00 0.00 H new ATOM 0 HG12 VAL A 116 9.203 -0.505 19.326 1.00 0.00 H new ATOM 0 HG13 VAL A 116 9.900 -0.934 20.906 1.00 0.00 H new ATOM 0 HG21 VAL A 116 7.826 0.602 22.587 1.00 0.00 H new ATOM 0 HG22 VAL A 116 9.582 0.676 22.869 1.00 0.00 H new ATOM 0 HG23 VAL A 116 8.660 2.175 22.605 1.00 0.00 H new ATOM 1147 N ALA A 117 11.723 1.103 18.608 1.00 0.00 N0 ATOM 1148 CA ALA A 117 12.075 0.888 17.210 1.00 0.00 C0 ATOM 1149 C ALA A 117 11.594 -0.474 16.722 1.00 0.00 C0 ATOM 1150 O ALA A 117 11.738 -1.478 17.418 1.00 0.00 O0 ATOM 1151 CB ALA A 117 13.580 1.016 17.016 1.00 0.00 C0 ATOM 0 H ALA A 117 12.452 0.840 19.271 1.00 0.00 H new ATOM 0 HA ALA A 117 11.575 1.654 16.617 1.00 0.00 H new ATOM 0 HB1 ALA A 117 13.827 0.853 15.967 1.00 0.00 H new ATOM 0 HB2 ALA A 117 13.902 2.014 17.313 1.00 0.00 H new ATOM 0 HB3 ALA A 117 14.090 0.273 17.629 1.00 0.00 H new ATOM 1157 N GLU A 118 11.022 -0.498 15.524 1.00 0.00 N0 ATOM 1158 CA GLU A 118 10.532 -1.739 14.935 1.00 0.00 C0 ATOM 1159 C GLU A 118 11.514 -2.285 13.906 1.00 0.00 C0 ATOM 1160 O GLU A 118 12.272 -1.530 13.296 1.00 0.00 O0 ATOM 1161 CB GLU A 118 9.166 -1.517 14.282 1.00 0.00 C0 ATOM 1162 CG GLU A 118 8.083 -1.035 15.237 1.00 0.00 C0 ATOM 1163 CD GLU A 118 7.693 -2.073 16.251 1.00 0.00 C0 ATOM 1164 OE1 GLU A 118 7.991 -3.225 16.040 1.00 0.00 O0 ATOM 1165 OE2 GLU A 118 7.097 -1.715 17.240 1.00 0.00 O0 ATOM 0 H GLU A 118 10.886 0.328 14.941 1.00 0.00 H new ATOM 0 HA GLU A 118 10.431 -2.471 15.736 1.00 0.00 H new ATOM 0 HB2 GLU A 118 9.275 -0.789 13.478 1.00 0.00 H new ATOM 0 HB3 GLU A 118 8.840 -2.451 13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 118 8.433 -0.142 15.755 1.00 0.00 H new ATOM 0 HG3 GLU A 118 7.202 -0.746 14.663 1.00 0.00 H new ATOM 1172 N PRO A 119 11.497 -3.600 13.719 1.00 0.00 N0 ATOM 1173 CA PRO A 119 12.407 -4.254 12.786 1.00 0.00 C0 ATOM 1174 C PRO A 119 11.932 -4.092 11.348 1.00 0.00 C0 ATOM 1175 O PRO A 119 12.141 -3.067 10.759 1.00 0.00 O0 ATOM 1176 CB PRO A 119 12.365 -5.719 13.232 1.00 0.00 C0 ATOM 1177 CG PRO A 119 10.988 -5.897 13.774 1.00 0.00 C0 ATOM 1178 CD PRO A 119 10.687 -4.594 14.466 1.00 0.00 C0 ATOM 0 HA PRO A 119 13.413 -3.835 12.800 1.00 0.00 H new ATOM 0 HB2 PRO A 119 12.555 -6.395 12.398 1.00 0.00 H new ATOM 0 HB3 PRO A 119 13.121 -5.927 13.989 1.00 0.00 H new ATOM 0 HG2 PRO A 119 10.271 -6.099 12.978 1.00 0.00 H new ATOM 0 HG3 PRO A 119 10.939 -6.736 14.468 1.00 0.00 H new ATOM 0 HD2 PRO A 119 9.624 -4.356 14.425 1.00 0.00 H new ATOM 0 HD3 PRO A 119 10.966 -4.627 15.519 1.00 0.00 H new