USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 540 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 15 HIS : no HE2:sc= -5.09! C(o=-4.9!,f=-10!) USER MOD Set 1.2: A 16 THR OG1 : rot 43:sc= 0.157 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.0687 (180deg=0) USER MOD Single : A 2 SER OG : rot 26:sc= 0.498 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 35:sc= 1.07 USER MOD Single : A 9 CYS SG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 43:sc= 0.26 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc=-0.00177 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -145:sc= 0.497 (180deg=0.0742) USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= 0.335 (180deg=0.121) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.329) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -176:sc= 0 (180deg=-0.00916) USER MOD Single : A 52 ASN : amide:sc= -0.127 K(o=-0.13,f=-1.6!) USER MOD Single : A 53 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 165:sc= -0.032 (180deg=-0.0323) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 39:sc= 0.331 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.782 -15.211 22.697 1.00 0.00 N ATOM 2 CA GLY A 1 15.069 -14.245 21.654 1.00 0.00 C ATOM 3 C GLY A 1 13.912 -13.296 21.407 1.00 0.00 C ATOM 4 O GLY A 1 12.806 -13.514 21.901 1.00 0.00 O ATOM 0 H1 GLY A 1 15.451 -15.083 23.483 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.811 -15.071 23.042 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.878 -16.173 22.315 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.954 -13.670 21.929 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.306 -14.772 20.730 1.00 0.00 H new ATOM 8 N SER A 2 14.168 -12.240 20.643 1.00 0.00 N ATOM 9 CA SER A 2 13.141 -11.251 20.337 1.00 0.00 C ATOM 10 C SER A 2 12.153 -11.794 19.308 1.00 0.00 C ATOM 11 O SER A 2 12.525 -12.097 18.174 1.00 0.00 O ATOM 12 CB SER A 2 13.781 -9.963 19.815 1.00 0.00 C ATOM 13 OG SER A 2 14.536 -10.209 18.641 1.00 0.00 O ATOM 0 H SER A 2 15.078 -12.047 20.224 1.00 0.00 H new ATOM 0 HA SER A 2 12.598 -11.032 21.257 1.00 0.00 H new ATOM 0 HB2 SER A 2 13.005 -9.227 19.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.426 -9.536 20.583 1.00 0.00 H new ATOM 0 HG SER A 2 14.180 -10.998 18.182 1.00 0.00 H new ATOM 19 N SER A 3 10.893 -11.915 19.713 1.00 0.00 N ATOM 20 CA SER A 3 9.852 -12.426 18.829 1.00 0.00 C ATOM 21 C SER A 3 9.105 -11.280 18.152 1.00 0.00 C ATOM 22 O SER A 3 8.009 -11.465 17.624 1.00 0.00 O ATOM 23 CB SER A 3 8.869 -13.297 19.614 1.00 0.00 C ATOM 24 OG SER A 3 8.277 -14.277 18.779 1.00 0.00 O ATOM 0 H SER A 3 10.568 -11.666 20.647 1.00 0.00 H new ATOM 0 HA SER A 3 10.328 -13.032 18.059 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.388 -13.784 20.439 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.092 -12.670 20.052 1.00 0.00 H new ATOM 0 HG SER A 3 7.654 -14.821 19.304 1.00 0.00 H new ATOM 30 N GLY A 4 9.707 -10.095 18.172 1.00 0.00 N ATOM 31 CA GLY A 4 9.086 -8.937 17.557 1.00 0.00 C ATOM 32 C GLY A 4 9.999 -8.250 16.561 1.00 0.00 C ATOM 33 O GLY A 4 10.065 -7.021 16.515 1.00 0.00 O ATOM 0 H GLY A 4 10.614 -9.916 18.603 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.170 -9.245 17.053 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.800 -8.227 18.333 1.00 0.00 H new ATOM 37 N SER A 5 10.705 -9.043 15.762 1.00 0.00 N ATOM 38 CA SER A 5 11.623 -8.504 14.766 1.00 0.00 C ATOM 39 C SER A 5 10.873 -8.100 13.500 1.00 0.00 C ATOM 40 O SER A 5 11.084 -7.013 12.961 1.00 0.00 O ATOM 41 CB SER A 5 12.702 -9.533 14.426 1.00 0.00 C ATOM 42 OG SER A 5 13.518 -9.083 13.359 1.00 0.00 O ATOM 0 H SER A 5 10.659 -10.062 15.785 1.00 0.00 H new ATOM 0 HA SER A 5 12.097 -7.617 15.186 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.319 -9.722 15.305 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.234 -10.480 14.156 1.00 0.00 H new ATOM 0 HG SER A 5 14.201 -9.758 13.162 1.00 0.00 H new ATOM 48 N SER A 6 9.997 -8.982 13.031 1.00 0.00 N ATOM 49 CA SER A 6 9.218 -8.720 11.826 1.00 0.00 C ATOM 50 C SER A 6 7.847 -9.384 11.911 1.00 0.00 C ATOM 51 O SER A 6 7.721 -10.597 11.753 1.00 0.00 O ATOM 52 CB SER A 6 9.966 -9.224 10.590 1.00 0.00 C ATOM 53 OG SER A 6 10.094 -10.635 10.612 1.00 0.00 O ATOM 0 H SER A 6 9.808 -9.885 13.467 1.00 0.00 H new ATOM 0 HA SER A 6 9.076 -7.643 11.741 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.434 -8.918 9.689 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.954 -8.767 10.548 1.00 0.00 H new ATOM 0 HG SER A 6 9.296 -11.030 11.022 1.00 0.00 H new ATOM 59 N GLY A 7 6.820 -8.577 12.161 1.00 0.00 N ATOM 60 CA GLY A 7 5.471 -9.102 12.263 1.00 0.00 C ATOM 61 C GLY A 7 4.439 -8.171 11.659 1.00 0.00 C ATOM 62 O GLY A 7 3.545 -7.688 12.354 1.00 0.00 O ATOM 0 H GLY A 7 6.898 -7.569 12.295 1.00 0.00 H new ATOM 0 HA2 GLY A 7 5.422 -10.068 11.761 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.230 -9.275 13.312 1.00 0.00 H new ATOM 66 N PHE A 8 4.563 -7.915 10.360 1.00 0.00 N ATOM 67 CA PHE A 8 3.635 -7.033 9.663 1.00 0.00 C ATOM 68 C PHE A 8 2.267 -7.692 9.512 1.00 0.00 C ATOM 69 O PHE A 8 2.169 -8.904 9.315 1.00 0.00 O ATOM 70 CB PHE A 8 4.189 -6.660 8.286 1.00 0.00 C ATOM 71 CG PHE A 8 5.660 -6.355 8.295 1.00 0.00 C ATOM 72 CD1 PHE A 8 6.592 -7.369 8.150 1.00 0.00 C ATOM 73 CD2 PHE A 8 6.109 -5.053 8.447 1.00 0.00 C ATOM 74 CE1 PHE A 8 7.946 -7.090 8.158 1.00 0.00 C ATOM 75 CE2 PHE A 8 7.462 -4.768 8.456 1.00 0.00 C ATOM 76 CZ PHE A 8 8.381 -5.788 8.310 1.00 0.00 C ATOM 0 H PHE A 8 5.297 -8.306 9.770 1.00 0.00 H new ATOM 0 HA PHE A 8 3.518 -6.127 10.258 1.00 0.00 H new ATOM 0 HB2 PHE A 8 4.000 -7.480 7.593 1.00 0.00 H new ATOM 0 HB3 PHE A 8 3.648 -5.792 7.908 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.257 -8.389 8.029 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.394 -4.252 8.560 1.00 0.00 H new ATOM 0 HE1 PHE A 8 8.663 -7.890 8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.799 -3.749 8.577 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.438 -5.568 8.315 1.00 0.00 H new ATOM 86 N CYS A 9 1.215 -6.887 9.606 1.00 0.00 N ATOM 87 CA CYS A 9 -0.148 -7.391 9.481 1.00 0.00 C ATOM 88 C CYS A 9 -0.416 -7.889 8.064 1.00 0.00 C ATOM 89 O CYS A 9 -0.813 -9.035 7.863 1.00 0.00 O ATOM 90 CB CYS A 9 -1.153 -6.300 9.850 1.00 0.00 C ATOM 91 SG CYS A 9 -2.805 -6.921 10.246 1.00 0.00 S ATOM 0 H CYS A 9 1.280 -5.882 9.768 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.264 -8.229 10.169 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.771 -5.743 10.706 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.230 -5.597 9.021 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.583 -5.924 10.547 1.00 0.00 H new ATOM 97 N GLY A 10 -0.196 -7.017 7.085 1.00 0.00 N ATOM 98 CA GLY A 10 -0.421 -7.385 5.699 1.00 0.00 C ATOM 99 C GLY A 10 0.217 -6.411 4.729 1.00 0.00 C ATOM 100 O GLY A 10 0.816 -5.418 5.141 1.00 0.00 O ATOM 0 H GLY A 10 0.134 -6.062 7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -0.021 -8.383 5.522 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.493 -7.433 5.509 1.00 0.00 H new ATOM 104 N ARG A 11 0.089 -6.695 3.437 1.00 0.00 N ATOM 105 CA ARG A 11 0.661 -5.838 2.406 1.00 0.00 C ATOM 106 C ARG A 11 -0.434 -5.242 1.526 1.00 0.00 C ATOM 107 O ARG A 11 -1.583 -5.683 1.563 1.00 0.00 O ATOM 108 CB ARG A 11 1.648 -6.628 1.545 1.00 0.00 C ATOM 109 CG ARG A 11 1.041 -7.863 0.899 1.00 0.00 C ATOM 110 CD ARG A 11 1.909 -8.381 -0.237 1.00 0.00 C ATOM 111 NE ARG A 11 3.228 -8.800 0.230 1.00 0.00 N ATOM 112 CZ ARG A 11 4.121 -9.409 -0.543 1.00 0.00 C ATOM 113 NH1 ARG A 11 3.838 -9.668 -1.812 1.00 0.00 N ATOM 114 NH2 ARG A 11 5.300 -9.760 -0.046 1.00 0.00 N ATOM 0 H ARG A 11 -0.406 -7.512 3.079 1.00 0.00 H new ATOM 0 HA ARG A 11 1.191 -5.023 2.899 1.00 0.00 H new ATOM 0 HB2 ARG A 11 2.039 -5.975 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 11 2.494 -6.930 2.162 1.00 0.00 H new ATOM 0 HG2 ARG A 11 0.918 -8.644 1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.047 -7.625 0.520 1.00 0.00 H new ATOM 0 HD2 ARG A 11 1.411 -9.222 -0.719 1.00 0.00 H new ATOM 0 HD3 ARG A 11 2.022 -7.602 -0.991 1.00 0.00 H new ATOM 0 HE ARG A 11 3.477 -8.615 1.202 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.933 -9.400 -2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 11 4.526 -10.136 -2.403 1.00 0.00 H new ATOM 0 HH21 ARG A 11 5.521 -9.562 0.930 1.00 0.00 H new ATOM 0 HH22 ARG A 11 5.985 -10.227 -0.640 1.00 0.00 H new ATOM 128 N ALA A 12 -0.070 -4.238 0.736 1.00 0.00 N ATOM 129 CA ALA A 12 -1.021 -3.583 -0.155 1.00 0.00 C ATOM 130 C ALA A 12 -0.391 -3.294 -1.513 1.00 0.00 C ATOM 131 O ALA A 12 0.816 -3.074 -1.614 1.00 0.00 O ATOM 132 CB ALA A 12 -1.534 -2.297 0.476 1.00 0.00 C ATOM 0 H ALA A 12 0.876 -3.860 0.694 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.862 -4.259 -0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -2.243 -1.818 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -2.030 -2.527 1.419 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.697 -1.623 0.661 1.00 0.00 H new ATOM 138 N ARG A 13 -1.217 -3.296 -2.555 1.00 0.00 N ATOM 139 CA ARG A 13 -0.740 -3.036 -3.908 1.00 0.00 C ATOM 140 C ARG A 13 -1.031 -1.596 -4.320 1.00 0.00 C ATOM 141 O ARG A 13 -2.099 -1.059 -4.026 1.00 0.00 O ATOM 142 CB ARG A 13 -1.394 -4.003 -4.897 1.00 0.00 C ATOM 143 CG ARG A 13 -0.776 -3.964 -6.285 1.00 0.00 C ATOM 144 CD ARG A 13 0.505 -4.780 -6.348 1.00 0.00 C ATOM 145 NE ARG A 13 0.810 -5.217 -7.707 1.00 0.00 N ATOM 146 CZ ARG A 13 2.041 -5.471 -8.139 1.00 0.00 C ATOM 147 NH1 ARG A 13 3.075 -5.332 -7.322 1.00 0.00 N ATOM 148 NH2 ARG A 13 2.238 -5.864 -9.391 1.00 0.00 N ATOM 0 H ARG A 13 -2.219 -3.475 -2.488 1.00 0.00 H new ATOM 0 HA ARG A 13 0.339 -3.188 -3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.320 -5.017 -4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.456 -3.768 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.490 -4.349 -7.013 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -0.565 -2.931 -6.561 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.333 -4.184 -5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.412 -5.651 -5.700 1.00 0.00 H new ATOM 0 HE ARG A 13 0.036 -5.334 -8.361 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.927 -5.029 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.019 -5.528 -7.656 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.444 -5.971 -10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.183 -6.059 -9.722 1.00 0.00 H new ATOM 162 N VAL A 14 -0.073 -0.975 -5.001 1.00 0.00 N ATOM 163 CA VAL A 14 -0.226 0.402 -5.453 1.00 0.00 C ATOM 164 C VAL A 14 -0.725 0.455 -6.893 1.00 0.00 C ATOM 165 O VAL A 14 0.000 0.110 -7.826 1.00 0.00 O ATOM 166 CB VAL A 14 1.101 1.177 -5.353 1.00 0.00 C ATOM 167 CG1 VAL A 14 0.945 2.580 -5.920 1.00 0.00 C ATOM 168 CG2 VAL A 14 1.580 1.228 -3.910 1.00 0.00 C ATOM 0 H VAL A 14 0.818 -1.404 -5.252 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.961 0.870 -4.798 1.00 0.00 H new ATOM 0 HB VAL A 14 1.852 0.653 -5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.893 3.112 -5.841 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.650 2.518 -6.968 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.180 3.116 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.519 1.779 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.831 1.728 -3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.734 0.214 -3.542 1.00 0.00 H new ATOM 178 N HIS A 15 -1.969 0.891 -7.067 1.00 0.00 N ATOM 179 CA HIS A 15 -2.566 0.991 -8.394 1.00 0.00 C ATOM 180 C HIS A 15 -2.269 2.349 -9.022 1.00 0.00 C ATOM 181 O HIS A 15 -2.031 2.450 -10.226 1.00 0.00 O ATOM 182 CB HIS A 15 -4.077 0.771 -8.315 1.00 0.00 C ATOM 183 CG HIS A 15 -4.781 1.764 -7.441 1.00 0.00 C ATOM 184 ND1 HIS A 15 -5.465 2.853 -7.939 1.00 0.00 N ATOM 185 CD2 HIS A 15 -4.906 1.826 -6.095 1.00 0.00 C ATOM 186 CE1 HIS A 15 -5.979 3.543 -6.937 1.00 0.00 C ATOM 187 NE2 HIS A 15 -5.655 2.941 -5.807 1.00 0.00 N ATOM 0 H HIS A 15 -2.583 1.181 -6.306 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.127 0.216 -9.022 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -4.497 0.822 -9.320 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -4.271 -0.234 -7.939 1.00 0.00 H new ATOM 0 HD1 HIS A 15 -5.559 3.089 -8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -4.494 1.129 -5.380 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -6.565 4.446 -7.026 1.00 0.00 H new ATOM 195 N THR A 16 -2.286 3.393 -8.199 1.00 0.00 N ATOM 196 CA THR A 16 -2.021 4.745 -8.674 1.00 0.00 C ATOM 197 C THR A 16 -0.703 5.274 -8.120 1.00 0.00 C ATOM 198 O THR A 16 -0.492 5.292 -6.907 1.00 0.00 O ATOM 199 CB THR A 16 -3.155 5.711 -8.282 1.00 0.00 C ATOM 200 OG1 THR A 16 -4.408 5.220 -8.772 1.00 0.00 O ATOM 201 CG2 THR A 16 -2.897 7.103 -8.838 1.00 0.00 C ATOM 0 H THR A 16 -2.481 3.328 -7.200 1.00 0.00 H new ATOM 0 HA THR A 16 -1.959 4.692 -9.761 1.00 0.00 H new ATOM 0 HB THR A 16 -3.190 5.773 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 16 -4.463 4.254 -8.619 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.711 7.767 -8.548 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.957 7.485 -8.440 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.837 7.055 -9.925 1.00 0.00 H new ATOM 209 N ASP A 17 0.179 5.705 -9.014 1.00 0.00 N ATOM 210 CA ASP A 17 1.477 6.237 -8.613 1.00 0.00 C ATOM 211 C ASP A 17 1.327 7.619 -7.985 1.00 0.00 C ATOM 212 O ASP A 17 0.415 8.372 -8.328 1.00 0.00 O ATOM 213 CB ASP A 17 2.416 6.310 -9.818 1.00 0.00 C ATOM 214 CG ASP A 17 3.471 7.388 -9.666 1.00 0.00 C ATOM 215 OD1 ASP A 17 3.184 8.552 -10.015 1.00 0.00 O ATOM 216 OD2 ASP A 17 4.582 7.068 -9.196 1.00 0.00 O ATOM 0 H ASP A 17 0.020 5.697 -10.021 1.00 0.00 H new ATOM 0 HA ASP A 17 1.904 5.564 -7.869 1.00 0.00 H new ATOM 0 HB2 ASP A 17 2.904 5.345 -9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.832 6.501 -10.719 1.00 0.00 H new ATOM 221 N PHE A 18 2.227 7.945 -7.064 1.00 0.00 N ATOM 222 CA PHE A 18 2.194 9.236 -6.386 1.00 0.00 C ATOM 223 C PHE A 18 3.585 9.631 -5.901 1.00 0.00 C ATOM 224 O PHE A 18 4.250 8.870 -5.196 1.00 0.00 O ATOM 225 CB PHE A 18 1.223 9.191 -5.205 1.00 0.00 C ATOM 226 CG PHE A 18 1.424 10.307 -4.220 1.00 0.00 C ATOM 227 CD1 PHE A 18 2.490 10.284 -3.335 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.548 11.380 -4.180 1.00 0.00 C ATOM 229 CE1 PHE A 18 2.677 11.309 -2.427 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.730 12.408 -3.275 1.00 0.00 C ATOM 231 CZ PHE A 18 1.797 12.373 -2.398 1.00 0.00 C ATOM 0 H PHE A 18 2.988 7.333 -6.770 1.00 0.00 H new ATOM 0 HA PHE A 18 1.852 9.985 -7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.202 9.231 -5.583 1.00 0.00 H new ATOM 0 HB3 PHE A 18 1.335 8.237 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.183 9.456 -3.355 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -0.287 11.413 -4.864 1.00 0.00 H new ATOM 0 HE1 PHE A 18 3.510 11.278 -1.741 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.039 13.238 -3.253 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.943 13.176 -1.691 1.00 0.00 H new ATOM 241 N THR A 19 4.021 10.828 -6.283 1.00 0.00 N ATOM 242 CA THR A 19 5.334 11.324 -5.889 1.00 0.00 C ATOM 243 C THR A 19 5.211 12.565 -5.011 1.00 0.00 C ATOM 244 O THR A 19 4.806 13.636 -5.462 1.00 0.00 O ATOM 245 CB THR A 19 6.198 11.663 -7.118 1.00 0.00 C ATOM 246 OG1 THR A 19 5.464 12.501 -8.017 1.00 0.00 O ATOM 247 CG2 THR A 19 6.634 10.396 -7.838 1.00 0.00 C ATOM 0 H THR A 19 3.484 11.471 -6.865 1.00 0.00 H new ATOM 0 HA THR A 19 5.817 10.527 -5.323 1.00 0.00 H new ATOM 0 HB THR A 19 7.088 12.192 -6.775 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.990 13.191 -7.508 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.243 10.660 -8.703 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.218 9.774 -7.159 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.754 9.844 -8.169 1.00 0.00 H new ATOM 255 N PRO A 20 5.570 12.419 -3.727 1.00 0.00 N ATOM 256 CA PRO A 20 5.510 13.518 -2.759 1.00 0.00 C ATOM 257 C PRO A 20 6.560 14.590 -3.032 1.00 0.00 C ATOM 258 O PRO A 20 7.314 14.500 -4.000 1.00 0.00 O ATOM 259 CB PRO A 20 5.786 12.828 -1.421 1.00 0.00 C ATOM 260 CG PRO A 20 6.570 11.612 -1.776 1.00 0.00 C ATOM 261 CD PRO A 20 6.062 11.171 -3.121 1.00 0.00 C ATOM 0 HA PRO A 20 4.554 14.041 -2.796 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.346 13.478 -0.749 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.858 12.566 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 20 7.637 11.833 -1.815 1.00 0.00 H new ATOM 0 HG3 PRO A 20 6.434 10.828 -1.031 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.852 10.718 -3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 20 5.268 10.430 -3.027 1.00 0.00 H new ATOM 269 N SER A 21 6.602 15.603 -2.173 1.00 0.00 N ATOM 270 CA SER A 21 7.558 16.694 -2.325 1.00 0.00 C ATOM 271 C SER A 21 8.973 16.225 -2.001 1.00 0.00 C ATOM 272 O SER A 21 9.181 15.229 -1.308 1.00 0.00 O ATOM 273 CB SER A 21 7.176 17.865 -1.417 1.00 0.00 C ATOM 274 OG SER A 21 6.187 18.678 -2.022 1.00 0.00 O ATOM 0 H SER A 21 5.986 15.691 -1.365 1.00 0.00 H new ATOM 0 HA SER A 21 7.532 17.025 -3.363 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.806 17.485 -0.465 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.060 18.464 -1.199 1.00 0.00 H new ATOM 0 HG SER A 21 5.959 19.418 -1.421 1.00 0.00 H new ATOM 280 N PRO A 22 9.971 16.960 -2.514 1.00 0.00 N ATOM 281 CA PRO A 22 11.384 16.640 -2.294 1.00 0.00 C ATOM 282 C PRO A 22 11.816 16.884 -0.851 1.00 0.00 C ATOM 283 O PRO A 22 12.831 16.354 -0.399 1.00 0.00 O ATOM 284 CB PRO A 22 12.116 17.596 -3.239 1.00 0.00 C ATOM 285 CG PRO A 22 11.181 18.742 -3.418 1.00 0.00 C ATOM 286 CD PRO A 22 9.796 18.161 -3.349 1.00 0.00 C ATOM 0 HA PRO A 22 11.597 15.587 -2.481 1.00 0.00 H new ATOM 0 HB2 PRO A 22 13.065 17.922 -2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 22 12.341 17.116 -4.191 1.00 0.00 H new ATOM 0 HG2 PRO A 22 11.329 19.491 -2.641 1.00 0.00 H new ATOM 0 HG3 PRO A 22 11.349 19.237 -4.374 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.089 18.860 -2.904 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.416 17.910 -4.339 1.00 0.00 H new ATOM 294 N TYR A 23 11.039 17.688 -0.135 1.00 0.00 N ATOM 295 CA TYR A 23 11.342 18.003 1.256 1.00 0.00 C ATOM 296 C TYR A 23 10.702 16.987 2.197 1.00 0.00 C ATOM 297 O TYR A 23 11.298 16.591 3.199 1.00 0.00 O ATOM 298 CB TYR A 23 10.853 19.411 1.600 1.00 0.00 C ATOM 299 CG TYR A 23 11.813 20.503 1.185 1.00 0.00 C ATOM 300 CD1 TYR A 23 11.736 21.079 -0.078 1.00 0.00 C ATOM 301 CD2 TYR A 23 12.795 20.960 2.055 1.00 0.00 C ATOM 302 CE1 TYR A 23 12.611 22.076 -0.462 1.00 0.00 C ATOM 303 CE2 TYR A 23 13.673 21.959 1.680 1.00 0.00 C ATOM 304 CZ TYR A 23 13.578 22.513 0.420 1.00 0.00 C ATOM 305 OH TYR A 23 14.450 23.507 0.042 1.00 0.00 O ATOM 0 H TYR A 23 10.195 18.134 -0.494 1.00 0.00 H new ATOM 0 HA TYR A 23 12.424 17.959 1.384 1.00 0.00 H new ATOM 0 HB2 TYR A 23 9.891 19.581 1.116 1.00 0.00 H new ATOM 0 HB3 TYR A 23 10.685 19.476 2.675 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.979 20.741 -0.770 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.874 20.527 3.041 1.00 0.00 H new ATOM 0 HE1 TYR A 23 12.539 22.511 -1.448 1.00 0.00 H new ATOM 0 HE2 TYR A 23 14.429 22.304 2.369 1.00 0.00 H new ATOM 0 HH TYR A 23 15.067 23.699 0.779 1.00 0.00 H new ATOM 315 N ASP A 24 9.485 16.568 1.866 1.00 0.00 N ATOM 316 CA ASP A 24 8.763 15.597 2.679 1.00 0.00 C ATOM 317 C ASP A 24 9.408 14.218 2.578 1.00 0.00 C ATOM 318 O ASP A 24 9.314 13.550 1.548 1.00 0.00 O ATOM 319 CB ASP A 24 7.299 15.522 2.243 1.00 0.00 C ATOM 320 CG ASP A 24 6.449 16.603 2.881 1.00 0.00 C ATOM 321 OD1 ASP A 24 6.946 17.740 3.027 1.00 0.00 O ATOM 322 OD2 ASP A 24 5.287 16.313 3.234 1.00 0.00 O ATOM 0 H ASP A 24 8.978 16.886 1.040 1.00 0.00 H new ATOM 0 HA ASP A 24 8.808 15.925 3.718 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.241 15.611 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.895 14.544 2.505 1.00 0.00 H new ATOM 327 N THR A 25 10.065 13.796 3.655 1.00 0.00 N ATOM 328 CA THR A 25 10.727 12.499 3.687 1.00 0.00 C ATOM 329 C THR A 25 9.755 11.395 4.089 1.00 0.00 C ATOM 330 O THR A 25 9.742 10.319 3.491 1.00 0.00 O ATOM 331 CB THR A 25 11.917 12.500 4.664 1.00 0.00 C ATOM 332 OG1 THR A 25 11.478 12.886 5.971 1.00 0.00 O ATOM 333 CG2 THR A 25 13.007 13.449 4.189 1.00 0.00 C ATOM 0 H THR A 25 10.152 14.335 4.517 1.00 0.00 H new ATOM 0 HA THR A 25 11.094 12.307 2.679 1.00 0.00 H new ATOM 0 HB THR A 25 12.327 11.491 4.702 1.00 0.00 H new ATOM 0 HG1 THR A 25 12.241 12.882 6.587 1.00 0.00 H new ATOM 0 HG21 THR A 25 13.837 13.432 4.895 1.00 0.00 H new ATOM 0 HG22 THR A 25 13.360 13.135 3.207 1.00 0.00 H new ATOM 0 HG23 THR A 25 12.606 14.460 4.124 1.00 0.00 H new ATOM 341 N ASP A 26 8.942 11.670 5.102 1.00 0.00 N ATOM 342 CA ASP A 26 7.965 10.700 5.583 1.00 0.00 C ATOM 343 C ASP A 26 7.205 10.072 4.419 1.00 0.00 C ATOM 344 O ASP A 26 7.226 8.855 4.235 1.00 0.00 O ATOM 345 CB ASP A 26 6.983 11.368 6.547 1.00 0.00 C ATOM 346 CG ASP A 26 7.658 12.384 7.448 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.864 12.219 7.730 1.00 0.00 O ATOM 348 OD2 ASP A 26 6.980 13.343 7.871 1.00 0.00 O ATOM 0 H ASP A 26 8.940 12.557 5.606 1.00 0.00 H new ATOM 0 HA ASP A 26 8.502 9.912 6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.195 11.859 5.976 1.00 0.00 H new ATOM 0 HB3 ASP A 26 6.504 10.605 7.160 1.00 0.00 H new ATOM 353 N SER A 27 6.533 10.910 3.636 1.00 0.00 N ATOM 354 CA SER A 27 5.763 10.437 2.492 1.00 0.00 C ATOM 355 C SER A 27 6.624 9.573 1.576 1.00 0.00 C ATOM 356 O SER A 27 7.546 10.066 0.925 1.00 0.00 O ATOM 357 CB SER A 27 5.194 11.621 1.708 1.00 0.00 C ATOM 358 OG SER A 27 4.068 12.176 2.366 1.00 0.00 O ATOM 0 H SER A 27 6.506 11.920 3.773 1.00 0.00 H new ATOM 0 HA SER A 27 4.940 9.829 2.867 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.962 12.385 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.910 11.296 0.707 1.00 0.00 H new ATOM 0 HG SER A 27 3.725 12.932 1.845 1.00 0.00 H new ATOM 364 N LEU A 28 6.318 8.281 1.532 1.00 0.00 N ATOM 365 CA LEU A 28 7.063 7.346 0.696 1.00 0.00 C ATOM 366 C LEU A 28 6.649 7.474 -0.767 1.00 0.00 C ATOM 367 O LEU A 28 5.528 7.879 -1.073 1.00 0.00 O ATOM 368 CB LEU A 28 6.840 5.911 1.178 1.00 0.00 C ATOM 369 CG LEU A 28 7.089 5.656 2.664 1.00 0.00 C ATOM 370 CD1 LEU A 28 6.493 4.321 3.084 1.00 0.00 C ATOM 371 CD2 LEU A 28 8.580 5.696 2.969 1.00 0.00 C ATOM 0 H LEU A 28 5.559 7.857 2.065 1.00 0.00 H new ATOM 0 HA LEU A 28 8.122 7.589 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.813 5.627 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.489 5.251 0.603 1.00 0.00 H new ATOM 0 HG LEU A 28 6.600 6.445 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.680 4.157 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.418 4.329 2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.953 3.519 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.739 5.512 4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.091 4.928 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.979 6.676 2.706 1.00 0.00 H new ATOM 383 N LYS A 29 7.562 7.123 -1.667 1.00 0.00 N ATOM 384 CA LYS A 29 7.292 7.195 -3.098 1.00 0.00 C ATOM 385 C LYS A 29 6.490 5.983 -3.562 1.00 0.00 C ATOM 386 O LYS A 29 6.974 4.851 -3.515 1.00 0.00 O ATOM 387 CB LYS A 29 8.604 7.282 -3.881 1.00 0.00 C ATOM 388 CG LYS A 29 8.446 7.883 -5.267 1.00 0.00 C ATOM 389 CD LYS A 29 9.786 8.022 -5.971 1.00 0.00 C ATOM 390 CE LYS A 29 10.344 6.667 -6.378 1.00 0.00 C ATOM 391 NZ LYS A 29 11.309 6.781 -7.506 1.00 0.00 N ATOM 0 H LYS A 29 8.495 6.786 -1.430 1.00 0.00 H new ATOM 0 HA LYS A 29 6.703 8.092 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.317 7.880 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.029 6.283 -3.974 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.784 7.255 -5.863 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.972 8.861 -5.188 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.671 8.650 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.494 8.525 -5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.838 6.206 -5.523 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.525 6.008 -6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.667 5.836 -7.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.831 7.198 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.104 7.389 -7.223 1.00 0.00 H new ATOM 405 N LEU A 30 5.264 6.227 -4.010 1.00 0.00 N ATOM 406 CA LEU A 30 4.395 5.156 -4.484 1.00 0.00 C ATOM 407 C LEU A 30 4.430 5.060 -6.006 1.00 0.00 C ATOM 408 O LEU A 30 4.326 6.068 -6.705 1.00 0.00 O ATOM 409 CB LEU A 30 2.960 5.388 -4.009 1.00 0.00 C ATOM 410 CG LEU A 30 2.785 5.682 -2.519 1.00 0.00 C ATOM 411 CD1 LEU A 30 1.337 6.031 -2.210 1.00 0.00 C ATOM 412 CD2 LEU A 30 3.238 4.493 -1.684 1.00 0.00 C ATOM 0 H LEU A 30 4.849 7.158 -4.055 1.00 0.00 H new ATOM 0 HA LEU A 30 4.760 4.216 -4.070 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.542 6.221 -4.575 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.370 4.506 -4.256 1.00 0.00 H new ATOM 0 HG LEU A 30 3.407 6.539 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.232 6.237 -1.145 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.045 6.913 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.695 5.194 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.106 4.720 -0.626 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.643 3.618 -1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.290 4.288 -1.883 1.00 0.00 H new ATOM 424 N LYS A 31 4.575 3.840 -6.514 1.00 0.00 N ATOM 425 CA LYS A 31 4.620 3.611 -7.953 1.00 0.00 C ATOM 426 C LYS A 31 3.682 2.476 -8.352 1.00 0.00 C ATOM 427 O LYS A 31 3.433 1.558 -7.571 1.00 0.00 O ATOM 428 CB LYS A 31 6.049 3.284 -8.393 1.00 0.00 C ATOM 429 CG LYS A 31 6.307 3.550 -9.866 1.00 0.00 C ATOM 430 CD LYS A 31 6.025 2.320 -10.713 1.00 0.00 C ATOM 431 CE LYS A 31 7.200 1.354 -10.701 1.00 0.00 C ATOM 432 NZ LYS A 31 6.817 0.009 -11.212 1.00 0.00 N ATOM 0 H LYS A 31 4.663 2.995 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 31 4.292 4.523 -8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.747 3.873 -7.798 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.255 2.235 -8.180 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.680 4.376 -10.203 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.343 3.859 -10.005 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.134 1.816 -10.339 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.813 2.624 -11.738 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.008 1.758 -11.311 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.583 1.261 -9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.342 -0.722 -10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.796 -0.136 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.045 -0.055 -12.225 1.00 0.00 H new ATOM 446 N LYS A 32 3.163 2.546 -9.574 1.00 0.00 N ATOM 447 CA LYS A 32 2.254 1.524 -10.079 1.00 0.00 C ATOM 448 C LYS A 32 2.880 0.137 -9.970 1.00 0.00 C ATOM 449 O LYS A 32 3.818 -0.190 -10.696 1.00 0.00 O ATOM 450 CB LYS A 32 1.885 1.815 -11.535 1.00 0.00 C ATOM 451 CG LYS A 32 0.605 1.133 -11.986 1.00 0.00 C ATOM 452 CD LYS A 32 0.346 1.357 -13.466 1.00 0.00 C ATOM 453 CE LYS A 32 -0.253 2.731 -13.725 1.00 0.00 C ATOM 454 NZ LYS A 32 -1.583 2.888 -13.074 1.00 0.00 N ATOM 0 H LYS A 32 3.357 3.300 -10.233 1.00 0.00 H new ATOM 0 HA LYS A 32 1.350 1.545 -9.470 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.779 2.892 -11.666 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.704 1.495 -12.179 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.671 0.064 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.236 1.515 -11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.280 1.256 -14.019 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.330 0.588 -13.839 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.426 3.499 -13.354 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.354 2.887 -14.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.047 3.746 -13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.174 2.059 -13.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.458 2.968 -12.045 1.00 0.00 H new ATOM 468 N GLY A 33 2.354 -0.676 -9.059 1.00 0.00 N ATOM 469 CA GLY A 33 2.873 -2.018 -8.873 1.00 0.00 C ATOM 470 C GLY A 33 3.902 -2.093 -7.763 1.00 0.00 C ATOM 471 O GLY A 33 4.961 -2.700 -7.928 1.00 0.00 O ATOM 0 H GLY A 33 1.577 -0.429 -8.446 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.049 -2.695 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.322 -2.363 -9.804 1.00 0.00 H new ATOM 475 N ASP A 34 3.592 -1.475 -6.629 1.00 0.00 N ATOM 476 CA ASP A 34 4.498 -1.474 -5.486 1.00 0.00 C ATOM 477 C ASP A 34 3.841 -2.122 -4.271 1.00 0.00 C ATOM 478 O ASP A 34 2.689 -1.833 -3.949 1.00 0.00 O ATOM 479 CB ASP A 34 4.926 -0.045 -5.149 1.00 0.00 C ATOM 480 CG ASP A 34 5.911 0.517 -6.155 1.00 0.00 C ATOM 481 OD1 ASP A 34 5.730 0.266 -7.365 1.00 0.00 O ATOM 482 OD2 ASP A 34 6.863 1.207 -5.733 1.00 0.00 O ATOM 0 H ASP A 34 2.720 -0.968 -6.476 1.00 0.00 H new ATOM 0 HA ASP A 34 5.380 -2.056 -5.752 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.045 0.596 -5.111 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.376 -0.028 -4.156 1.00 0.00 H new ATOM 487 N ILE A 35 4.582 -2.999 -3.602 1.00 0.00 N ATOM 488 CA ILE A 35 4.071 -3.687 -2.423 1.00 0.00 C ATOM 489 C ILE A 35 4.572 -3.029 -1.142 1.00 0.00 C ATOM 490 O ILE A 35 5.778 -2.934 -0.912 1.00 0.00 O ATOM 491 CB ILE A 35 4.479 -5.173 -2.417 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.965 -5.870 -3.678 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.948 -5.863 -1.170 1.00 0.00 C ATOM 494 CD1 ILE A 35 2.456 -5.929 -3.763 1.00 0.00 C ATOM 0 H ILE A 35 5.537 -3.250 -3.856 1.00 0.00 H new ATOM 0 HA ILE A 35 2.984 -3.617 -2.463 1.00 0.00 H new ATOM 0 HB ILE A 35 5.567 -5.236 -2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.350 -5.348 -4.554 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.363 -6.884 -3.710 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.244 -6.912 -1.180 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.358 -5.379 -0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.860 -5.794 -1.151 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.163 -6.436 -4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.064 -6.476 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.052 -4.917 -3.763 1.00 0.00 H new ATOM 506 N ILE A 36 3.639 -2.578 -0.311 1.00 0.00 N ATOM 507 CA ILE A 36 3.986 -1.932 0.949 1.00 0.00 C ATOM 508 C ILE A 36 3.573 -2.790 2.139 1.00 0.00 C ATOM 509 O ILE A 36 2.453 -3.298 2.193 1.00 0.00 O ATOM 510 CB ILE A 36 3.322 -0.548 1.073 1.00 0.00 C ATOM 511 CG1 ILE A 36 3.734 0.347 -0.098 1.00 0.00 C ATOM 512 CG2 ILE A 36 3.693 0.101 2.398 1.00 0.00 C ATOM 513 CD1 ILE A 36 2.858 1.569 -0.262 1.00 0.00 C ATOM 0 H ILE A 36 2.637 -2.648 -0.487 1.00 0.00 H new ATOM 0 HA ILE A 36 5.069 -1.808 0.952 1.00 0.00 H new ATOM 0 HB ILE A 36 2.240 -0.677 1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.766 0.667 0.045 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.706 -0.237 -1.018 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.216 1.078 2.471 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.354 -0.530 3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.775 0.220 2.454 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.208 2.157 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.828 1.258 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.905 2.175 0.643 1.00 0.00 H new ATOM 525 N ASP A 37 4.484 -2.946 3.093 1.00 0.00 N ATOM 526 CA ASP A 37 4.214 -3.741 4.286 1.00 0.00 C ATOM 527 C ASP A 37 3.467 -2.917 5.330 1.00 0.00 C ATOM 528 O ASP A 37 4.051 -2.055 5.989 1.00 0.00 O ATOM 529 CB ASP A 37 5.521 -4.272 4.877 1.00 0.00 C ATOM 530 CG ASP A 37 6.095 -5.421 4.071 1.00 0.00 C ATOM 531 OD1 ASP A 37 6.276 -5.255 2.846 1.00 0.00 O ATOM 532 OD2 ASP A 37 6.365 -6.485 4.666 1.00 0.00 O ATOM 0 H ASP A 37 5.416 -2.533 3.064 1.00 0.00 H new ATOM 0 HA ASP A 37 3.586 -4.584 3.997 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.251 -3.464 4.923 1.00 0.00 H new ATOM 0 HB3 ASP A 37 5.346 -4.602 5.901 1.00 0.00 H new ATOM 537 N ILE A 38 2.174 -3.186 5.475 1.00 0.00 N ATOM 538 CA ILE A 38 1.349 -2.470 6.439 1.00 0.00 C ATOM 539 C ILE A 38 1.740 -2.824 7.870 1.00 0.00 C ATOM 540 O ILE A 38 1.776 -3.998 8.241 1.00 0.00 O ATOM 541 CB ILE A 38 -0.147 -2.777 6.237 1.00 0.00 C ATOM 542 CG1 ILE A 38 -0.584 -2.385 4.824 1.00 0.00 C ATOM 543 CG2 ILE A 38 -0.983 -2.047 7.278 1.00 0.00 C ATOM 544 CD1 ILE A 38 -1.922 -2.965 4.423 1.00 0.00 C ATOM 0 H ILE A 38 1.675 -3.895 4.937 1.00 0.00 H new ATOM 0 HA ILE A 38 1.520 -1.407 6.271 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.303 -3.849 6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.633 -1.298 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.174 -2.715 4.113 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.038 -2.274 7.122 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.686 -2.371 8.275 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.825 -0.973 7.183 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.168 -2.646 3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.872 -4.053 4.458 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.691 -2.614 5.111 1.00 0.00 H new ATOM 556 N ILE A 39 2.032 -1.803 8.668 1.00 0.00 N ATOM 557 CA ILE A 39 2.418 -2.007 10.058 1.00 0.00 C ATOM 558 C ILE A 39 1.293 -1.603 11.006 1.00 0.00 C ATOM 559 O ILE A 39 1.067 -2.249 12.029 1.00 0.00 O ATOM 560 CB ILE A 39 3.685 -1.208 10.414 1.00 0.00 C ATOM 561 CG1 ILE A 39 4.826 -1.568 9.460 1.00 0.00 C ATOM 562 CG2 ILE A 39 4.090 -1.471 11.856 1.00 0.00 C ATOM 563 CD1 ILE A 39 5.801 -0.436 9.229 1.00 0.00 C ATOM 0 H ILE A 39 2.009 -0.826 8.376 1.00 0.00 H new ATOM 0 HA ILE A 39 2.625 -3.071 10.175 1.00 0.00 H new ATOM 0 HB ILE A 39 3.468 -0.145 10.307 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.366 -2.426 9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.405 -1.875 8.503 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.987 -0.899 12.092 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.282 -1.169 12.522 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.292 -2.534 11.989 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.582 -0.763 8.543 1.00 0.00 H new ATOM 0 HD12 ILE A 39 5.274 0.416 8.799 1.00 0.00 H new ATOM 0 HD13 ILE A 39 6.250 -0.144 10.178 1.00 0.00 H new ATOM 575 N SER A 40 0.590 -0.530 10.658 1.00 0.00 N ATOM 576 CA SER A 40 -0.510 -0.038 11.478 1.00 0.00 C ATOM 577 C SER A 40 -1.536 0.702 10.624 1.00 0.00 C ATOM 578 O SER A 40 -1.181 1.519 9.775 1.00 0.00 O ATOM 579 CB SER A 40 0.018 0.888 12.576 1.00 0.00 C ATOM 580 OG SER A 40 -1.016 1.261 13.470 1.00 0.00 O ATOM 0 H SER A 40 0.763 0.015 9.813 1.00 0.00 H new ATOM 0 HA SER A 40 -0.998 -0.896 11.940 1.00 0.00 H new ATOM 0 HB2 SER A 40 0.815 0.388 13.126 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.453 1.780 12.126 1.00 0.00 H new ATOM 0 HG SER A 40 -0.652 1.851 14.163 1.00 0.00 H new ATOM 586 N LYS A 41 -2.811 0.408 10.856 1.00 0.00 N ATOM 587 CA LYS A 41 -3.891 1.044 10.111 1.00 0.00 C ATOM 588 C LYS A 41 -4.939 1.620 11.057 1.00 0.00 C ATOM 589 O LYS A 41 -5.777 0.903 11.605 1.00 0.00 O ATOM 590 CB LYS A 41 -4.544 0.038 9.161 1.00 0.00 C ATOM 591 CG LYS A 41 -3.556 -0.660 8.242 1.00 0.00 C ATOM 592 CD LYS A 41 -4.214 -1.095 6.943 1.00 0.00 C ATOM 593 CE LYS A 41 -4.780 -2.502 7.048 1.00 0.00 C ATOM 594 NZ LYS A 41 -6.083 -2.524 7.768 1.00 0.00 N ATOM 0 H LYS A 41 -3.122 -0.267 11.555 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.465 1.861 9.529 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.074 -0.712 9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.289 0.554 8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.725 0.011 8.023 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.139 -1.530 8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -5.013 -0.399 6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.485 -1.055 6.134 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.911 -2.916 6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.067 -3.142 7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.586 -3.407 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -5.914 -2.468 8.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.660 -1.713 7.467 1.00 0.00 H new ATOM 608 N PRO A 42 -4.895 2.946 11.254 1.00 0.00 N ATOM 609 CA PRO A 42 -5.836 3.648 12.133 1.00 0.00 C ATOM 610 C PRO A 42 -7.249 3.681 11.561 1.00 0.00 C ATOM 611 O PRO A 42 -7.469 3.450 10.371 1.00 0.00 O ATOM 612 CB PRO A 42 -5.258 5.063 12.213 1.00 0.00 C ATOM 613 CG PRO A 42 -4.475 5.225 10.956 1.00 0.00 C ATOM 614 CD PRO A 42 -3.924 3.863 10.634 1.00 0.00 C ATOM 0 HA PRO A 42 -5.933 3.157 13.101 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -6.049 5.810 12.286 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -4.625 5.183 13.092 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -5.107 5.592 10.147 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -3.672 5.950 11.087 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -3.851 3.703 9.558 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -2.924 3.727 11.045 1.00 0.00 H new ATOM 622 N PRO A 43 -8.232 3.976 12.425 1.00 0.00 N ATOM 623 CA PRO A 43 -9.641 4.047 12.027 1.00 0.00 C ATOM 624 C PRO A 43 -9.931 5.250 11.135 1.00 0.00 C ATOM 625 O PRO A 43 -10.468 5.105 10.038 1.00 0.00 O ATOM 626 CB PRO A 43 -10.380 4.180 13.361 1.00 0.00 C ATOM 627 CG PRO A 43 -9.384 4.789 14.287 1.00 0.00 C ATOM 628 CD PRO A 43 -8.043 4.263 13.857 1.00 0.00 C ATOM 0 HA PRO A 43 -9.944 3.179 11.441 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -11.265 4.809 13.262 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.717 3.210 13.725 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -9.413 5.877 14.230 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.596 4.518 15.321 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.253 4.996 14.019 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.766 3.368 14.413 1.00 0.00 H new ATOM 636 N MET A 44 -9.572 6.436 11.615 1.00 0.00 N ATOM 637 CA MET A 44 -9.794 7.664 10.859 1.00 0.00 C ATOM 638 C MET A 44 -8.470 8.351 10.538 1.00 0.00 C ATOM 639 O MET A 44 -8.447 9.488 10.071 1.00 0.00 O ATOM 640 CB MET A 44 -10.698 8.615 11.644 1.00 0.00 C ATOM 641 CG MET A 44 -9.983 9.342 12.772 1.00 0.00 C ATOM 642 SD MET A 44 -9.987 8.407 14.313 1.00 0.00 S ATOM 643 CE MET A 44 -9.660 9.708 15.500 1.00 0.00 C ATOM 0 H MET A 44 -9.127 6.573 12.522 1.00 0.00 H new ATOM 0 HA MET A 44 -10.283 7.401 9.921 1.00 0.00 H new ATOM 0 HB2 MET A 44 -11.120 9.350 10.959 1.00 0.00 H new ATOM 0 HB3 MET A 44 -11.533 8.050 12.059 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.953 9.542 12.475 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.460 10.308 12.936 1.00 0.00 H new ATOM 0 HE1 MET A 44 -9.632 9.286 16.504 1.00 0.00 H new ATOM 0 HE2 MET A 44 -8.700 10.173 15.275 1.00 0.00 H new ATOM 0 HE3 MET A 44 -10.449 10.458 15.444 1.00 0.00 H new ATOM 653 N GLY A 45 -7.368 7.651 10.793 1.00 0.00 N ATOM 654 CA GLY A 45 -6.056 8.210 10.525 1.00 0.00 C ATOM 655 C GLY A 45 -5.433 7.649 9.263 1.00 0.00 C ATOM 656 O GLY A 45 -6.037 6.823 8.577 1.00 0.00 O ATOM 0 H GLY A 45 -7.361 6.707 11.180 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -6.138 9.293 10.436 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.399 8.009 11.371 1.00 0.00 H new ATOM 660 N THR A 46 -4.221 8.099 8.952 1.00 0.00 N ATOM 661 CA THR A 46 -3.517 7.639 7.761 1.00 0.00 C ATOM 662 C THR A 46 -2.913 6.257 7.980 1.00 0.00 C ATOM 663 O THR A 46 -2.764 5.807 9.116 1.00 0.00 O ATOM 664 CB THR A 46 -2.399 8.618 7.357 1.00 0.00 C ATOM 665 OG1 THR A 46 -2.874 9.966 7.439 1.00 0.00 O ATOM 666 CG2 THR A 46 -1.914 8.331 5.944 1.00 0.00 C ATOM 0 H THR A 46 -3.707 8.782 9.509 1.00 0.00 H new ATOM 0 HA THR A 46 -4.252 7.588 6.958 1.00 0.00 H new ATOM 0 HB THR A 46 -1.564 8.486 8.045 1.00 0.00 H new ATOM 0 HG1 THR A 46 -2.156 10.582 7.182 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.125 9.035 5.680 1.00 0.00 H new ATOM 0 HG22 THR A 46 -1.526 7.314 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.744 8.438 5.246 1.00 0.00 H new ATOM 674 N TRP A 47 -2.567 5.588 6.886 1.00 0.00 N ATOM 675 CA TRP A 47 -1.978 4.256 6.959 1.00 0.00 C ATOM 676 C TRP A 47 -0.456 4.331 6.926 1.00 0.00 C ATOM 677 O TRP A 47 0.117 5.212 6.285 1.00 0.00 O ATOM 678 CB TRP A 47 -2.483 3.389 5.804 1.00 0.00 C ATOM 679 CG TRP A 47 -3.887 2.900 5.998 1.00 0.00 C ATOM 680 CD1 TRP A 47 -4.848 3.461 6.790 1.00 0.00 C ATOM 681 CD2 TRP A 47 -4.486 1.750 5.391 1.00 0.00 C ATOM 682 NE1 TRP A 47 -6.008 2.730 6.712 1.00 0.00 N ATOM 683 CE2 TRP A 47 -5.813 1.675 5.859 1.00 0.00 C ATOM 684 CE3 TRP A 47 -4.032 0.778 4.496 1.00 0.00 C ATOM 685 CZ2 TRP A 47 -6.686 0.666 5.462 1.00 0.00 C ATOM 686 CZ3 TRP A 47 -4.900 -0.223 4.103 1.00 0.00 C ATOM 687 CH2 TRP A 47 -6.215 -0.272 4.585 1.00 0.00 C ATOM 0 H TRP A 47 -2.684 5.946 5.938 1.00 0.00 H new ATOM 0 HA TRP A 47 -2.280 3.804 7.903 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -2.430 3.963 4.879 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.820 2.532 5.686 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -4.715 4.349 7.390 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -6.874 2.938 7.208 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.021 0.808 4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -7.699 0.625 5.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.559 -0.980 3.413 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -6.870 -1.066 4.257 1.00 0.00 H new ATOM 698 N MET A 48 0.194 3.402 7.619 1.00 0.00 N ATOM 699 CA MET A 48 1.651 3.364 7.667 1.00 0.00 C ATOM 700 C MET A 48 2.172 1.990 7.260 1.00 0.00 C ATOM 701 O MET A 48 1.511 0.975 7.477 1.00 0.00 O ATOM 702 CB MET A 48 2.145 3.714 9.072 1.00 0.00 C ATOM 703 CG MET A 48 3.643 3.526 9.254 1.00 0.00 C ATOM 704 SD MET A 48 4.188 3.877 10.936 1.00 0.00 S ATOM 705 CE MET A 48 4.186 5.668 10.925 1.00 0.00 C ATOM 0 H MET A 48 -0.265 2.666 8.155 1.00 0.00 H new ATOM 0 HA MET A 48 2.033 4.102 6.961 1.00 0.00 H new ATOM 0 HB2 MET A 48 1.888 4.750 9.291 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.618 3.095 9.798 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.911 2.501 8.996 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.174 4.178 8.561 1.00 0.00 H new ATOM 0 HE1 MET A 48 4.570 6.038 11.876 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.819 6.028 10.114 1.00 0.00 H new ATOM 0 HE3 MET A 48 3.168 6.030 10.779 1.00 0.00 H new ATOM 715 N GLY A 49 3.362 1.965 6.667 1.00 0.00 N ATOM 716 CA GLY A 49 3.951 0.710 6.239 1.00 0.00 C ATOM 717 C GLY A 49 5.389 0.869 5.787 1.00 0.00 C ATOM 718 O GLY A 49 5.810 1.960 5.401 1.00 0.00 O ATOM 0 H GLY A 49 3.928 2.792 6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.908 -0.006 7.059 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.360 0.295 5.422 1.00 0.00 H new ATOM 722 N LEU A 50 6.147 -0.221 5.836 1.00 0.00 N ATOM 723 CA LEU A 50 7.548 -0.199 5.431 1.00 0.00 C ATOM 724 C LEU A 50 7.691 -0.524 3.947 1.00 0.00 C ATOM 725 O LEU A 50 7.233 -1.569 3.483 1.00 0.00 O ATOM 726 CB LEU A 50 8.357 -1.195 6.263 1.00 0.00 C ATOM 727 CG LEU A 50 9.878 -1.075 6.162 1.00 0.00 C ATOM 728 CD1 LEU A 50 10.350 0.244 6.755 1.00 0.00 C ATOM 729 CD2 LEU A 50 10.553 -2.247 6.860 1.00 0.00 C ATOM 0 H LEU A 50 5.814 -1.132 6.153 1.00 0.00 H new ATOM 0 HA LEU A 50 7.934 0.806 5.603 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.072 -1.080 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 50 8.072 -2.204 5.964 1.00 0.00 H new ATOM 0 HG LEU A 50 10.156 -1.096 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.435 0.312 6.674 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.893 1.071 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.060 0.295 7.805 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.635 -2.145 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.268 -2.257 7.912 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.240 -3.179 6.390 1.00 0.00 H new ATOM 741 N LEU A 51 8.330 0.377 3.209 1.00 0.00 N ATOM 742 CA LEU A 51 8.535 0.185 1.777 1.00 0.00 C ATOM 743 C LEU A 51 9.957 0.564 1.376 1.00 0.00 C ATOM 744 O LEU A 51 10.429 1.658 1.682 1.00 0.00 O ATOM 745 CB LEU A 51 7.530 1.019 0.981 1.00 0.00 C ATOM 746 CG LEU A 51 7.726 1.041 -0.535 1.00 0.00 C ATOM 747 CD1 LEU A 51 7.442 -0.330 -1.130 1.00 0.00 C ATOM 748 CD2 LEU A 51 6.836 2.096 -1.173 1.00 0.00 C ATOM 0 H LEU A 51 8.715 1.247 3.578 1.00 0.00 H new ATOM 0 HA LEU A 51 8.381 -0.870 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.529 0.643 1.192 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.569 2.045 1.347 1.00 0.00 H new ATOM 0 HG LEU A 51 8.765 1.297 -0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 51 7.587 -0.295 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.122 -1.063 -0.696 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.413 -0.616 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.989 2.097 -2.252 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.792 1.872 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.088 3.077 -0.770 1.00 0.00 H new ATOM 760 N ASN A 52 10.635 -0.349 0.687 1.00 0.00 N ATOM 761 CA ASN A 52 12.003 -0.110 0.242 1.00 0.00 C ATOM 762 C ASN A 52 12.895 0.288 1.414 1.00 0.00 C ATOM 763 O ASN A 52 13.702 1.210 1.308 1.00 0.00 O ATOM 764 CB ASN A 52 12.030 0.984 -0.828 1.00 0.00 C ATOM 765 CG ASN A 52 11.884 0.426 -2.230 1.00 0.00 C ATOM 766 OD1 ASN A 52 12.297 -0.700 -2.508 1.00 0.00 O ATOM 767 ND2 ASN A 52 11.293 1.213 -3.122 1.00 0.00 N ATOM 0 H ASN A 52 10.259 -1.260 0.425 1.00 0.00 H new ATOM 0 HA ASN A 52 12.386 -1.037 -0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.226 1.695 -0.637 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.967 1.536 -0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 52 11.166 0.891 -4.081 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.966 2.139 -2.847 1.00 0.00 H new ATOM 774 N ASN A 53 12.743 -0.417 2.531 1.00 0.00 N ATOM 775 CA ASN A 53 13.535 -0.138 3.724 1.00 0.00 C ATOM 776 C ASN A 53 13.314 1.294 4.201 1.00 0.00 C ATOM 777 O ASN A 53 14.250 1.969 4.631 1.00 0.00 O ATOM 778 CB ASN A 53 15.021 -0.369 3.441 1.00 0.00 C ATOM 779 CG ASN A 53 15.312 -1.792 3.005 1.00 0.00 C ATOM 780 OD1 ASN A 53 15.869 -2.023 1.932 1.00 0.00 O ATOM 781 ND2 ASN A 53 14.934 -2.755 3.838 1.00 0.00 N ATOM 0 H ASN A 53 12.080 -1.185 2.635 1.00 0.00 H new ATOM 0 HA ASN A 53 13.212 -0.819 4.511 1.00 0.00 H new ATOM 0 HB2 ASN A 53 15.352 0.321 2.665 1.00 0.00 H new ATOM 0 HB3 ASN A 53 15.598 -0.141 4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.103 -3.732 3.598 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.475 -2.518 4.717 1.00 0.00 H new ATOM 788 N LYS A 54 12.069 1.753 4.123 1.00 0.00 N ATOM 789 CA LYS A 54 11.722 3.103 4.548 1.00 0.00 C ATOM 790 C LYS A 54 10.240 3.201 4.896 1.00 0.00 C ATOM 791 O LYS A 54 9.379 3.110 4.021 1.00 0.00 O ATOM 792 CB LYS A 54 12.066 4.110 3.448 1.00 0.00 C ATOM 793 CG LYS A 54 11.909 5.559 3.878 1.00 0.00 C ATOM 794 CD LYS A 54 11.926 6.500 2.685 1.00 0.00 C ATOM 795 CE LYS A 54 13.346 6.882 2.298 1.00 0.00 C ATOM 796 NZ LYS A 54 13.381 8.116 1.465 1.00 0.00 N ATOM 0 H LYS A 54 11.283 1.208 3.769 1.00 0.00 H new ATOM 0 HA LYS A 54 12.302 3.336 5.441 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.094 3.945 3.125 1.00 0.00 H new ATOM 0 HB3 LYS A 54 11.427 3.925 2.585 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.973 5.678 4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 54 12.713 5.825 4.564 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.432 6.024 1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.358 7.399 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.939 7.035 3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.806 6.060 1.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.366 8.343 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 12.836 7.962 0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.965 8.906 1.998 1.00 0.00 H new ATOM 810 N VAL A 55 9.950 3.388 6.179 1.00 0.00 N ATOM 811 CA VAL A 55 8.572 3.500 6.643 1.00 0.00 C ATOM 812 C VAL A 55 8.158 4.960 6.787 1.00 0.00 C ATOM 813 O VAL A 55 8.932 5.792 7.258 1.00 0.00 O ATOM 814 CB VAL A 55 8.374 2.786 7.993 1.00 0.00 C ATOM 815 CG1 VAL A 55 9.355 3.317 9.027 1.00 0.00 C ATOM 816 CG2 VAL A 55 6.940 2.947 8.475 1.00 0.00 C ATOM 0 H VAL A 55 10.651 3.465 6.916 1.00 0.00 H new ATOM 0 HA VAL A 55 7.945 3.020 5.892 1.00 0.00 H new ATOM 0 HB VAL A 55 8.570 1.723 7.854 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.200 2.801 9.974 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.375 3.145 8.683 1.00 0.00 H new ATOM 0 HG13 VAL A 55 9.194 4.386 9.166 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.818 2.436 9.430 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.714 4.006 8.598 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.259 2.514 7.742 1.00 0.00 H new ATOM 826 N GLY A 56 6.930 5.265 6.377 1.00 0.00 N ATOM 827 CA GLY A 56 6.434 6.626 6.468 1.00 0.00 C ATOM 828 C GLY A 56 4.921 6.688 6.533 1.00 0.00 C ATOM 829 O GLY A 56 4.311 6.186 7.478 1.00 0.00 O ATOM 0 H GLY A 56 6.270 4.594 5.984 1.00 0.00 H new ATOM 0 HA2 GLY A 56 6.853 7.104 7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 56 6.781 7.195 5.605 1.00 0.00 H new ATOM 833 N THR A 57 4.311 7.307 5.527 1.00 0.00 N ATOM 834 CA THR A 57 2.861 7.435 5.475 1.00 0.00 C ATOM 835 C THR A 57 2.342 7.244 4.054 1.00 0.00 C ATOM 836 O THR A 57 3.032 7.558 3.084 1.00 0.00 O ATOM 837 CB THR A 57 2.399 8.809 5.997 1.00 0.00 C ATOM 838 OG1 THR A 57 3.137 9.852 5.350 1.00 0.00 O ATOM 839 CG2 THR A 57 2.589 8.907 7.503 1.00 0.00 C ATOM 0 H THR A 57 4.800 7.728 4.737 1.00 0.00 H new ATOM 0 HA THR A 57 2.452 6.654 6.116 1.00 0.00 H new ATOM 0 HB THR A 57 1.338 8.921 5.772 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.836 10.722 5.686 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.256 9.886 7.849 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.004 8.130 7.995 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.643 8.776 7.746 1.00 0.00 H new ATOM 847 N PHE A 58 1.123 6.728 3.939 1.00 0.00 N ATOM 848 CA PHE A 58 0.512 6.495 2.635 1.00 0.00 C ATOM 849 C PHE A 58 -1.001 6.343 2.763 1.00 0.00 C ATOM 850 O PHE A 58 -1.512 5.966 3.818 1.00 0.00 O ATOM 851 CB PHE A 58 1.109 5.245 1.985 1.00 0.00 C ATOM 852 CG PHE A 58 0.597 3.961 2.574 1.00 0.00 C ATOM 853 CD1 PHE A 58 1.193 3.413 3.698 1.00 0.00 C ATOM 854 CD2 PHE A 58 -0.479 3.302 2.003 1.00 0.00 C ATOM 855 CE1 PHE A 58 0.725 2.232 4.243 1.00 0.00 C ATOM 856 CE2 PHE A 58 -0.952 2.121 2.543 1.00 0.00 C ATOM 857 CZ PHE A 58 -0.348 1.585 3.664 1.00 0.00 C ATOM 0 H PHE A 58 0.539 6.463 4.732 1.00 0.00 H new ATOM 0 HA PHE A 58 0.720 7.359 2.004 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.888 5.259 0.918 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.194 5.275 2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.034 3.915 4.154 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.954 3.716 1.126 1.00 0.00 H new ATOM 0 HE1 PHE A 58 1.198 1.816 5.120 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -1.793 1.618 2.089 1.00 0.00 H new ATOM 0 HZ PHE A 58 -0.715 0.661 4.087 1.00 0.00 H new ATOM 867 N LYS A 59 -1.712 6.640 1.681 1.00 0.00 N ATOM 868 CA LYS A 59 -3.167 6.536 1.669 1.00 0.00 C ATOM 869 C LYS A 59 -3.610 5.152 1.208 1.00 0.00 C ATOM 870 O LYS A 59 -2.952 4.522 0.379 1.00 0.00 O ATOM 871 CB LYS A 59 -3.767 7.607 0.755 1.00 0.00 C ATOM 872 CG LYS A 59 -4.059 8.918 1.464 1.00 0.00 C ATOM 873 CD LYS A 59 -4.915 9.836 0.608 1.00 0.00 C ATOM 874 CE LYS A 59 -4.060 10.735 -0.272 1.00 0.00 C ATOM 875 NZ LYS A 59 -4.889 11.681 -1.070 1.00 0.00 N ATOM 0 H LYS A 59 -1.305 6.955 0.800 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.526 6.692 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -3.080 7.795 -0.070 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.691 7.225 0.320 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.569 8.717 2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.121 9.417 1.709 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.579 9.238 -0.017 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.548 10.449 1.250 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.365 11.298 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.461 10.121 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.283 12.434 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -5.344 11.169 -1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -5.619 12.102 -0.461 1.00 0.00 H new ATOM 889 N PHE A 60 -4.730 4.683 1.748 1.00 0.00 N ATOM 890 CA PHE A 60 -5.262 3.373 1.391 1.00 0.00 C ATOM 891 C PHE A 60 -6.094 3.453 0.115 1.00 0.00 C ATOM 892 O PHE A 60 -6.181 2.486 -0.643 1.00 0.00 O ATOM 893 CB PHE A 60 -6.113 2.816 2.534 1.00 0.00 C ATOM 894 CG PHE A 60 -7.058 3.823 3.124 1.00 0.00 C ATOM 895 CD1 PHE A 60 -8.279 4.083 2.522 1.00 0.00 C ATOM 896 CD2 PHE A 60 -6.726 4.511 4.280 1.00 0.00 C ATOM 897 CE1 PHE A 60 -9.151 5.009 3.062 1.00 0.00 C ATOM 898 CE2 PHE A 60 -7.594 5.438 4.825 1.00 0.00 C ATOM 899 CZ PHE A 60 -8.808 5.688 4.215 1.00 0.00 C ATOM 0 H PHE A 60 -5.287 5.191 2.435 1.00 0.00 H new ATOM 0 HA PHE A 60 -4.421 2.703 1.214 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -6.685 1.964 2.168 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -5.454 2.444 3.319 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -8.552 3.556 1.620 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -5.778 4.321 4.761 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -10.100 5.202 2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -7.323 5.967 5.727 1.00 0.00 H new ATOM 0 HZ PHE A 60 -9.487 6.413 4.639 1.00 0.00 H new ATOM 909 N ILE A 61 -6.703 4.611 -0.115 1.00 0.00 N ATOM 910 CA ILE A 61 -7.528 4.818 -1.299 1.00 0.00 C ATOM 911 C ILE A 61 -6.698 4.702 -2.574 1.00 0.00 C ATOM 912 O ILE A 61 -7.241 4.540 -3.667 1.00 0.00 O ATOM 913 CB ILE A 61 -8.217 6.195 -1.272 1.00 0.00 C ATOM 914 CG1 ILE A 61 -7.174 7.309 -1.172 1.00 0.00 C ATOM 915 CG2 ILE A 61 -9.197 6.273 -0.111 1.00 0.00 C ATOM 916 CD1 ILE A 61 -7.751 8.695 -1.356 1.00 0.00 C ATOM 0 H ILE A 61 -6.641 5.420 0.503 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.291 4.039 -1.292 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.773 6.326 -2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.687 7.253 -0.198 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.403 7.142 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -9.676 7.252 -0.105 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -9.956 5.498 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.662 6.125 0.827 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.955 9.435 -1.273 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.213 8.769 -2.340 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.501 8.882 -0.588 1.00 0.00 H new ATOM 928 N TYR A 62 -5.381 4.784 -2.425 1.00 0.00 N ATOM 929 CA TYR A 62 -4.476 4.689 -3.564 1.00 0.00 C ATOM 930 C TYR A 62 -3.863 3.295 -3.658 1.00 0.00 C ATOM 931 O TYR A 62 -2.990 3.042 -4.489 1.00 0.00 O ATOM 932 CB TYR A 62 -3.369 5.739 -3.451 1.00 0.00 C ATOM 933 CG TYR A 62 -3.788 7.113 -3.922 1.00 0.00 C ATOM 934 CD1 TYR A 62 -4.358 7.297 -5.175 1.00 0.00 C ATOM 935 CD2 TYR A 62 -3.614 8.229 -3.112 1.00 0.00 C ATOM 936 CE1 TYR A 62 -4.741 8.551 -5.609 1.00 0.00 C ATOM 937 CE2 TYR A 62 -3.996 9.487 -3.537 1.00 0.00 C ATOM 938 CZ TYR A 62 -4.558 9.643 -4.786 1.00 0.00 C ATOM 939 OH TYR A 62 -4.940 10.893 -5.215 1.00 0.00 O ATOM 0 H TYR A 62 -4.916 4.916 -1.527 1.00 0.00 H new ATOM 0 HA TYR A 62 -5.052 4.874 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -3.045 5.803 -2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -2.508 5.411 -4.034 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -4.504 6.444 -5.822 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -3.173 8.111 -2.133 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -5.181 8.676 -6.587 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -3.855 10.343 -2.894 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.744 11.552 -4.517 1.00 0.00 H new ATOM 949 N VAL A 63 -4.327 2.393 -2.799 1.00 0.00 N ATOM 950 CA VAL A 63 -3.827 1.023 -2.785 1.00 0.00 C ATOM 951 C VAL A 63 -4.956 0.028 -2.541 1.00 0.00 C ATOM 952 O VAL A 63 -6.103 0.417 -2.324 1.00 0.00 O ATOM 953 CB VAL A 63 -2.745 0.832 -1.705 1.00 0.00 C ATOM 954 CG1 VAL A 63 -1.409 1.379 -2.183 1.00 0.00 C ATOM 955 CG2 VAL A 63 -3.169 1.498 -0.404 1.00 0.00 C ATOM 0 H VAL A 63 -5.048 2.586 -2.104 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.388 0.836 -3.765 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.626 -0.235 -1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.658 1.235 -1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.102 0.852 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.508 2.443 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.394 1.354 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.317 2.565 -0.573 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.101 1.053 -0.054 1.00 0.00 H new ATOM 965 N ASP A 64 -4.622 -1.257 -2.577 1.00 0.00 N ATOM 966 CA ASP A 64 -5.608 -2.309 -2.358 1.00 0.00 C ATOM 967 C ASP A 64 -5.061 -3.379 -1.417 1.00 0.00 C ATOM 968 O ASP A 64 -4.095 -4.070 -1.741 1.00 0.00 O ATOM 969 CB ASP A 64 -6.014 -2.942 -3.689 1.00 0.00 C ATOM 970 CG ASP A 64 -6.403 -1.908 -4.727 1.00 0.00 C ATOM 971 OD1 ASP A 64 -6.991 -0.875 -4.345 1.00 0.00 O ATOM 972 OD2 ASP A 64 -6.119 -2.132 -5.922 1.00 0.00 O ATOM 0 H ASP A 64 -3.677 -1.595 -2.756 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.487 -1.859 -1.896 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.187 -3.542 -4.070 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.851 -3.621 -3.525 1.00 0.00 H new ATOM 977 N VAL A 65 -5.685 -3.509 -0.251 1.00 0.00 N ATOM 978 CA VAL A 65 -5.261 -4.494 0.737 1.00 0.00 C ATOM 979 C VAL A 65 -5.238 -5.896 0.140 1.00 0.00 C ATOM 980 O VAL A 65 -6.121 -6.268 -0.634 1.00 0.00 O ATOM 981 CB VAL A 65 -6.186 -4.488 1.969 1.00 0.00 C ATOM 982 CG1 VAL A 65 -5.733 -5.527 2.982 1.00 0.00 C ATOM 983 CG2 VAL A 65 -6.228 -3.102 2.596 1.00 0.00 C ATOM 0 H VAL A 65 -6.486 -2.945 0.033 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.253 -4.217 1.047 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.194 -4.747 1.646 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.398 -5.508 3.845 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.760 -6.516 2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -4.716 -5.303 3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.886 -3.116 3.465 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.224 -2.812 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.604 -2.384 1.867 1.00 0.00 H new ATOM 993 N LEU A 66 -4.223 -6.672 0.504 1.00 0.00 N ATOM 994 CA LEU A 66 -4.084 -8.035 0.004 1.00 0.00 C ATOM 995 C LEU A 66 -4.132 -9.042 1.149 1.00 0.00 C ATOM 996 O LEU A 66 -3.863 -8.701 2.300 1.00 0.00 O ATOM 997 CB LEU A 66 -2.772 -8.186 -0.768 1.00 0.00 C ATOM 998 CG LEU A 66 -2.552 -7.200 -1.916 1.00 0.00 C ATOM 999 CD1 LEU A 66 -1.158 -7.365 -2.501 1.00 0.00 C ATOM 1000 CD2 LEU A 66 -3.610 -7.391 -2.993 1.00 0.00 C ATOM 0 H LEU A 66 -3.484 -6.380 1.144 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.918 -8.236 -0.668 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.946 -8.084 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.725 -9.198 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.641 -6.188 -1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.019 -6.655 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.414 -7.178 -1.727 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.040 -8.380 -2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.438 -6.681 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.552 -8.407 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.599 -7.222 -2.566 1.00 0.00 H new ATOM 1012 N SER A 67 -4.475 -10.284 0.823 1.00 0.00 N ATOM 1013 CA SER A 67 -4.560 -11.341 1.825 1.00 0.00 C ATOM 1014 C SER A 67 -3.213 -12.036 1.996 1.00 0.00 C ATOM 1015 O SER A 67 -2.657 -12.582 1.043 1.00 0.00 O ATOM 1016 CB SER A 67 -5.627 -12.363 1.429 1.00 0.00 C ATOM 1017 OG SER A 67 -5.324 -12.960 0.180 1.00 0.00 O ATOM 0 H SER A 67 -4.698 -10.583 -0.126 1.00 0.00 H new ATOM 0 HA SER A 67 -4.838 -10.886 2.776 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.699 -13.134 2.196 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.600 -11.875 1.376 1.00 0.00 H new ATOM 0 HG SER A 67 -4.359 -13.123 0.121 1.00 0.00 H new ATOM 1023 N SER A 68 -2.693 -12.012 3.220 1.00 0.00 N ATOM 1024 CA SER A 68 -1.409 -12.636 3.517 1.00 0.00 C ATOM 1025 C SER A 68 -1.606 -14.040 4.081 1.00 0.00 C ATOM 1026 O SER A 68 -2.425 -14.254 4.973 1.00 0.00 O ATOM 1027 CB SER A 68 -0.621 -11.781 4.511 1.00 0.00 C ATOM 1028 OG SER A 68 0.689 -12.289 4.694 1.00 0.00 O ATOM 0 H SER A 68 -3.141 -11.567 4.021 1.00 0.00 H new ATOM 0 HA SER A 68 -0.845 -12.712 2.587 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.569 -10.754 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.142 -11.757 5.468 1.00 0.00 H new ATOM 0 HG SER A 68 1.173 -11.724 5.332 1.00 0.00 H new ATOM 1034 N GLY A 69 -0.846 -14.995 3.552 1.00 0.00 N ATOM 1035 CA GLY A 69 -0.950 -16.367 4.014 1.00 0.00 C ATOM 1036 C GLY A 69 -2.380 -16.870 4.018 1.00 0.00 C ATOM 1037 O GLY A 69 -3.241 -16.364 3.298 1.00 0.00 O ATOM 0 H GLY A 69 -0.161 -14.843 2.812 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -0.344 -17.009 3.375 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -0.539 -16.440 5.021 1.00 0.00 H new ATOM 1041 N PRO A 70 -2.650 -17.891 4.844 1.00 0.00 N ATOM 1042 CA PRO A 70 -3.985 -18.486 4.958 1.00 0.00 C ATOM 1043 C PRO A 70 -4.982 -17.549 5.633 1.00 0.00 C ATOM 1044 O PRO A 70 -4.629 -16.443 6.042 1.00 0.00 O ATOM 1045 CB PRO A 70 -3.748 -19.727 5.823 1.00 0.00 C ATOM 1046 CG PRO A 70 -2.528 -19.408 6.616 1.00 0.00 C ATOM 1047 CD PRO A 70 -1.673 -18.544 5.731 1.00 0.00 C ATOM 0 HA PRO A 70 -4.417 -18.706 3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.601 -19.926 6.472 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.600 -20.615 5.209 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.787 -18.887 7.538 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.999 -20.317 6.902 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.105 -17.815 6.309 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.952 -19.136 5.168 1.00 0.00 H new ATOM 1055 N SER A 71 -6.227 -17.999 5.745 1.00 0.00 N ATOM 1056 CA SER A 71 -7.276 -17.199 6.367 1.00 0.00 C ATOM 1057 C SER A 71 -7.865 -17.921 7.576 1.00 0.00 C ATOM 1058 O SER A 71 -7.956 -19.148 7.596 1.00 0.00 O ATOM 1059 CB SER A 71 -8.380 -16.891 5.355 1.00 0.00 C ATOM 1060 OG SER A 71 -9.488 -16.268 5.982 1.00 0.00 O ATOM 0 H SER A 71 -6.534 -18.913 5.413 1.00 0.00 H new ATOM 0 HA SER A 71 -6.832 -16.263 6.705 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.989 -16.241 4.572 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.703 -17.813 4.872 1.00 0.00 H new ATOM 0 HG SER A 71 -10.179 -16.080 5.313 1.00 0.00 H new ATOM 1066 N SER A 72 -8.263 -17.149 8.582 1.00 0.00 N ATOM 1067 CA SER A 72 -8.840 -17.713 9.796 1.00 0.00 C ATOM 1068 C SER A 72 -9.789 -18.861 9.464 1.00 0.00 C ATOM 1069 O SER A 72 -9.604 -19.987 9.924 1.00 0.00 O ATOM 1070 CB SER A 72 -9.584 -16.632 10.583 1.00 0.00 C ATOM 1071 OG SER A 72 -10.400 -17.205 11.590 1.00 0.00 O ATOM 0 H SER A 72 -8.196 -16.131 8.580 1.00 0.00 H new ATOM 0 HA SER A 72 -8.027 -18.103 10.408 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.866 -15.949 11.037 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.199 -16.042 9.904 1.00 0.00 H new ATOM 0 HG SER A 72 -10.863 -16.494 12.080 1.00 0.00 H new ATOM 1077 N GLY A 73 -10.807 -18.565 8.662 1.00 0.00 N ATOM 1078 CA GLY A 73 -11.771 -19.582 8.282 1.00 0.00 C ATOM 1079 C GLY A 73 -11.518 -20.129 6.891 1.00 0.00 C ATOM 1080 O GLY A 73 -11.863 -21.273 6.595 1.00 0.00 O ATOM 0 H GLY A 73 -10.982 -17.640 8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.736 -20.399 9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.775 -19.161 8.327 1.00 0.00 H new TER 1084 GLY A 73