USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 426 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 46 THR OG1 : rot -84:sc= 0.448 USER MOD Set 1.2: A 51 THR OG1 : rot -100:sc= 1.33 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.11 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 176:sc= -4.03! (180deg=-4.17!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 67:sc= 0.144 USER MOD Single : A 48 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0105) USER MOD Single : A 56 SER OG : rot 12:sc= 0.656! USER MOD Single : A 57 ASN : amide:sc= -0.0242 X(o=-0.024,f=-0.029) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -11.340 -3.463 -0.905 1.00 0.00 N ATOM 60 CA GLY A 7 -10.031 -2.866 -0.717 1.00 0.00 C ATOM 61 C GLY A 7 -9.962 -1.998 0.523 1.00 0.00 C ATOM 62 O GLY A 7 -10.791 -1.108 0.715 1.00 0.00 O ATOM 0 HA2 GLY A 7 -9.282 -3.655 -0.647 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.780 -2.266 -1.591 1.00 0.00 H new ATOM 66 N LYS A 8 -8.972 -2.257 1.370 1.00 0.00 N ATOM 67 CA LYS A 8 -8.797 -1.494 2.600 1.00 0.00 C ATOM 68 C LYS A 8 -8.028 -0.203 2.335 1.00 0.00 C ATOM 69 O LYS A 8 -7.263 -0.111 1.375 1.00 0.00 O ATOM 70 CB LYS A 8 -8.059 -2.334 3.646 1.00 0.00 C ATOM 71 CG LYS A 8 -8.949 -3.338 4.357 1.00 0.00 C ATOM 72 CD LYS A 8 -9.253 -4.537 3.475 1.00 0.00 C ATOM 73 CE LYS A 8 -9.606 -5.763 4.303 1.00 0.00 C ATOM 74 NZ LYS A 8 -9.612 -7.005 3.480 1.00 0.00 N ATOM 0 H LYS A 8 -8.278 -2.990 1.227 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.785 -1.236 2.981 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.241 -2.866 3.161 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.613 -1.669 4.385 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.462 -3.673 5.273 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -9.881 -2.855 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -10.080 -4.298 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -8.389 -4.757 2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.889 -5.870 5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -10.587 -5.624 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.857 -7.818 4.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -10.314 -6.913 2.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.669 -7.152 3.066 1.00 0.00 H new ATOM 88 N VAL A 9 -8.235 0.791 3.193 1.00 0.00 N ATOM 89 CA VAL A 9 -7.559 2.075 3.053 1.00 0.00 C ATOM 90 C VAL A 9 -6.639 2.345 4.239 1.00 0.00 C ATOM 91 O VAL A 9 -7.101 2.605 5.350 1.00 0.00 O ATOM 92 CB VAL A 9 -8.570 3.230 2.928 1.00 0.00 C ATOM 93 CG1 VAL A 9 -7.846 4.564 2.824 1.00 0.00 C ATOM 94 CG2 VAL A 9 -9.481 3.014 1.730 1.00 0.00 C ATOM 0 H VAL A 9 -8.866 0.731 3.992 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.964 2.022 2.141 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.188 3.248 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.576 5.368 2.736 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.240 4.720 3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.202 4.561 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -10.189 3.840 1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.882 2.969 0.821 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -10.027 2.078 1.852 1.00 0.00 H new ATOM 104 N PHE A 10 -5.335 2.281 3.995 1.00 0.00 N ATOM 105 CA PHE A 10 -4.349 2.517 5.043 1.00 0.00 C ATOM 106 C PHE A 10 -3.621 3.839 4.816 1.00 0.00 C ATOM 107 O PHE A 10 -3.325 4.210 3.680 1.00 0.00 O ATOM 108 CB PHE A 10 -3.339 1.368 5.092 1.00 0.00 C ATOM 109 CG PHE A 10 -3.855 0.147 5.798 1.00 0.00 C ATOM 110 CD1 PHE A 10 -4.785 -0.680 5.190 1.00 0.00 C ATOM 111 CD2 PHE A 10 -3.409 -0.174 7.070 1.00 0.00 C ATOM 112 CE1 PHE A 10 -5.262 -1.804 5.838 1.00 0.00 C ATOM 113 CE2 PHE A 10 -3.882 -1.296 7.723 1.00 0.00 C ATOM 114 CZ PHE A 10 -4.809 -2.113 7.105 1.00 0.00 C ATOM 0 H PHE A 10 -4.936 2.068 3.081 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.875 2.570 5.996 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.058 1.098 4.074 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.433 1.712 5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.142 -0.444 4.198 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.683 0.460 7.557 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.988 -2.440 5.354 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.528 -1.534 8.715 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.179 -2.992 7.612 1.00 0.00 H new ATOM 124 N ARG A 11 -3.336 4.546 5.905 1.00 0.00 N ATOM 125 CA ARG A 11 -2.645 5.827 5.826 1.00 0.00 C ATOM 126 C ARG A 11 -1.190 5.687 6.263 1.00 0.00 C ATOM 127 O ARG A 11 -0.869 4.886 7.140 1.00 0.00 O ATOM 128 CB ARG A 11 -3.353 6.867 6.697 1.00 0.00 C ATOM 129 CG ARG A 11 -2.555 8.147 6.886 1.00 0.00 C ATOM 130 CD ARG A 11 -3.455 9.314 7.261 1.00 0.00 C ATOM 131 NE ARG A 11 -2.748 10.319 8.050 1.00 0.00 N ATOM 132 CZ ARG A 11 -3.356 11.181 8.857 1.00 0.00 C ATOM 133 NH1 ARG A 11 -4.676 11.160 8.981 1.00 0.00 N ATOM 134 NH2 ARG A 11 -2.644 12.066 9.543 1.00 0.00 N ATOM 0 H ARG A 11 -3.573 4.253 6.853 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.664 6.159 4.788 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.315 7.112 6.247 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.560 6.430 7.674 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.806 7.999 7.664 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.018 8.381 5.967 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.847 9.775 6.355 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.310 8.945 7.827 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.731 10.361 7.977 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -5.227 10.481 8.456 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -5.141 11.823 9.601 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -1.628 12.085 9.451 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.112 12.727 10.162 1.00 0.00 H new ATOM 148 N ALA A 12 -0.314 6.472 5.644 1.00 0.00 N ATOM 149 CA ALA A 12 1.107 6.437 5.969 1.00 0.00 C ATOM 150 C ALA A 12 1.417 7.326 7.169 1.00 0.00 C ATOM 151 O ALA A 12 1.442 8.552 7.056 1.00 0.00 O ATOM 152 CB ALA A 12 1.934 6.863 4.766 1.00 0.00 C ATOM 0 H ALA A 12 -0.563 7.140 4.915 1.00 0.00 H new ATOM 0 HA ALA A 12 1.370 5.412 6.231 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.993 6.832 5.023 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.743 6.185 3.934 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.660 7.878 4.477 1.00 0.00 H new ATOM 158 N LEU A 13 1.652 6.701 8.317 1.00 0.00 N ATOM 159 CA LEU A 13 1.960 7.436 9.539 1.00 0.00 C ATOM 160 C LEU A 13 3.190 8.318 9.349 1.00 0.00 C ATOM 161 O LEU A 13 3.304 9.382 9.958 1.00 0.00 O ATOM 162 CB LEU A 13 2.190 6.464 10.698 1.00 0.00 C ATOM 163 CG LEU A 13 1.041 5.503 11.006 1.00 0.00 C ATOM 164 CD1 LEU A 13 1.547 4.299 11.785 1.00 0.00 C ATOM 165 CD2 LEU A 13 -0.058 6.217 11.779 1.00 0.00 C ATOM 0 H LEU A 13 1.635 5.687 8.428 1.00 0.00 H new ATOM 0 HA LEU A 13 1.109 8.076 9.773 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.081 5.875 10.481 1.00 0.00 H new ATOM 0 HB3 LEU A 13 2.402 7.044 11.596 1.00 0.00 H new ATOM 0 HG LEU A 13 0.624 5.151 10.063 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.716 3.626 11.995 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.299 3.774 11.196 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.990 4.633 12.723 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.868 5.518 11.990 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.346 6.598 12.717 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.440 7.047 11.185 1.00 0.00 H new ATOM 177 N TYR A 14 4.106 7.870 8.498 1.00 0.00 N ATOM 178 CA TYR A 14 5.328 8.619 8.227 1.00 0.00 C ATOM 179 C TYR A 14 5.923 8.221 6.880 1.00 0.00 C ATOM 180 O TYR A 14 5.591 7.172 6.325 1.00 0.00 O ATOM 181 CB TYR A 14 6.352 8.385 9.339 1.00 0.00 C ATOM 182 CG TYR A 14 5.728 8.134 10.693 1.00 0.00 C ATOM 183 CD1 TYR A 14 5.325 6.858 11.068 1.00 0.00 C ATOM 184 CD2 TYR A 14 5.541 9.172 11.597 1.00 0.00 C ATOM 185 CE1 TYR A 14 4.754 6.624 12.304 1.00 0.00 C ATOM 186 CE2 TYR A 14 4.972 8.947 12.836 1.00 0.00 C ATOM 187 CZ TYR A 14 4.581 7.671 13.185 1.00 0.00 C ATOM 188 OH TYR A 14 4.013 7.443 14.417 1.00 0.00 O ATOM 0 H TYR A 14 4.026 6.993 7.984 1.00 0.00 H new ATOM 0 HA TYR A 14 5.075 9.679 8.193 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.977 7.533 9.073 1.00 0.00 H new ATOM 0 HB3 TYR A 14 7.008 9.253 9.406 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.460 6.035 10.382 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.846 10.172 11.327 1.00 0.00 H new ATOM 0 HE1 TYR A 14 4.445 5.626 12.579 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.834 9.765 13.527 1.00 0.00 H new ATOM 0 HH TYR A 14 3.964 8.285 14.916 1.00 0.00 H new ATOM 198 N THR A 15 6.807 9.066 6.357 1.00 0.00 N ATOM 199 CA THR A 15 7.449 8.804 5.076 1.00 0.00 C ATOM 200 C THR A 15 8.302 7.542 5.135 1.00 0.00 C ATOM 201 O THR A 15 9.142 7.389 6.023 1.00 0.00 O ATOM 202 CB THR A 15 8.333 9.987 4.639 1.00 0.00 C ATOM 203 OG1 THR A 15 7.578 11.203 4.674 1.00 0.00 O ATOM 204 CG2 THR A 15 8.881 9.765 3.237 1.00 0.00 C ATOM 0 H THR A 15 7.094 9.938 6.802 1.00 0.00 H new ATOM 0 HA THR A 15 6.652 8.666 4.346 1.00 0.00 H new ATOM 0 HB THR A 15 9.171 10.060 5.332 1.00 0.00 H new ATOM 0 HG1 THR A 15 8.148 11.950 4.396 1.00 0.00 H new ATOM 0 HG21 THR A 15 9.502 10.614 2.951 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.480 8.855 3.221 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.054 9.667 2.534 1.00 0.00 H new ATOM 212 N PHE A 16 8.082 6.639 4.185 1.00 0.00 N ATOM 213 CA PHE A 16 8.830 5.389 4.130 1.00 0.00 C ATOM 214 C PHE A 16 9.819 5.398 2.968 1.00 0.00 C ATOM 215 O PHE A 16 9.489 5.826 1.863 1.00 0.00 O ATOM 216 CB PHE A 16 7.874 4.203 3.992 1.00 0.00 C ATOM 217 CG PHE A 16 8.565 2.911 3.663 1.00 0.00 C ATOM 218 CD1 PHE A 16 9.429 2.320 4.571 1.00 0.00 C ATOM 219 CD2 PHE A 16 8.351 2.287 2.444 1.00 0.00 C ATOM 220 CE1 PHE A 16 10.067 1.131 4.271 1.00 0.00 C ATOM 221 CE2 PHE A 16 8.985 1.097 2.139 1.00 0.00 C ATOM 222 CZ PHE A 16 9.845 0.519 3.053 1.00 0.00 C ATOM 0 H PHE A 16 7.391 6.750 3.443 1.00 0.00 H new ATOM 0 HA PHE A 16 9.390 5.288 5.060 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.320 4.083 4.923 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.144 4.424 3.213 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.606 2.794 5.525 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.682 2.735 1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.738 0.681 4.988 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.808 0.619 1.187 1.00 0.00 H new ATOM 0 HZ PHE A 16 10.343 -0.410 2.815 1.00 0.00 H new ATOM 232 N GLU A 17 11.033 4.922 3.227 1.00 0.00 N ATOM 233 CA GLU A 17 12.070 4.876 2.203 1.00 0.00 C ATOM 234 C GLU A 17 12.371 3.436 1.798 1.00 0.00 C ATOM 235 O GLU A 17 13.164 2.740 2.432 1.00 0.00 O ATOM 236 CB GLU A 17 13.346 5.554 2.707 1.00 0.00 C ATOM 237 CG GLU A 17 13.225 7.064 2.830 1.00 0.00 C ATOM 238 CD GLU A 17 14.497 7.710 3.343 1.00 0.00 C ATOM 239 OE1 GLU A 17 15.198 7.076 4.159 1.00 0.00 O ATOM 240 OE2 GLU A 17 14.791 8.851 2.929 1.00 0.00 O ATOM 0 H GLU A 17 11.322 4.563 4.137 1.00 0.00 H new ATOM 0 HA GLU A 17 11.704 5.412 1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.608 5.138 3.680 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.165 5.318 2.028 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.975 7.485 1.856 1.00 0.00 H new ATOM 0 HG3 GLU A 17 12.402 7.305 3.503 1.00 0.00 H new ATOM 247 N PRO A 18 11.724 2.979 0.716 1.00 0.00 N ATOM 248 CA PRO A 18 11.906 1.618 0.201 1.00 0.00 C ATOM 249 C PRO A 18 13.285 1.411 -0.415 1.00 0.00 C ATOM 250 O PRO A 18 13.624 2.032 -1.423 1.00 0.00 O ATOM 251 CB PRO A 18 10.818 1.495 -0.868 1.00 0.00 C ATOM 252 CG PRO A 18 10.556 2.895 -1.305 1.00 0.00 C ATOM 253 CD PRO A 18 10.765 3.754 -0.088 1.00 0.00 C ATOM 0 HA PRO A 18 11.833 0.870 0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 18 11.150 0.876 -1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.918 1.031 -0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 18 11.232 3.186 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 18 9.541 3.001 -1.688 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.162 4.734 -0.352 1.00 0.00 H new ATOM 0 HD3 PRO A 18 9.832 3.922 0.451 1.00 0.00 H new ATOM 261 N ARG A 19 14.076 0.536 0.196 1.00 0.00 N ATOM 262 CA ARG A 19 15.419 0.248 -0.293 1.00 0.00 C ATOM 263 C ARG A 19 15.369 -0.657 -1.520 1.00 0.00 C ATOM 264 O ARG A 19 16.283 -0.656 -2.345 1.00 0.00 O ATOM 265 CB ARG A 19 16.255 -0.410 0.806 1.00 0.00 C ATOM 266 CG ARG A 19 16.831 0.577 1.807 1.00 0.00 C ATOM 267 CD ARG A 19 15.779 1.038 2.803 1.00 0.00 C ATOM 268 NE ARG A 19 16.317 1.997 3.764 1.00 0.00 N ATOM 269 CZ ARG A 19 16.517 3.281 3.487 1.00 0.00 C ATOM 270 NH1 ARG A 19 16.224 3.757 2.285 1.00 0.00 N ATOM 271 NH2 ARG A 19 17.010 4.092 4.414 1.00 0.00 N ATOM 0 H ARG A 19 13.810 0.014 1.031 1.00 0.00 H new ATOM 0 HA ARG A 19 15.884 1.192 -0.578 1.00 0.00 H new ATOM 0 HB2 ARG A 19 15.636 -1.134 1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 19 17.072 -0.966 0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 19 17.661 0.113 2.341 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.235 1.440 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 19 14.946 1.492 2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 19 15.382 0.174 3.336 1.00 0.00 H new ATOM 0 HE ARG A 19 16.552 1.663 4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 19 15.844 3.137 1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 19 16.379 4.743 2.075 1.00 0.00 H new ATOM 0 HH21 ARG A 19 17.236 3.730 5.340 1.00 0.00 H new ATOM 0 HH22 ARG A 19 17.163 5.078 4.200 1.00 0.00 H new ATOM 285 N THR A 20 14.293 -1.430 -1.635 1.00 0.00 N ATOM 286 CA THR A 20 14.123 -2.342 -2.760 1.00 0.00 C ATOM 287 C THR A 20 13.156 -1.770 -3.789 1.00 0.00 C ATOM 288 O THR A 20 12.216 -1.046 -3.459 1.00 0.00 O ATOM 289 CB THR A 20 13.608 -3.717 -2.295 1.00 0.00 C ATOM 290 OG1 THR A 20 12.197 -3.657 -2.060 1.00 0.00 O ATOM 291 CG2 THR A 20 14.320 -4.162 -1.027 1.00 0.00 C ATOM 0 H THR A 20 13.526 -1.443 -0.963 1.00 0.00 H new ATOM 0 HA THR A 20 15.104 -2.466 -3.218 1.00 0.00 H new ATOM 0 HB THR A 20 13.815 -4.443 -3.082 1.00 0.00 H new ATOM 0 HG1 THR A 20 11.877 -4.535 -1.766 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.939 -5.136 -0.718 1.00 0.00 H new ATOM 0 HG22 THR A 20 15.391 -4.235 -1.217 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.141 -3.435 -0.235 1.00 0.00 H new ATOM 299 N PRO A 21 13.387 -2.102 -5.068 1.00 0.00 N ATOM 300 CA PRO A 21 12.545 -1.634 -6.173 1.00 0.00 C ATOM 301 C PRO A 21 11.159 -2.270 -6.155 1.00 0.00 C ATOM 302 O PRO A 21 10.284 -1.895 -6.936 1.00 0.00 O ATOM 303 CB PRO A 21 13.318 -2.071 -7.419 1.00 0.00 C ATOM 304 CG PRO A 21 14.133 -3.234 -6.970 1.00 0.00 C ATOM 305 CD PRO A 21 14.488 -2.962 -5.534 1.00 0.00 C ATOM 0 HA PRO A 21 12.366 -0.560 -6.122 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.642 -2.350 -8.227 1.00 0.00 H new ATOM 0 HB3 PRO A 21 13.950 -1.266 -7.795 1.00 0.00 H new ATOM 0 HG2 PRO A 21 13.571 -4.163 -7.064 1.00 0.00 H new ATOM 0 HG3 PRO A 21 15.030 -3.341 -7.580 1.00 0.00 H new ATOM 0 HD2 PRO A 21 14.552 -3.883 -4.954 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.453 -2.463 -5.446 1.00 0.00 H new ATOM 313 N ASP A 22 10.966 -3.232 -5.261 1.00 0.00 N ATOM 314 CA ASP A 22 9.685 -3.919 -5.141 1.00 0.00 C ATOM 315 C ASP A 22 8.760 -3.181 -4.178 1.00 0.00 C ATOM 316 O ASP A 22 7.538 -3.275 -4.282 1.00 0.00 O ATOM 317 CB ASP A 22 9.897 -5.357 -4.664 1.00 0.00 C ATOM 318 CG ASP A 22 8.795 -6.289 -5.128 1.00 0.00 C ATOM 319 OD1 ASP A 22 8.696 -6.530 -6.350 1.00 0.00 O ATOM 320 OD2 ASP A 22 8.031 -6.779 -4.270 1.00 0.00 O ATOM 0 H ASP A 22 11.680 -3.555 -4.608 1.00 0.00 H new ATOM 0 HA ASP A 22 9.216 -3.936 -6.125 1.00 0.00 H new ATOM 0 HB2 ASP A 22 10.856 -5.721 -5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 22 9.947 -5.372 -3.575 1.00 0.00 H new ATOM 325 N GLU A 23 9.353 -2.449 -3.240 1.00 0.00 N ATOM 326 CA GLU A 23 8.582 -1.697 -2.258 1.00 0.00 C ATOM 327 C GLU A 23 8.048 -0.401 -2.861 1.00 0.00 C ATOM 328 O GLU A 23 8.556 0.080 -3.876 1.00 0.00 O ATOM 329 CB GLU A 23 9.442 -1.385 -1.031 1.00 0.00 C ATOM 330 CG GLU A 23 9.771 -2.608 -0.192 1.00 0.00 C ATOM 331 CD GLU A 23 11.060 -2.448 0.592 1.00 0.00 C ATOM 332 OE1 GLU A 23 11.563 -1.309 0.680 1.00 0.00 O ATOM 333 OE2 GLU A 23 11.564 -3.463 1.116 1.00 0.00 O ATOM 0 H GLU A 23 10.364 -2.361 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 23 7.735 -2.311 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.371 -0.918 -1.358 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.922 -0.657 -0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.951 -2.801 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.851 -3.479 -0.842 1.00 0.00 H new ATOM 340 N LEU A 24 7.022 0.159 -2.231 1.00 0.00 N ATOM 341 CA LEU A 24 6.418 1.400 -2.705 1.00 0.00 C ATOM 342 C LEU A 24 6.837 2.578 -1.832 1.00 0.00 C ATOM 343 O LEU A 24 6.864 2.476 -0.606 1.00 0.00 O ATOM 344 CB LEU A 24 4.893 1.276 -2.717 1.00 0.00 C ATOM 345 CG LEU A 24 4.123 2.507 -3.196 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.263 2.671 -4.702 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.657 2.405 -2.803 1.00 0.00 C ATOM 0 H LEU A 24 6.590 -0.226 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 24 6.770 1.581 -3.721 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.622 0.433 -3.352 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.560 1.034 -1.708 1.00 0.00 H new ATOM 0 HG LEU A 24 4.547 3.388 -2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.709 3.552 -5.025 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.316 2.790 -4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.865 1.788 -5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.124 3.290 -3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.220 1.516 -3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.575 2.337 -1.718 1.00 0.00 H new ATOM 359 N TYR A 25 7.161 3.696 -2.472 1.00 0.00 N ATOM 360 CA TYR A 25 7.580 4.894 -1.754 1.00 0.00 C ATOM 361 C TYR A 25 6.397 5.829 -1.519 1.00 0.00 C ATOM 362 O TYR A 25 5.702 6.218 -2.458 1.00 0.00 O ATOM 363 CB TYR A 25 8.675 5.625 -2.533 1.00 0.00 C ATOM 364 CG TYR A 25 8.754 7.103 -2.224 1.00 0.00 C ATOM 365 CD1 TYR A 25 7.961 8.019 -2.905 1.00 0.00 C ATOM 366 CD2 TYR A 25 9.621 7.583 -1.251 1.00 0.00 C ATOM 367 CE1 TYR A 25 8.031 9.370 -2.627 1.00 0.00 C ATOM 368 CE2 TYR A 25 9.696 8.933 -0.964 1.00 0.00 C ATOM 369 CZ TYR A 25 8.900 9.822 -1.655 1.00 0.00 C ATOM 370 OH TYR A 25 8.971 11.167 -1.374 1.00 0.00 O ATOM 0 H TYR A 25 7.142 3.798 -3.487 1.00 0.00 H new ATOM 0 HA TYR A 25 7.976 4.587 -0.786 1.00 0.00 H new ATOM 0 HB2 TYR A 25 9.637 5.164 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 25 8.499 5.494 -3.601 1.00 0.00 H new ATOM 0 HD1 TYR A 25 7.278 7.668 -3.665 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.247 6.890 -0.709 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.409 10.069 -3.167 1.00 0.00 H new ATOM 0 HE2 TYR A 25 10.374 9.290 -0.203 1.00 0.00 H new ATOM 0 HH TYR A 25 9.630 11.319 -0.665 1.00 0.00 H new ATOM 380 N PHE A 26 6.175 6.186 -0.259 1.00 0.00 N ATOM 381 CA PHE A 26 5.077 7.075 0.102 1.00 0.00 C ATOM 382 C PHE A 26 5.529 8.108 1.130 1.00 0.00 C ATOM 383 O PHE A 26 6.548 7.931 1.796 1.00 0.00 O ATOM 384 CB PHE A 26 3.900 6.269 0.655 1.00 0.00 C ATOM 385 CG PHE A 26 4.312 5.193 1.619 1.00 0.00 C ATOM 386 CD1 PHE A 26 4.738 3.958 1.158 1.00 0.00 C ATOM 387 CD2 PHE A 26 4.272 5.416 2.986 1.00 0.00 C ATOM 388 CE1 PHE A 26 5.118 2.965 2.042 1.00 0.00 C ATOM 389 CE2 PHE A 26 4.650 4.428 3.875 1.00 0.00 C ATOM 390 CZ PHE A 26 5.073 3.201 3.403 1.00 0.00 C ATOM 0 H PHE A 26 6.741 5.873 0.530 1.00 0.00 H new ATOM 0 HA PHE A 26 4.757 7.600 -0.798 1.00 0.00 H new ATOM 0 HB2 PHE A 26 3.208 6.947 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.359 5.815 -0.175 1.00 0.00 H new ATOM 0 HD1 PHE A 26 4.774 3.769 0.095 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.941 6.373 3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.449 2.007 1.670 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.615 4.615 4.938 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.368 2.427 4.096 1.00 0.00 H new ATOM 400 N GLU A 27 4.762 9.187 1.253 1.00 0.00 N ATOM 401 CA GLU A 27 5.084 10.249 2.199 1.00 0.00 C ATOM 402 C GLU A 27 4.077 10.280 3.345 1.00 0.00 C ATOM 403 O GLU A 27 2.976 9.742 3.232 1.00 0.00 O ATOM 404 CB GLU A 27 5.108 11.604 1.490 1.00 0.00 C ATOM 405 CG GLU A 27 6.364 11.837 0.667 1.00 0.00 C ATOM 406 CD GLU A 27 6.463 13.258 0.145 1.00 0.00 C ATOM 407 OE1 GLU A 27 6.939 14.134 0.896 1.00 0.00 O ATOM 408 OE2 GLU A 27 6.066 13.492 -1.016 1.00 0.00 O ATOM 0 H GLU A 27 3.914 9.349 0.710 1.00 0.00 H new ATOM 0 HA GLU A 27 6.072 10.046 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.237 11.679 0.838 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.019 12.396 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.240 11.616 1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.377 11.143 -0.174 1.00 0.00 H new ATOM 415 N GLU A 28 4.463 10.914 4.448 1.00 0.00 N ATOM 416 CA GLU A 28 3.595 11.015 5.615 1.00 0.00 C ATOM 417 C GLU A 28 2.250 11.632 5.241 1.00 0.00 C ATOM 418 O GLU A 28 2.191 12.730 4.690 1.00 0.00 O ATOM 419 CB GLU A 28 4.265 11.850 6.707 1.00 0.00 C ATOM 420 CG GLU A 28 3.423 12.001 7.963 1.00 0.00 C ATOM 421 CD GLU A 28 3.821 13.206 8.792 1.00 0.00 C ATOM 422 OE1 GLU A 28 4.977 13.246 9.262 1.00 0.00 O ATOM 423 OE2 GLU A 28 2.977 14.109 8.971 1.00 0.00 O ATOM 0 H GLU A 28 5.371 11.365 4.558 1.00 0.00 H new ATOM 0 HA GLU A 28 3.421 10.008 5.994 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.217 11.390 6.972 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.489 12.840 6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.373 12.088 7.683 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.518 11.100 8.570 1.00 0.00 H new ATOM 430 N GLY A 29 1.172 10.916 5.545 1.00 0.00 N ATOM 431 CA GLY A 29 -0.158 11.408 5.233 1.00 0.00 C ATOM 432 C GLY A 29 -0.556 11.133 3.797 1.00 0.00 C ATOM 433 O GLY A 29 -0.992 12.036 3.083 1.00 0.00 O ATOM 0 H GLY A 29 1.195 10.004 6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.881 10.942 5.903 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.198 12.481 5.419 1.00 0.00 H new ATOM 437 N ASP A 30 -0.404 9.884 3.372 1.00 0.00 N ATOM 438 CA ASP A 30 -0.750 9.492 2.010 1.00 0.00 C ATOM 439 C ASP A 30 -1.689 8.289 2.013 1.00 0.00 C ATOM 440 O ASP A 30 -1.427 7.287 2.679 1.00 0.00 O ATOM 441 CB ASP A 30 0.514 9.166 1.213 1.00 0.00 C ATOM 442 CG ASP A 30 1.108 10.391 0.545 1.00 0.00 C ATOM 443 OD1 ASP A 30 1.501 11.330 1.268 1.00 0.00 O ATOM 444 OD2 ASP A 30 1.180 10.409 -0.702 1.00 0.00 O ATOM 0 H ASP A 30 -0.044 9.125 3.951 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.262 10.329 1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 30 1.255 8.723 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.279 8.419 0.454 1.00 0.00 H new ATOM 449 N ILE A 31 -2.782 8.396 1.265 1.00 0.00 N ATOM 450 CA ILE A 31 -3.758 7.318 1.181 1.00 0.00 C ATOM 451 C ILE A 31 -3.211 6.141 0.380 1.00 0.00 C ATOM 452 O ILE A 31 -2.644 6.322 -0.698 1.00 0.00 O ATOM 453 CB ILE A 31 -5.072 7.797 0.536 1.00 0.00 C ATOM 454 CG1 ILE A 31 -5.682 8.936 1.355 1.00 0.00 C ATOM 455 CG2 ILE A 31 -6.054 6.641 0.413 1.00 0.00 C ATOM 456 CD1 ILE A 31 -5.879 8.593 2.815 1.00 0.00 C ATOM 0 H ILE A 31 -3.013 9.219 0.708 1.00 0.00 H new ATOM 0 HA ILE A 31 -3.960 6.996 2.203 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.853 8.171 -0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.038 9.812 1.280 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -6.644 9.210 0.922 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.978 6.995 -0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.619 5.858 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.270 6.240 1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.315 9.447 3.334 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.548 7.736 2.901 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.917 8.348 3.264 1.00 0.00 H new ATOM 468 N ILE A 32 -3.386 4.937 0.913 1.00 0.00 N ATOM 469 CA ILE A 32 -2.913 3.730 0.247 1.00 0.00 C ATOM 470 C ILE A 32 -4.001 2.663 0.203 1.00 0.00 C ATOM 471 O ILE A 32 -4.827 2.567 1.110 1.00 0.00 O ATOM 472 CB ILE A 32 -1.669 3.151 0.947 1.00 0.00 C ATOM 473 CG1 ILE A 32 -0.657 4.262 1.238 1.00 0.00 C ATOM 474 CG2 ILE A 32 -1.038 2.063 0.092 1.00 0.00 C ATOM 475 CD1 ILE A 32 0.293 3.933 2.368 1.00 0.00 C ATOM 0 H ILE A 32 -3.852 4.771 1.805 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.647 4.016 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.977 2.708 1.894 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.080 4.462 0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.195 5.178 1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.160 1.664 0.600 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.760 1.262 -0.069 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.741 2.482 -0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.981 4.765 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -0.275 3.762 3.283 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.858 3.035 2.118 1.00 0.00 H new ATOM 487 N TYR A 33 -3.994 1.863 -0.857 1.00 0.00 N ATOM 488 CA TYR A 33 -4.981 0.802 -1.020 1.00 0.00 C ATOM 489 C TYR A 33 -4.353 -0.568 -0.781 1.00 0.00 C ATOM 490 O TYR A 33 -3.534 -1.034 -1.572 1.00 0.00 O ATOM 491 CB TYR A 33 -5.593 0.857 -2.421 1.00 0.00 C ATOM 492 CG TYR A 33 -6.824 1.730 -2.510 1.00 0.00 C ATOM 493 CD1 TYR A 33 -6.716 3.096 -2.742 1.00 0.00 C ATOM 494 CD2 TYR A 33 -8.095 1.189 -2.364 1.00 0.00 C ATOM 495 CE1 TYR A 33 -7.838 3.897 -2.823 1.00 0.00 C ATOM 496 CE2 TYR A 33 -9.223 1.983 -2.445 1.00 0.00 C ATOM 497 CZ TYR A 33 -9.089 3.336 -2.675 1.00 0.00 C ATOM 498 OH TYR A 33 -10.209 4.131 -2.757 1.00 0.00 O ATOM 0 H TYR A 33 -3.316 1.929 -1.616 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.767 0.955 -0.281 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.844 1.227 -3.121 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.851 -0.154 -2.735 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -5.738 3.539 -2.861 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -8.203 0.130 -2.184 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.736 4.957 -3.001 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -10.204 1.546 -2.329 1.00 0.00 H new ATOM 0 HH TYR A 33 -11.010 3.581 -2.632 1.00 0.00 H new ATOM 508 N ILE A 34 -4.744 -1.207 0.317 1.00 0.00 N ATOM 509 CA ILE A 34 -4.222 -2.523 0.661 1.00 0.00 C ATOM 510 C ILE A 34 -5.294 -3.598 0.505 1.00 0.00 C ATOM 511 O ILE A 34 -6.152 -3.764 1.372 1.00 0.00 O ATOM 512 CB ILE A 34 -3.684 -2.556 2.103 1.00 0.00 C ATOM 513 CG1 ILE A 34 -2.669 -1.431 2.318 1.00 0.00 C ATOM 514 CG2 ILE A 34 -3.055 -3.909 2.403 1.00 0.00 C ATOM 515 CD1 ILE A 34 -1.294 -1.746 1.771 1.00 0.00 C ATOM 0 H ILE A 34 -5.420 -0.834 0.983 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.403 -2.727 -0.028 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.517 -2.404 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.040 -0.522 1.844 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.588 -1.224 3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.679 -3.917 3.426 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.804 -4.692 2.285 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.231 -4.088 1.713 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.626 -0.905 1.958 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.902 -2.637 2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.361 -1.924 0.698 1.00 0.00 H new ATOM 527 N THR A 35 -5.237 -4.326 -0.605 1.00 0.00 N ATOM 528 CA THR A 35 -6.201 -5.385 -0.875 1.00 0.00 C ATOM 529 C THR A 35 -5.653 -6.746 -0.462 1.00 0.00 C ATOM 530 O THR A 35 -6.404 -7.631 -0.053 1.00 0.00 O ATOM 531 CB THR A 35 -6.585 -5.429 -2.366 1.00 0.00 C ATOM 532 OG1 THR A 35 -5.441 -5.768 -3.157 1.00 0.00 O ATOM 533 CG2 THR A 35 -7.143 -4.089 -2.821 1.00 0.00 C ATOM 0 H THR A 35 -4.533 -4.202 -1.332 1.00 0.00 H new ATOM 0 HA THR A 35 -7.090 -5.161 -0.285 1.00 0.00 H new ATOM 0 HB THR A 35 -7.355 -6.189 -2.497 1.00 0.00 H new ATOM 0 HG1 THR A 35 -5.694 -5.796 -4.103 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.407 -4.145 -3.877 1.00 0.00 H new ATOM 0 HG22 THR A 35 -8.031 -3.848 -2.237 1.00 0.00 H new ATOM 0 HG23 THR A 35 -6.391 -3.313 -2.675 1.00 0.00 H new ATOM 541 N ASP A 36 -4.339 -6.907 -0.573 1.00 0.00 N ATOM 542 CA ASP A 36 -3.689 -8.161 -0.210 1.00 0.00 C ATOM 543 C ASP A 36 -2.933 -8.020 1.108 1.00 0.00 C ATOM 544 O ASP A 36 -2.143 -7.093 1.286 1.00 0.00 O ATOM 545 CB ASP A 36 -2.730 -8.603 -1.317 1.00 0.00 C ATOM 546 CG ASP A 36 -2.187 -10.000 -1.089 1.00 0.00 C ATOM 547 OD1 ASP A 36 -2.900 -10.974 -1.408 1.00 0.00 O ATOM 548 OD2 ASP A 36 -1.047 -10.119 -0.592 1.00 0.00 O ATOM 0 H ASP A 36 -3.703 -6.185 -0.911 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.462 -8.919 -0.086 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.247 -8.569 -2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.900 -7.899 -1.377 1.00 0.00 H new ATOM 553 N MET A 37 -3.183 -8.945 2.029 1.00 0.00 N ATOM 554 CA MET A 37 -2.526 -8.923 3.331 1.00 0.00 C ATOM 555 C MET A 37 -2.004 -10.308 3.700 1.00 0.00 C ATOM 556 O MET A 37 -2.182 -10.768 4.828 1.00 0.00 O ATOM 557 CB MET A 37 -3.494 -8.427 4.407 1.00 0.00 C ATOM 558 CG MET A 37 -3.937 -6.987 4.208 1.00 0.00 C ATOM 559 SD MET A 37 -5.299 -6.522 5.295 1.00 0.00 S ATOM 560 CE MET A 37 -5.022 -4.760 5.451 1.00 0.00 C ATOM 0 H MET A 37 -3.835 -9.718 1.898 1.00 0.00 H new ATOM 0 HA MET A 37 -1.680 -8.239 3.271 1.00 0.00 H new ATOM 0 HB2 MET A 37 -4.373 -9.071 4.418 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.018 -8.521 5.383 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.091 -6.323 4.387 1.00 0.00 H new ATOM 0 HG3 MET A 37 -4.240 -6.844 3.171 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.826 -4.316 6.037 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.069 -4.584 5.950 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.002 -4.306 4.460 1.00 0.00 H new ATOM 570 N SER A 38 -1.360 -10.967 2.742 1.00 0.00 N ATOM 571 CA SER A 38 -0.816 -12.302 2.966 1.00 0.00 C ATOM 572 C SER A 38 0.368 -12.252 3.927 1.00 0.00 C ATOM 573 O SER A 38 0.482 -13.078 4.832 1.00 0.00 O ATOM 574 CB SER A 38 -0.384 -12.928 1.639 1.00 0.00 C ATOM 575 OG SER A 38 -1.508 -13.281 0.851 1.00 0.00 O ATOM 0 H SER A 38 -1.202 -10.599 1.804 1.00 0.00 H new ATOM 0 HA SER A 38 -1.598 -12.916 3.412 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.243 -12.226 1.089 1.00 0.00 H new ATOM 0 HB3 SER A 38 0.222 -13.814 1.831 1.00 0.00 H new ATOM 0 HG SER A 38 -1.205 -13.677 0.008 1.00 0.00 H new ATOM 581 N ASP A 39 1.246 -11.276 3.723 1.00 0.00 N ATOM 582 CA ASP A 39 2.422 -11.116 4.571 1.00 0.00 C ATOM 583 C ASP A 39 2.254 -9.929 5.514 1.00 0.00 C ATOM 584 O ASP A 39 2.261 -8.774 5.084 1.00 0.00 O ATOM 585 CB ASP A 39 3.674 -10.929 3.713 1.00 0.00 C ATOM 586 CG ASP A 39 4.300 -12.249 3.306 1.00 0.00 C ATOM 587 OD1 ASP A 39 4.091 -13.251 4.023 1.00 0.00 O ATOM 588 OD2 ASP A 39 4.997 -12.280 2.271 1.00 0.00 O ATOM 0 H ASP A 39 1.166 -10.584 2.978 1.00 0.00 H new ATOM 0 HA ASP A 39 2.534 -12.020 5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.417 -10.361 2.819 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.405 -10.339 4.266 1.00 0.00 H new ATOM 593 N THR A 40 2.102 -10.219 6.802 1.00 0.00 N ATOM 594 CA THR A 40 1.930 -9.176 7.806 1.00 0.00 C ATOM 595 C THR A 40 3.101 -8.200 7.791 1.00 0.00 C ATOM 596 O THR A 40 2.942 -7.021 8.104 1.00 0.00 O ATOM 597 CB THR A 40 1.792 -9.774 9.219 1.00 0.00 C ATOM 598 OG1 THR A 40 0.843 -10.846 9.207 1.00 0.00 O ATOM 599 CG2 THR A 40 1.353 -8.711 10.215 1.00 0.00 C ATOM 0 H THR A 40 2.094 -11.168 7.175 1.00 0.00 H new ATOM 0 HA THR A 40 1.013 -8.643 7.554 1.00 0.00 H new ATOM 0 HB THR A 40 2.766 -10.156 9.525 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.762 -11.222 10.109 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.262 -9.156 11.206 1.00 0.00 H new ATOM 0 HG22 THR A 40 2.093 -7.911 10.243 1.00 0.00 H new ATOM 0 HG23 THR A 40 0.389 -8.303 9.911 1.00 0.00 H new ATOM 607 N ASN A 41 4.277 -8.700 7.424 1.00 0.00 N ATOM 608 CA ASN A 41 5.476 -7.871 7.369 1.00 0.00 C ATOM 609 C ASN A 41 5.484 -7.011 6.109 1.00 0.00 C ATOM 610 O ASN A 41 5.813 -5.825 6.157 1.00 0.00 O ATOM 611 CB ASN A 41 6.729 -8.747 7.410 1.00 0.00 C ATOM 612 CG ASN A 41 6.813 -9.578 8.676 1.00 0.00 C ATOM 613 OD1 ASN A 41 7.024 -9.048 9.766 1.00 0.00 O ATOM 614 ND2 ASN A 41 6.648 -10.888 8.535 1.00 0.00 N ATOM 0 H ASN A 41 4.425 -9.674 7.161 1.00 0.00 H new ATOM 0 HA ASN A 41 5.473 -7.212 8.238 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.735 -9.408 6.544 1.00 0.00 H new ATOM 0 HB3 ASN A 41 7.614 -8.115 7.334 1.00 0.00 H new ATOM 0 HD21 ASN A 41 6.694 -11.499 9.351 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.475 -11.284 7.611 1.00 0.00 H new ATOM 621 N TRP A 42 5.119 -7.615 4.984 1.00 0.00 N ATOM 622 CA TRP A 42 5.084 -6.904 3.711 1.00 0.00 C ATOM 623 C TRP A 42 3.702 -6.997 3.074 1.00 0.00 C ATOM 624 O TRP A 42 3.237 -8.085 2.736 1.00 0.00 O ATOM 625 CB TRP A 42 6.138 -7.470 2.758 1.00 0.00 C ATOM 626 CG TRP A 42 7.525 -6.984 3.050 1.00 0.00 C ATOM 627 CD1 TRP A 42 8.593 -7.739 3.443 1.00 0.00 C ATOM 628 CD2 TRP A 42 7.994 -5.633 2.973 1.00 0.00 C ATOM 629 NE1 TRP A 42 9.697 -6.939 3.616 1.00 0.00 N ATOM 630 CE2 TRP A 42 9.356 -5.643 3.333 1.00 0.00 C ATOM 631 CE3 TRP A 42 7.396 -4.416 2.634 1.00 0.00 C ATOM 632 CZ2 TRP A 42 10.126 -4.484 3.363 1.00 0.00 C ATOM 633 CZ3 TRP A 42 8.162 -3.267 2.664 1.00 0.00 C ATOM 634 CH2 TRP A 42 9.515 -3.307 3.026 1.00 0.00 C ATOM 0 H TRP A 42 4.843 -8.595 4.927 1.00 0.00 H new ATOM 0 HA TRP A 42 5.305 -5.854 3.903 1.00 0.00 H new ATOM 0 HB2 TRP A 42 6.122 -8.558 2.816 1.00 0.00 H new ATOM 0 HB3 TRP A 42 5.874 -7.201 1.735 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.573 -8.808 3.595 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.621 -7.259 3.908 1.00 0.00 H new ATOM 0 HE3 TRP A 42 6.354 -4.375 2.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 11.169 -4.513 3.642 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.710 -2.321 2.404 1.00 0.00 H new ATOM 0 HH2 TRP A 42 10.087 -2.391 3.039 1.00 0.00 H new ATOM 645 N TRP A 43 3.052 -5.850 2.912 1.00 0.00 N ATOM 646 CA TRP A 43 1.723 -5.803 2.314 1.00 0.00 C ATOM 647 C TRP A 43 1.798 -5.382 0.851 1.00 0.00 C ATOM 648 O TRP A 43 2.825 -4.885 0.390 1.00 0.00 O ATOM 649 CB TRP A 43 0.826 -4.837 3.090 1.00 0.00 C ATOM 650 CG TRP A 43 0.294 -5.415 4.367 1.00 0.00 C ATOM 651 CD1 TRP A 43 0.301 -6.730 4.736 1.00 0.00 C ATOM 652 CD2 TRP A 43 -0.324 -4.698 5.440 1.00 0.00 C ATOM 653 NE1 TRP A 43 -0.276 -6.873 5.975 1.00 0.00 N ATOM 654 CE2 TRP A 43 -0.667 -5.641 6.429 1.00 0.00 C ATOM 655 CE3 TRP A 43 -0.620 -3.350 5.664 1.00 0.00 C ATOM 656 CZ2 TRP A 43 -1.290 -5.277 7.619 1.00 0.00 C ATOM 657 CZ3 TRP A 43 -1.239 -2.991 6.846 1.00 0.00 C ATOM 658 CH2 TRP A 43 -1.568 -3.951 7.812 1.00 0.00 C ATOM 0 H TRP A 43 3.424 -4.941 3.186 1.00 0.00 H new ATOM 0 HA TRP A 43 1.295 -6.804 2.363 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.389 -3.932 3.316 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.011 -4.542 2.457 1.00 0.00 H new ATOM 0 HD1 TRP A 43 0.701 -7.538 4.142 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -0.394 -7.754 6.476 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -0.369 -2.602 4.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.545 -6.016 8.365 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -1.473 -1.953 7.028 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -2.050 -3.639 8.726 1.00 0.00 H new ATOM 669 N LYS A 44 0.704 -5.585 0.124 1.00 0.00 N ATOM 670 CA LYS A 44 0.645 -5.225 -1.287 1.00 0.00 C ATOM 671 C LYS A 44 -0.499 -4.252 -1.554 1.00 0.00 C ATOM 672 O LYS A 44 -1.670 -4.613 -1.451 1.00 0.00 O ATOM 673 CB LYS A 44 0.473 -6.479 -2.148 1.00 0.00 C ATOM 674 CG LYS A 44 1.074 -6.350 -3.537 1.00 0.00 C ATOM 675 CD LYS A 44 1.236 -7.707 -4.202 1.00 0.00 C ATOM 676 CE LYS A 44 2.193 -7.639 -5.382 1.00 0.00 C ATOM 677 NZ LYS A 44 1.661 -6.784 -6.479 1.00 0.00 N ATOM 0 H LYS A 44 -0.154 -5.997 0.490 1.00 0.00 H new ATOM 0 HA LYS A 44 1.583 -4.736 -1.550 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.934 -7.325 -1.639 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.590 -6.703 -2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.437 -5.716 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.044 -5.858 -3.470 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.606 -8.428 -3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 44 0.264 -8.066 -4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.153 -7.246 -5.048 1.00 0.00 H new ATOM 0 HE3 LYS A 44 2.374 -8.645 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.342 -6.763 -7.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.757 -7.173 -6.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.512 -5.818 -6.125 1.00 0.00 H new ATOM 691 N GLY A 45 -0.151 -3.015 -1.897 1.00 0.00 N ATOM 692 CA GLY A 45 -1.160 -2.010 -2.174 1.00 0.00 C ATOM 693 C GLY A 45 -0.699 -0.991 -3.197 1.00 0.00 C ATOM 694 O GLY A 45 0.459 -1.001 -3.617 1.00 0.00 O ATOM 0 H GLY A 45 0.812 -2.691 -1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.065 -2.498 -2.535 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.422 -1.498 -1.248 1.00 0.00 H new ATOM 698 N THR A 46 -1.607 -0.109 -3.603 1.00 0.00 N ATOM 699 CA THR A 46 -1.288 0.919 -4.585 1.00 0.00 C ATOM 700 C THR A 46 -1.642 2.307 -4.064 1.00 0.00 C ATOM 701 O THR A 46 -2.779 2.559 -3.666 1.00 0.00 O ATOM 702 CB THR A 46 -2.030 0.677 -5.913 1.00 0.00 C ATOM 703 OG1 THR A 46 -1.345 -0.316 -6.684 1.00 0.00 O ATOM 704 CG2 THR A 46 -2.137 1.965 -6.716 1.00 0.00 C ATOM 0 H THR A 46 -2.570 -0.086 -3.266 1.00 0.00 H new ATOM 0 HA THR A 46 -0.214 0.864 -4.762 1.00 0.00 H new ATOM 0 HB THR A 46 -3.036 0.327 -5.682 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.618 0.105 -7.188 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.665 1.769 -7.649 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.685 2.709 -6.139 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.138 2.341 -6.936 1.00 0.00 H new ATOM 712 N SER A 47 -0.661 3.204 -4.069 1.00 0.00 N ATOM 713 CA SER A 47 -0.869 4.567 -3.593 1.00 0.00 C ATOM 714 C SER A 47 -0.855 5.556 -4.754 1.00 0.00 C ATOM 715 O SER A 47 -1.902 6.034 -5.191 1.00 0.00 O ATOM 716 CB SER A 47 0.208 4.944 -2.574 1.00 0.00 C ATOM 717 OG SER A 47 0.118 6.313 -2.219 1.00 0.00 O ATOM 0 H SER A 47 0.285 3.012 -4.397 1.00 0.00 H new ATOM 0 HA SER A 47 -1.846 4.612 -3.112 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.101 4.326 -1.682 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.194 4.737 -2.989 1.00 0.00 H new ATOM 0 HG SER A 47 -0.715 6.469 -1.728 1.00 0.00 H new ATOM 723 N LYS A 48 0.339 5.859 -5.250 1.00 0.00 N ATOM 724 CA LYS A 48 0.493 6.790 -6.362 1.00 0.00 C ATOM 725 C LYS A 48 0.671 6.040 -7.679 1.00 0.00 C ATOM 726 O LYS A 48 1.768 5.590 -8.005 1.00 0.00 O ATOM 727 CB LYS A 48 1.691 7.710 -6.121 1.00 0.00 C ATOM 728 CG LYS A 48 1.393 8.862 -5.177 1.00 0.00 C ATOM 729 CD LYS A 48 0.552 9.933 -5.853 1.00 0.00 C ATOM 730 CE LYS A 48 0.565 11.232 -5.062 1.00 0.00 C ATOM 731 NZ LYS A 48 1.835 11.986 -5.253 1.00 0.00 N ATOM 0 H LYS A 48 1.216 5.473 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.413 7.393 -6.427 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.514 7.122 -5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.028 8.112 -7.077 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.869 8.487 -4.298 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.329 9.299 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.931 10.114 -6.859 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.474 9.580 -5.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.276 11.853 -5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.428 11.013 -4.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.765 12.910 -4.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.624 11.447 -4.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.005 12.129 -6.269 1.00 0.00 H new ATOM 745 N GLY A 49 -0.417 5.911 -8.433 1.00 0.00 N ATOM 746 CA GLY A 49 -0.359 5.217 -9.706 1.00 0.00 C ATOM 747 C GLY A 49 0.730 4.163 -9.743 1.00 0.00 C ATOM 748 O GLY A 49 1.440 4.029 -10.740 1.00 0.00 O ATOM 0 H GLY A 49 -1.337 6.275 -8.185 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.322 4.747 -9.904 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.187 5.940 -10.503 1.00 0.00 H new ATOM 752 N ARG A 50 0.864 3.415 -8.653 1.00 0.00 N ATOM 753 CA ARG A 50 1.877 2.370 -8.563 1.00 0.00 C ATOM 754 C ARG A 50 1.398 1.224 -7.677 1.00 0.00 C ATOM 755 O ARG A 50 0.419 1.359 -6.941 1.00 0.00 O ATOM 756 CB ARG A 50 3.184 2.943 -8.012 1.00 0.00 C ATOM 757 CG ARG A 50 3.933 3.814 -9.007 1.00 0.00 C ATOM 758 CD ARG A 50 5.081 4.558 -8.341 1.00 0.00 C ATOM 759 NE ARG A 50 5.597 5.634 -9.183 1.00 0.00 N ATOM 760 CZ ARG A 50 6.807 6.163 -9.040 1.00 0.00 C ATOM 761 NH1 ARG A 50 7.622 5.717 -8.094 1.00 0.00 N ATOM 762 NH2 ARG A 50 7.205 7.140 -9.845 1.00 0.00 N ATOM 0 H ARG A 50 0.284 3.513 -7.820 1.00 0.00 H new ATOM 0 HA ARG A 50 2.053 1.982 -9.566 1.00 0.00 H new ATOM 0 HB2 ARG A 50 2.966 3.530 -7.120 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.830 2.121 -7.703 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.320 3.194 -9.816 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.245 4.531 -9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.742 4.972 -7.391 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.885 3.857 -8.115 1.00 0.00 H new ATOM 0 HE ARG A 50 4.995 5.999 -9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.320 4.966 -7.474 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.551 6.125 -7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.582 7.486 -10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 50 8.134 7.545 -9.734 1.00 0.00 H new ATOM 776 N THR A 51 2.094 0.093 -7.753 1.00 0.00 N ATOM 777 CA THR A 51 1.739 -1.077 -6.960 1.00 0.00 C ATOM 778 C THR A 51 2.984 -1.827 -6.500 1.00 0.00 C ATOM 779 O THR A 51 3.649 -2.492 -7.294 1.00 0.00 O ATOM 780 CB THR A 51 0.836 -2.040 -7.753 1.00 0.00 C ATOM 781 OG1 THR A 51 -0.058 -1.297 -8.588 1.00 0.00 O ATOM 782 CG2 THR A 51 0.038 -2.931 -6.812 1.00 0.00 C ATOM 0 H THR A 51 2.907 -0.037 -8.356 1.00 0.00 H new ATOM 0 HA THR A 51 1.194 -0.715 -6.088 1.00 0.00 H new ATOM 0 HB THR A 51 1.471 -2.671 -8.374 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.939 -1.247 -8.161 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.593 -3.603 -7.394 1.00 0.00 H new ATOM 0 HG22 THR A 51 0.722 -3.517 -6.198 1.00 0.00 H new ATOM 0 HG23 THR A 51 -0.588 -2.313 -6.169 1.00 0.00 H new ATOM 790 N GLY A 52 3.294 -1.718 -5.212 1.00 0.00 N ATOM 791 CA GLY A 52 4.459 -2.392 -4.669 1.00 0.00 C ATOM 792 C GLY A 52 4.265 -2.814 -3.226 1.00 0.00 C ATOM 793 O GLY A 52 3.180 -2.655 -2.666 1.00 0.00 O ATOM 0 H GLY A 52 2.759 -1.175 -4.534 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.682 -3.271 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.323 -1.730 -4.738 1.00 0.00 H new ATOM 797 N LEU A 53 5.318 -3.355 -2.623 1.00 0.00 N ATOM 798 CA LEU A 53 5.258 -3.803 -1.236 1.00 0.00 C ATOM 799 C LEU A 53 5.244 -2.615 -0.280 1.00 0.00 C ATOM 800 O LEU A 53 5.953 -1.630 -0.488 1.00 0.00 O ATOM 801 CB LEU A 53 6.448 -4.712 -0.922 1.00 0.00 C ATOM 802 CG LEU A 53 6.395 -6.118 -1.519 1.00 0.00 C ATOM 803 CD1 LEU A 53 7.654 -6.895 -1.168 1.00 0.00 C ATOM 804 CD2 LEU A 53 5.157 -6.858 -1.032 1.00 0.00 C ATOM 0 H LEU A 53 6.223 -3.494 -3.072 1.00 0.00 H new ATOM 0 HA LEU A 53 4.334 -4.365 -1.101 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.356 -4.223 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.535 -4.802 0.161 1.00 0.00 H new ATOM 0 HG LEU A 53 6.338 -6.029 -2.604 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.598 -7.893 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.525 -6.375 -1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.742 -6.974 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 53 5.136 -7.857 -1.467 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.184 -6.936 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.264 -6.311 -1.335 1.00 0.00 H new ATOM 816 N ILE A 54 4.435 -2.716 0.769 1.00 0.00 N ATOM 817 CA ILE A 54 4.332 -1.651 1.759 1.00 0.00 C ATOM 818 C ILE A 54 4.475 -2.200 3.174 1.00 0.00 C ATOM 819 O ILE A 54 3.902 -3.231 3.528 1.00 0.00 O ATOM 820 CB ILE A 54 2.990 -0.903 1.644 1.00 0.00 C ATOM 821 CG1 ILE A 54 2.680 -0.590 0.179 1.00 0.00 C ATOM 822 CG2 ILE A 54 3.024 0.375 2.469 1.00 0.00 C ATOM 823 CD1 ILE A 54 1.239 -0.198 -0.063 1.00 0.00 C ATOM 0 H ILE A 54 3.841 -3.524 0.955 1.00 0.00 H new ATOM 0 HA ILE A 54 5.146 -0.954 1.558 1.00 0.00 H new ATOM 0 HB ILE A 54 2.199 -1.543 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.329 0.219 -0.157 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.918 -1.463 -0.429 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.069 0.892 2.378 1.00 0.00 H new ATOM 0 HG22 ILE A 54 3.204 0.128 3.515 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.823 1.021 2.106 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.091 0.010 -1.123 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.584 -1.014 0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.002 0.693 0.518 1.00 0.00 H new ATOM 835 N PRO A 55 5.257 -1.496 4.006 1.00 0.00 N ATOM 836 CA PRO A 55 5.493 -1.892 5.397 1.00 0.00 C ATOM 837 C PRO A 55 4.251 -1.724 6.266 1.00 0.00 C ATOM 838 O PRO A 55 3.600 -0.680 6.239 1.00 0.00 O ATOM 839 CB PRO A 55 6.599 -0.939 5.856 1.00 0.00 C ATOM 840 CG PRO A 55 6.455 0.257 4.979 1.00 0.00 C ATOM 841 CD PRO A 55 5.972 -0.258 3.651 1.00 0.00 C ATOM 0 HA PRO A 55 5.759 -2.946 5.481 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.484 -0.675 6.907 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.584 -1.393 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 55 5.746 0.968 5.403 1.00 0.00 H new ATOM 0 HG3 PRO A 55 7.406 0.779 4.872 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.315 0.458 3.157 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.800 -0.453 2.970 1.00 0.00 H new ATOM 849 N SER A 56 3.928 -2.759 7.035 1.00 0.00 N ATOM 850 CA SER A 56 2.762 -2.727 7.910 1.00 0.00 C ATOM 851 C SER A 56 3.085 -2.015 9.220 1.00 0.00 C ATOM 852 O SER A 56 2.227 -1.877 10.091 1.00 0.00 O ATOM 853 CB SER A 56 2.273 -4.148 8.195 1.00 0.00 C ATOM 854 OG SER A 56 1.490 -4.191 9.376 1.00 0.00 O ATOM 0 H SER A 56 4.457 -3.630 7.070 1.00 0.00 H new ATOM 0 HA SER A 56 1.972 -2.174 7.402 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.685 -4.509 7.352 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.128 -4.816 8.297 1.00 0.00 H new ATOM 0 HG SER A 56 1.275 -3.278 9.659 1.00 0.00 H new ATOM 860 N ASN A 57 4.328 -1.566 9.351 1.00 0.00 N ATOM 861 CA ASN A 57 4.766 -0.869 10.555 1.00 0.00 C ATOM 862 C ASN A 57 4.582 0.639 10.408 1.00 0.00 C ATOM 863 O ASN A 57 4.446 1.357 11.398 1.00 0.00 O ATOM 864 CB ASN A 57 6.234 -1.188 10.849 1.00 0.00 C ATOM 865 CG ASN A 57 6.783 -0.372 12.003 1.00 0.00 C ATOM 866 OD1 ASN A 57 6.177 -0.304 13.073 1.00 0.00 O ATOM 867 ND2 ASN A 57 7.935 0.253 11.791 1.00 0.00 N ATOM 0 H ASN A 57 5.050 -1.672 8.639 1.00 0.00 H new ATOM 0 HA ASN A 57 4.152 -1.213 11.387 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.334 -2.249 11.078 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.830 -0.997 9.957 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.353 0.818 12.531 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.402 0.169 10.888 1.00 0.00 H new ATOM 874 N TYR A 58 4.578 1.110 9.166 1.00 0.00 N ATOM 875 CA TYR A 58 4.413 2.532 8.889 1.00 0.00 C ATOM 876 C TYR A 58 2.937 2.891 8.747 1.00 0.00 C ATOM 877 O TYR A 58 2.471 3.887 9.302 1.00 0.00 O ATOM 878 CB TYR A 58 5.167 2.916 7.615 1.00 0.00 C ATOM 879 CG TYR A 58 6.616 3.277 7.854 1.00 0.00 C ATOM 880 CD1 TYR A 58 7.599 2.296 7.896 1.00 0.00 C ATOM 881 CD2 TYR A 58 7.001 4.599 8.039 1.00 0.00 C ATOM 882 CE1 TYR A 58 8.923 2.622 8.115 1.00 0.00 C ATOM 883 CE2 TYR A 58 8.323 4.934 8.257 1.00 0.00 C ATOM 884 CZ TYR A 58 9.281 3.942 8.295 1.00 0.00 C ATOM 885 OH TYR A 58 10.599 4.270 8.512 1.00 0.00 O ATOM 0 H TYR A 58 4.687 0.528 8.335 1.00 0.00 H new ATOM 0 HA TYR A 58 4.826 3.090 9.729 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.120 2.085 6.911 1.00 0.00 H new ATOM 0 HB3 TYR A 58 4.663 3.761 7.146 1.00 0.00 H new ATOM 0 HD1 TYR A 58 7.323 1.261 7.755 1.00 0.00 H new ATOM 0 HD2 TYR A 58 6.254 5.378 8.012 1.00 0.00 H new ATOM 0 HE1 TYR A 58 9.675 1.847 8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 58 8.605 5.967 8.397 1.00 0.00 H new ATOM 0 HH TYR A 58 10.681 5.241 8.618 1.00 0.00 H new ATOM 895 N VAL A 59 2.204 2.071 8.000 1.00 0.00 N ATOM 896 CA VAL A 59 0.780 2.299 7.785 1.00 0.00 C ATOM 897 C VAL A 59 -0.058 1.543 8.810 1.00 0.00 C ATOM 898 O VAL A 59 0.415 0.594 9.435 1.00 0.00 O ATOM 899 CB VAL A 59 0.350 1.871 6.369 1.00 0.00 C ATOM 900 CG1 VAL A 59 1.330 2.397 5.332 1.00 0.00 C ATOM 901 CG2 VAL A 59 0.232 0.357 6.284 1.00 0.00 C ATOM 0 H VAL A 59 2.573 1.243 7.533 1.00 0.00 H new ATOM 0 HA VAL A 59 0.610 3.370 7.899 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.629 2.301 6.159 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.010 2.085 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.360 3.486 5.379 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.324 1.998 5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.073 0.072 5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.196 -0.097 6.514 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.512 0.009 7.000 1.00 0.00 H new ATOM 911 N ALA A 60 -1.306 1.970 8.976 1.00 0.00 N ATOM 912 CA ALA A 60 -2.212 1.331 9.923 1.00 0.00 C ATOM 913 C ALA A 60 -3.664 1.495 9.489 1.00 0.00 C ATOM 914 O ALA A 60 -4.041 2.523 8.928 1.00 0.00 O ATOM 915 CB ALA A 60 -2.008 1.905 11.317 1.00 0.00 C ATOM 0 H ALA A 60 -1.712 2.755 8.467 1.00 0.00 H new ATOM 0 HA ALA A 60 -1.984 0.265 9.944 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -2.691 1.419 12.014 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.980 1.731 11.635 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -2.207 2.977 11.302 1.00 0.00 H new ATOM 921 N GLU A 61 -4.474 0.473 9.751 1.00 0.00 N ATOM 922 CA GLU A 61 -5.885 0.505 9.385 1.00 0.00 C ATOM 923 C GLU A 61 -6.547 1.787 9.881 1.00 0.00 C ATOM 924 O GLU A 61 -6.724 1.981 11.083 1.00 0.00 O ATOM 925 CB GLU A 61 -6.612 -0.713 9.961 1.00 0.00 C ATOM 926 CG GLU A 61 -8.117 -0.675 9.758 1.00 0.00 C ATOM 927 CD GLU A 61 -8.779 -2.006 10.058 1.00 0.00 C ATOM 928 OE1 GLU A 61 -8.862 -2.372 11.249 1.00 0.00 O ATOM 929 OE2 GLU A 61 -9.214 -2.681 9.102 1.00 0.00 O ATOM 0 H GLU A 61 -4.177 -0.386 10.215 1.00 0.00 H new ATOM 0 HA GLU A 61 -5.952 0.479 8.297 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.214 -1.616 9.498 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.399 -0.782 11.028 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.547 0.094 10.400 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -8.334 -0.389 8.729 1.00 0.00 H new