USER MOD reduce.3.24.130724 H: found=0, std=0, add=508, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 509 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 77 ASN : amide:sc= 0.49 K(o=1,f=-2.9!) USER MOD Set 1.2: A 78 SER OG : rot 52:sc= 0.553 USER MOD Set 2.1: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 37 SER OG : rot 139:sc= 0.491 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.32) USER MOD Single : A 13 ASN : amide:sc= -0.503 K(o=-0.5,f=-3.5!) USER MOD Single : A 17 LYS NZ :NH3+ -136:sc= -0.807 (180deg=-2.47!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 150:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 59:sc= 0.844 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.159 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.058) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -76:sc= 0.8 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0.018 USER MOD Single : A 68 SER OG : rot -123:sc= 1.21 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -0.331 K(o=-0.33,f=1.2) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 5.601 -9.286 -5.064 1.00 2.42 N ATOM 53 CA GLU A 5 5.165 -10.362 -5.945 1.00 34.42 C ATOM 54 C GLU A 5 6.359 -11.159 -6.463 1.00 55.14 C ATOM 55 O GLU A 5 6.997 -10.774 -7.443 1.00 63.51 O ATOM 56 CB GLU A 5 4.365 -9.797 -7.121 1.00 3.14 C ATOM 57 CG GLU A 5 4.063 -10.822 -8.200 1.00 72.42 C ATOM 58 CD GLU A 5 4.836 -10.568 -9.480 1.00 12.14 C ATOM 59 OE1 GLU A 5 4.722 -9.452 -10.029 1.00 2.24 O ATOM 60 OE2 GLU A 5 5.554 -11.484 -9.932 1.00 13.10 O ATOM 0 HA GLU A 5 4.526 -11.031 -5.369 1.00 34.42 H new ATOM 0 HB2 GLU A 5 3.426 -9.388 -6.748 1.00 3.14 H new ATOM 0 HB3 GLU A 5 4.920 -8.970 -7.563 1.00 3.14 H new ATOM 0 HG2 GLU A 5 4.303 -11.818 -7.827 1.00 72.42 H new ATOM 0 HG3 GLU A 5 2.995 -10.811 -8.417 1.00 72.42 H new ATOM 67 N VAL A 6 6.654 -12.271 -5.798 1.00 63.12 N ATOM 68 CA VAL A 6 7.771 -13.123 -6.191 1.00 54.21 C ATOM 69 C VAL A 6 7.286 -14.506 -6.609 1.00 75.35 C ATOM 70 O VAL A 6 6.400 -15.082 -5.976 1.00 64.43 O ATOM 71 CB VAL A 6 8.792 -13.273 -5.048 1.00 14.13 C ATOM 72 CG1 VAL A 6 9.112 -11.918 -4.436 1.00 54.50 C ATOM 73 CG2 VAL A 6 8.270 -14.234 -3.991 1.00 35.34 C ATOM 0 H VAL A 6 6.136 -12.603 -4.985 1.00 63.12 H new ATOM 0 HA VAL A 6 8.255 -12.639 -7.039 1.00 54.21 H new ATOM 0 HB VAL A 6 9.713 -13.686 -5.459 1.00 14.13 H new ATOM 0 HG11 VAL A 6 9.835 -12.044 -3.630 1.00 54.50 H new ATOM 0 HG12 VAL A 6 9.531 -11.263 -5.200 1.00 54.50 H new ATOM 0 HG13 VAL A 6 8.200 -11.474 -4.038 1.00 54.50 H new ATOM 0 HG21 VAL A 6 9.004 -14.328 -3.191 1.00 35.34 H new ATOM 0 HG22 VAL A 6 7.335 -13.852 -3.582 1.00 35.34 H new ATOM 0 HG23 VAL A 6 8.097 -15.211 -4.442 1.00 35.34 H new ATOM 83 N ILE A 7 7.871 -15.034 -7.679 1.00 41.01 N ATOM 84 CA ILE A 7 7.499 -16.351 -8.181 1.00 65.00 C ATOM 85 C ILE A 7 8.490 -17.415 -7.720 1.00 45.44 C ATOM 86 O ILE A 7 9.638 -17.443 -8.164 1.00 44.22 O ATOM 87 CB ILE A 7 7.425 -16.367 -9.719 1.00 51.23 C ATOM 88 CG1 ILE A 7 7.250 -17.799 -10.228 1.00 54.15 C ATOM 89 CG2 ILE A 7 8.674 -15.736 -10.317 1.00 13.44 C ATOM 90 CD1 ILE A 7 7.030 -17.886 -11.722 1.00 73.45 C ATOM 0 H ILE A 7 8.604 -14.570 -8.215 1.00 41.01 H new ATOM 0 HA ILE A 7 6.513 -16.576 -7.776 1.00 65.00 H new ATOM 0 HB ILE A 7 6.561 -15.781 -10.032 1.00 51.23 H new ATOM 0 HG12 ILE A 7 8.134 -18.380 -9.964 1.00 54.15 H new ATOM 0 HG13 ILE A 7 6.403 -18.257 -9.717 1.00 54.15 H new ATOM 0 HG21 ILE A 7 8.606 -15.755 -11.405 1.00 13.44 H new ATOM 0 HG22 ILE A 7 8.759 -14.704 -9.977 1.00 13.44 H new ATOM 0 HG23 ILE A 7 9.553 -16.296 -9.998 1.00 13.44 H new ATOM 0 HD11 ILE A 7 6.914 -18.930 -12.012 1.00 73.45 H new ATOM 0 HD12 ILE A 7 6.130 -17.333 -11.990 1.00 73.45 H new ATOM 0 HD13 ILE A 7 7.887 -17.458 -12.242 1.00 73.45 H new ATOM 102 N VAL A 8 8.038 -18.290 -6.828 1.00 64.01 N ATOM 103 CA VAL A 8 8.884 -19.358 -6.309 1.00 30.31 C ATOM 104 C VAL A 8 8.258 -20.726 -6.559 1.00 50.44 C ATOM 105 O VAL A 8 7.052 -20.837 -6.782 1.00 1.42 O ATOM 106 CB VAL A 8 9.137 -19.190 -4.799 1.00 34.42 C ATOM 107 CG1 VAL A 8 9.290 -17.720 -4.443 1.00 44.52 C ATOM 108 CG2 VAL A 8 8.011 -19.826 -3.997 1.00 23.52 C ATOM 0 H VAL A 8 7.091 -18.280 -6.450 1.00 64.01 H new ATOM 0 HA VAL A 8 9.835 -19.294 -6.839 1.00 30.31 H new ATOM 0 HB VAL A 8 10.067 -19.699 -4.545 1.00 34.42 H new ATOM 0 HG11 VAL A 8 9.468 -17.622 -3.372 1.00 44.52 H new ATOM 0 HG12 VAL A 8 10.133 -17.299 -4.991 1.00 44.52 H new ATOM 0 HG13 VAL A 8 8.379 -17.184 -4.710 1.00 44.52 H new ATOM 0 HG21 VAL A 8 8.206 -19.698 -2.932 1.00 23.52 H new ATOM 0 HG22 VAL A 8 7.066 -19.347 -4.253 1.00 23.52 H new ATOM 0 HG23 VAL A 8 7.954 -20.889 -4.230 1.00 23.52 H new ATOM 118 N TYR A 9 9.085 -21.764 -6.521 1.00 71.53 N ATOM 119 CA TYR A 9 8.613 -23.126 -6.746 1.00 51.41 C ATOM 120 C TYR A 9 8.697 -23.950 -5.465 1.00 15.20 C ATOM 121 O TYR A 9 9.659 -23.841 -4.706 1.00 63.15 O ATOM 122 CB TYR A 9 9.431 -23.796 -7.851 1.00 44.41 C ATOM 123 CG TYR A 9 9.064 -23.333 -9.243 1.00 14.54 C ATOM 124 CD1 TYR A 9 9.155 -21.992 -9.596 1.00 54.24 C ATOM 125 CD2 TYR A 9 8.624 -24.235 -10.203 1.00 42.02 C ATOM 126 CE1 TYR A 9 8.819 -21.564 -10.866 1.00 51.23 C ATOM 127 CE2 TYR A 9 8.288 -23.816 -11.476 1.00 31.21 C ATOM 128 CZ TYR A 9 8.387 -22.480 -11.803 1.00 13.24 C ATOM 129 OH TYR A 9 8.051 -22.058 -13.069 1.00 22.51 O ATOM 0 H TYR A 9 10.085 -21.689 -6.337 1.00 71.53 H new ATOM 0 HA TYR A 9 7.569 -23.075 -7.056 1.00 51.41 H new ATOM 0 HB2 TYR A 9 10.489 -23.598 -7.679 1.00 44.41 H new ATOM 0 HB3 TYR A 9 9.294 -24.876 -7.789 1.00 44.41 H new ATOM 0 HD1 TYR A 9 9.494 -21.272 -8.865 1.00 54.24 H new ATOM 0 HD2 TYR A 9 8.543 -25.282 -9.950 1.00 42.02 H new ATOM 0 HE1 TYR A 9 8.894 -20.518 -11.124 1.00 51.23 H new ATOM 0 HE2 TYR A 9 7.950 -24.531 -12.211 1.00 31.21 H new ATOM 0 HH TYR A 9 7.768 -22.827 -13.606 1.00 22.51 H new ATOM 139 N GLU A 10 7.680 -24.774 -5.232 1.00 61.41 N ATOM 140 CA GLU A 10 7.638 -25.617 -4.043 1.00 61.30 C ATOM 141 C GLU A 10 8.068 -27.044 -4.372 1.00 60.00 C ATOM 142 O GLU A 10 7.638 -27.999 -3.724 1.00 40.02 O ATOM 143 CB GLU A 10 6.230 -25.623 -3.444 1.00 1.51 C ATOM 144 CG GLU A 10 6.185 -26.092 -2.000 1.00 30.14 C ATOM 145 CD GLU A 10 6.399 -24.962 -1.012 1.00 12.33 C ATOM 146 OE1 GLU A 10 7.524 -24.423 -0.961 1.00 12.54 O ATOM 147 OE2 GLU A 10 5.440 -24.616 -0.290 1.00 31.32 O ATOM 0 H GLU A 10 6.875 -24.876 -5.850 1.00 61.41 H new ATOM 0 HA GLU A 10 8.334 -25.205 -3.313 1.00 61.30 H new ATOM 0 HB2 GLU A 10 5.815 -24.617 -3.504 1.00 1.51 H new ATOM 0 HB3 GLU A 10 5.591 -26.268 -4.047 1.00 1.51 H new ATOM 0 HG2 GLU A 10 5.221 -26.563 -1.805 1.00 30.14 H new ATOM 0 HG3 GLU A 10 6.949 -26.854 -1.846 1.00 30.14 H new ATOM 154 N HIS A 11 8.919 -27.181 -5.384 1.00 2.11 N ATOM 155 CA HIS A 11 9.408 -28.491 -5.800 1.00 10.31 C ATOM 156 C HIS A 11 10.287 -28.373 -7.042 1.00 32.45 C ATOM 157 O HIS A 11 10.655 -27.273 -7.452 1.00 40.23 O ATOM 158 CB HIS A 11 8.235 -29.431 -6.078 1.00 22.41 C ATOM 159 CG HIS A 11 8.211 -30.637 -5.190 1.00 63.51 C ATOM 160 ND1 HIS A 11 9.352 -31.308 -4.800 1.00 54.15 N ATOM 161 CD2 HIS A 11 7.176 -31.292 -4.614 1.00 23.21 C ATOM 162 CE1 HIS A 11 9.019 -32.324 -4.024 1.00 52.15 C ATOM 163 NE2 HIS A 11 7.704 -32.336 -3.895 1.00 64.31 N ATOM 0 H HIS A 11 9.284 -26.401 -5.931 1.00 2.11 H new ATOM 0 HA HIS A 11 10.009 -28.902 -4.989 1.00 10.31 H new ATOM 0 HB2 HIS A 11 7.302 -28.881 -5.955 1.00 22.41 H new ATOM 0 HB3 HIS A 11 8.279 -29.756 -7.117 1.00 22.41 H new ATOM 0 HD2 HIS A 11 6.130 -31.040 -4.703 1.00 23.21 H new ATOM 0 HE1 HIS A 11 9.705 -33.025 -3.572 1.00 52.15 H new ATOM 0 HE2 HIS A 11 7.168 -33.011 -3.350 1.00 64.31 H new ATOM 171 N VAL A 12 10.620 -29.515 -7.635 1.00 23.33 N ATOM 172 CA VAL A 12 11.456 -29.541 -8.829 1.00 54.45 C ATOM 173 C VAL A 12 10.773 -28.830 -9.993 1.00 33.04 C ATOM 174 O VAL A 12 9.551 -28.693 -10.018 1.00 15.43 O ATOM 175 CB VAL A 12 11.791 -30.984 -9.250 1.00 33.15 C ATOM 176 CG1 VAL A 12 12.894 -30.993 -10.297 1.00 32.22 C ATOM 177 CG2 VAL A 12 12.188 -31.813 -8.037 1.00 42.42 C ATOM 0 H VAL A 12 10.323 -30.434 -7.308 1.00 23.33 H new ATOM 0 HA VAL A 12 12.380 -29.020 -8.579 1.00 54.45 H new ATOM 0 HB VAL A 12 10.901 -31.431 -9.692 1.00 33.15 H new ATOM 0 HG11 VAL A 12 13.117 -32.021 -10.582 1.00 32.22 H new ATOM 0 HG12 VAL A 12 12.567 -30.436 -11.175 1.00 32.22 H new ATOM 0 HG13 VAL A 12 13.790 -30.528 -9.886 1.00 32.22 H new ATOM 0 HG21 VAL A 12 12.422 -32.830 -8.352 1.00 42.42 H new ATOM 0 HG22 VAL A 12 13.064 -31.369 -7.564 1.00 42.42 H new ATOM 0 HG23 VAL A 12 11.363 -31.834 -7.325 1.00 42.42 H new ATOM 187 N ASN A 13 11.571 -28.380 -10.955 1.00 63.32 N ATOM 188 CA ASN A 13 11.044 -27.683 -12.122 1.00 72.25 C ATOM 189 C ASN A 13 10.566 -28.675 -13.179 1.00 24.12 C ATOM 190 O ASN A 13 10.994 -28.624 -14.332 1.00 71.02 O ATOM 191 CB ASN A 13 12.111 -26.762 -12.717 1.00 54.33 C ATOM 192 CG ASN A 13 13.440 -27.465 -12.909 1.00 5.11 C ATOM 193 OD1 ASN A 13 13.495 -28.687 -13.049 1.00 14.21 O ATOM 194 ND2 ASN A 13 14.522 -26.694 -12.915 1.00 53.15 N ATOM 0 H ASN A 13 12.586 -28.486 -10.950 1.00 63.32 H new ATOM 0 HA ASN A 13 10.193 -27.083 -11.801 1.00 72.25 H new ATOM 0 HB2 ASN A 13 11.763 -26.380 -13.677 1.00 54.33 H new ATOM 0 HB3 ASN A 13 12.250 -25.901 -12.063 1.00 54.33 H new ATOM 0 HD21 ASN A 13 15.445 -27.111 -13.039 1.00 53.15 H new ATOM 0 HD22 ASN A 13 14.430 -25.685 -12.796 1.00 53.15 H new ATOM 201 N PHE A 14 9.677 -29.577 -12.777 1.00 11.14 N ATOM 202 CA PHE A 14 9.141 -30.581 -13.688 1.00 20.31 C ATOM 203 C PHE A 14 8.095 -31.446 -12.990 1.00 24.20 C ATOM 204 O PHE A 14 7.892 -32.605 -13.349 1.00 65.22 O ATOM 205 CB PHE A 14 10.269 -31.462 -14.230 1.00 75.20 C ATOM 206 CG PHE A 14 10.586 -32.638 -13.351 1.00 5.43 C ATOM 207 CD1 PHE A 14 10.741 -32.475 -11.983 1.00 62.15 C ATOM 208 CD2 PHE A 14 10.731 -33.905 -13.892 1.00 21.15 C ATOM 209 CE1 PHE A 14 11.033 -33.555 -11.171 1.00 44.23 C ATOM 210 CE2 PHE A 14 11.023 -34.988 -13.084 1.00 72.44 C ATOM 211 CZ PHE A 14 11.175 -34.813 -11.723 1.00 4.11 C ATOM 0 H PHE A 14 9.313 -29.633 -11.826 1.00 11.14 H new ATOM 0 HA PHE A 14 8.662 -30.063 -14.519 1.00 20.31 H new ATOM 0 HB2 PHE A 14 9.993 -31.823 -15.221 1.00 75.20 H new ATOM 0 HB3 PHE A 14 11.167 -30.856 -14.350 1.00 75.20 H new ATOM 0 HD1 PHE A 14 10.632 -31.493 -11.547 1.00 62.15 H new ATOM 0 HD2 PHE A 14 10.615 -34.048 -14.956 1.00 21.15 H new ATOM 0 HE1 PHE A 14 11.150 -33.415 -10.106 1.00 44.23 H new ATOM 0 HE2 PHE A 14 11.132 -35.971 -13.517 1.00 72.44 H new ATOM 0 HZ PHE A 14 11.405 -35.658 -11.091 1.00 4.11 H new ATOM 221 N GLY A 15 7.434 -30.873 -11.989 1.00 24.03 N ATOM 222 CA GLY A 15 6.418 -31.605 -11.255 1.00 65.12 C ATOM 223 C GLY A 15 6.197 -31.051 -9.862 1.00 21.12 C ATOM 224 O GLY A 15 6.122 -31.804 -8.892 1.00 15.24 O ATOM 0 H GLY A 15 7.584 -29.915 -11.673 1.00 24.03 H new ATOM 0 HA2 GLY A 15 5.480 -31.572 -11.809 1.00 65.12 H new ATOM 0 HA3 GLY A 15 6.710 -32.653 -11.184 1.00 65.12 H new ATOM 228 N GLY A 16 6.094 -29.729 -9.761 1.00 64.14 N ATOM 229 CA GLY A 16 5.883 -29.097 -8.472 1.00 64.31 C ATOM 230 C GLY A 16 4.947 -27.908 -8.555 1.00 62.15 C ATOM 231 O GLY A 16 4.545 -27.500 -9.645 1.00 43.52 O ATOM 0 H GLY A 16 6.153 -29.085 -10.549 1.00 64.14 H new ATOM 0 HA2 GLY A 16 5.475 -29.829 -7.775 1.00 64.31 H new ATOM 0 HA3 GLY A 16 6.842 -28.773 -8.069 1.00 64.31 H new ATOM 235 N LYS A 17 4.597 -27.351 -7.401 1.00 51.12 N ATOM 236 CA LYS A 17 3.701 -26.201 -7.347 1.00 25.44 C ATOM 237 C LYS A 17 4.480 -24.898 -7.494 1.00 12.10 C ATOM 238 O LYS A 17 5.617 -24.788 -7.036 1.00 42.03 O ATOM 239 CB LYS A 17 2.924 -26.197 -6.029 1.00 34.13 C ATOM 240 CG LYS A 17 2.129 -24.924 -5.796 1.00 12.13 C ATOM 241 CD LYS A 17 2.847 -23.985 -4.841 1.00 20.12 C ATOM 242 CE LYS A 17 2.657 -24.410 -3.393 1.00 34.22 C ATOM 243 NZ LYS A 17 3.688 -23.814 -2.499 1.00 41.15 N ATOM 0 H LYS A 17 4.920 -27.677 -6.490 1.00 51.12 H new ATOM 0 HA LYS A 17 2.998 -26.279 -8.176 1.00 25.44 H new ATOM 0 HB2 LYS A 17 2.243 -27.048 -6.016 1.00 34.13 H new ATOM 0 HB3 LYS A 17 3.623 -26.335 -5.204 1.00 34.13 H new ATOM 0 HG2 LYS A 17 1.962 -24.419 -6.747 1.00 12.13 H new ATOM 0 HG3 LYS A 17 1.148 -25.175 -5.392 1.00 12.13 H new ATOM 0 HD2 LYS A 17 3.911 -23.966 -5.079 1.00 20.12 H new ATOM 0 HD3 LYS A 17 2.472 -22.971 -4.976 1.00 20.12 H new ATOM 0 HE2 LYS A 17 1.665 -24.110 -3.054 1.00 34.22 H new ATOM 0 HE3 LYS A 17 2.702 -25.497 -3.325 1.00 34.22 H new ATOM 0 HZ1 LYS A 17 4.040 -24.540 -1.843 1.00 41.15 H new ATOM 0 HZ2 LYS A 17 4.478 -23.453 -3.072 1.00 41.15 H new ATOM 0 HZ3 LYS A 17 3.268 -23.032 -1.957 1.00 41.15 H new ATOM 257 N SER A 18 3.859 -23.912 -8.134 1.00 70.32 N ATOM 258 CA SER A 18 4.495 -22.617 -8.344 1.00 12.14 C ATOM 259 C SER A 18 3.722 -21.511 -7.632 1.00 14.21 C ATOM 260 O SER A 18 2.563 -21.690 -7.257 1.00 33.12 O ATOM 261 CB SER A 18 4.590 -22.307 -9.839 1.00 30.42 C ATOM 262 OG SER A 18 3.419 -22.722 -10.521 1.00 22.21 O ATOM 0 H SER A 18 2.916 -23.986 -8.516 1.00 70.32 H new ATOM 0 HA SER A 18 5.500 -22.662 -7.926 1.00 12.14 H new ATOM 0 HB2 SER A 18 4.739 -21.237 -9.983 1.00 30.42 H new ATOM 0 HB3 SER A 18 5.459 -22.809 -10.263 1.00 30.42 H new ATOM 0 HG SER A 18 3.504 -22.511 -11.474 1.00 22.21 H new ATOM 268 N PHE A 19 4.372 -20.366 -7.449 1.00 72.34 N ATOM 269 CA PHE A 19 3.747 -19.230 -6.782 1.00 20.21 C ATOM 270 C PHE A 19 3.663 -18.028 -7.718 1.00 62.22 C ATOM 271 O PHE A 19 4.621 -17.708 -8.422 1.00 61.12 O ATOM 272 CB PHE A 19 4.532 -18.856 -5.523 1.00 20.51 C ATOM 273 CG PHE A 19 3.885 -19.327 -4.252 1.00 2.15 C ATOM 274 CD1 PHE A 19 3.203 -20.532 -4.211 1.00 23.44 C ATOM 275 CD2 PHE A 19 3.960 -18.564 -3.097 1.00 74.03 C ATOM 276 CE1 PHE A 19 2.607 -20.967 -3.042 1.00 74.02 C ATOM 277 CE2 PHE A 19 3.365 -18.994 -1.926 1.00 2.22 C ATOM 278 CZ PHE A 19 2.689 -20.198 -1.898 1.00 53.51 C ATOM 0 H PHE A 19 5.331 -20.201 -7.753 1.00 72.34 H new ATOM 0 HA PHE A 19 2.735 -19.519 -6.499 1.00 20.21 H new ATOM 0 HB2 PHE A 19 5.534 -19.280 -5.590 1.00 20.51 H new ATOM 0 HB3 PHE A 19 4.646 -17.773 -5.484 1.00 20.51 H new ATOM 0 HD1 PHE A 19 3.136 -21.138 -5.102 1.00 23.44 H new ATOM 0 HD2 PHE A 19 4.489 -17.623 -3.112 1.00 74.03 H new ATOM 0 HE1 PHE A 19 2.077 -21.908 -3.023 1.00 74.02 H new ATOM 0 HE2 PHE A 19 3.429 -18.389 -1.034 1.00 2.22 H new ATOM 0 HZ PHE A 19 2.226 -20.537 -0.983 1.00 53.51 H new ATOM 288 N ASP A 20 2.511 -17.367 -7.721 1.00 31.24 N ATOM 289 CA ASP A 20 2.301 -16.200 -8.569 1.00 73.13 C ATOM 290 C ASP A 20 1.369 -15.198 -7.894 1.00 45.13 C ATOM 291 O ASP A 20 0.487 -14.627 -8.535 1.00 5.45 O ATOM 292 CB ASP A 20 1.722 -16.623 -9.920 1.00 71.04 C ATOM 293 CG ASP A 20 0.542 -17.564 -9.776 1.00 11.22 C ATOM 294 OD1 ASP A 20 -0.215 -17.419 -8.793 1.00 63.11 O ATOM 295 OD2 ASP A 20 0.375 -18.445 -10.645 1.00 24.31 O ATOM 0 H ASP A 20 1.708 -17.620 -7.145 1.00 31.24 H new ATOM 0 HA ASP A 20 3.266 -15.720 -8.730 1.00 73.13 H new ATOM 0 HB2 ASP A 20 1.410 -15.736 -10.472 1.00 71.04 H new ATOM 0 HB3 ASP A 20 2.500 -17.108 -10.509 1.00 71.04 H new ATOM 473 N LYS A 35 14.210 -30.179 1.720 1.00 12.13 N ATOM 474 CA LYS A 35 14.433 -28.994 0.900 1.00 73.42 C ATOM 475 C LYS A 35 14.790 -29.383 -0.531 1.00 72.23 C ATOM 476 O LYS A 35 15.791 -30.060 -0.769 1.00 34.21 O ATOM 477 CB LYS A 35 15.548 -28.136 1.500 1.00 43.43 C ATOM 478 CG LYS A 35 15.602 -26.727 0.934 1.00 3.14 C ATOM 479 CD LYS A 35 14.312 -25.970 1.200 1.00 1.52 C ATOM 480 CE LYS A 35 13.499 -25.790 -0.073 1.00 10.25 C ATOM 481 NZ LYS A 35 13.811 -24.503 -0.753 1.00 43.41 N ATOM 0 HA LYS A 35 13.509 -28.416 0.881 1.00 73.42 H new ATOM 0 HB2 LYS A 35 15.411 -28.080 2.580 1.00 43.43 H new ATOM 0 HB3 LYS A 35 16.506 -28.626 1.325 1.00 43.43 H new ATOM 0 HG2 LYS A 35 16.439 -26.188 1.377 1.00 3.14 H new ATOM 0 HG3 LYS A 35 15.784 -26.772 -0.140 1.00 3.14 H new ATOM 0 HD2 LYS A 35 13.719 -26.509 1.939 1.00 1.52 H new ATOM 0 HD3 LYS A 35 14.543 -24.994 1.627 1.00 1.52 H new ATOM 0 HE2 LYS A 35 13.701 -26.618 -0.753 1.00 10.25 H new ATOM 0 HE3 LYS A 35 12.436 -25.826 0.167 1.00 10.25 H new ATOM 0 HZ1 LYS A 35 13.237 -24.418 -1.616 1.00 43.41 H new ATOM 0 HZ2 LYS A 35 13.595 -23.711 -0.114 1.00 43.41 H new ATOM 0 HZ3 LYS A 35 14.820 -24.479 -1.005 1.00 43.41 H new ATOM 495 N ILE A 36 13.967 -28.950 -1.480 1.00 72.02 N ATOM 496 CA ILE A 36 14.198 -29.251 -2.887 1.00 62.14 C ATOM 497 C ILE A 36 13.197 -28.522 -3.777 1.00 64.04 C ATOM 498 O ILE A 36 12.042 -28.931 -3.895 1.00 3.25 O ATOM 499 CB ILE A 36 14.106 -30.764 -3.162 1.00 53.31 C ATOM 500 CG1 ILE A 36 14.015 -31.026 -4.667 1.00 23.33 C ATOM 501 CG2 ILE A 36 12.906 -31.360 -2.442 1.00 31.43 C ATOM 502 CD1 ILE A 36 14.246 -32.473 -5.043 1.00 24.24 C ATOM 0 H ILE A 36 13.134 -28.389 -1.300 1.00 72.02 H new ATOM 0 HA ILE A 36 15.206 -28.908 -3.121 1.00 62.14 H new ATOM 0 HB ILE A 36 15.008 -31.244 -2.783 1.00 53.31 H new ATOM 0 HG12 ILE A 36 13.031 -30.719 -5.022 1.00 23.33 H new ATOM 0 HG13 ILE A 36 14.748 -30.404 -5.181 1.00 23.33 H new ATOM 0 HG21 ILE A 36 12.854 -32.430 -2.646 1.00 31.43 H new ATOM 0 HG22 ILE A 36 13.009 -31.199 -1.369 1.00 31.43 H new ATOM 0 HG23 ILE A 36 11.994 -30.879 -2.795 1.00 31.43 H new ATOM 0 HD11 ILE A 36 14.167 -32.585 -6.124 1.00 24.24 H new ATOM 0 HD12 ILE A 36 15.241 -32.779 -4.719 1.00 24.24 H new ATOM 0 HD13 ILE A 36 13.497 -33.099 -4.557 1.00 24.24 H new ATOM 514 N SER A 37 13.649 -27.441 -4.405 1.00 5.35 N ATOM 515 CA SER A 37 12.793 -26.653 -5.283 1.00 42.33 C ATOM 516 C SER A 37 13.614 -25.639 -6.075 1.00 74.12 C ATOM 517 O SER A 37 14.842 -25.709 -6.109 1.00 1.44 O ATOM 518 CB SER A 37 11.718 -25.931 -4.469 1.00 53.12 C ATOM 519 OG SER A 37 12.218 -24.724 -3.921 1.00 13.25 O ATOM 0 H SER A 37 14.604 -27.091 -4.322 1.00 5.35 H new ATOM 0 HA SER A 37 12.311 -27.333 -5.986 1.00 42.33 H new ATOM 0 HB2 SER A 37 10.859 -25.717 -5.105 1.00 53.12 H new ATOM 0 HB3 SER A 37 11.367 -26.580 -3.667 1.00 53.12 H new ATOM 0 HG SER A 37 11.538 -24.023 -3.998 1.00 13.25 H new ATOM 525 N SER A 38 12.924 -24.697 -6.712 1.00 25.52 N ATOM 526 CA SER A 38 13.588 -23.671 -7.507 1.00 54.13 C ATOM 527 C SER A 38 13.132 -22.278 -7.085 1.00 55.51 C ATOM 528 O SER A 38 12.014 -22.099 -6.601 1.00 14.12 O ATOM 529 CB SER A 38 13.302 -23.885 -8.995 1.00 13.40 C ATOM 530 OG SER A 38 12.797 -25.187 -9.235 1.00 44.15 O ATOM 0 H SER A 38 11.907 -24.624 -6.693 1.00 25.52 H new ATOM 0 HA SER A 38 14.661 -23.750 -7.335 1.00 54.13 H new ATOM 0 HB2 SER A 38 12.582 -23.143 -9.341 1.00 13.40 H new ATOM 0 HB3 SER A 38 14.216 -23.734 -9.570 1.00 13.40 H new ATOM 0 HG SER A 38 12.198 -25.168 -10.011 1.00 44.15 H new ATOM 536 N ILE A 39 14.005 -21.294 -7.273 1.00 10.04 N ATOM 537 CA ILE A 39 13.692 -19.917 -6.913 1.00 5.54 C ATOM 538 C ILE A 39 13.782 -18.997 -8.126 1.00 75.52 C ATOM 539 O ILE A 39 14.701 -19.109 -8.938 1.00 32.24 O ATOM 540 CB ILE A 39 14.638 -19.393 -5.816 1.00 2.14 C ATOM 541 CG1 ILE A 39 14.108 -19.771 -4.431 1.00 72.42 C ATOM 542 CG2 ILE A 39 14.801 -17.885 -5.932 1.00 40.23 C ATOM 543 CD1 ILE A 39 13.874 -21.256 -4.259 1.00 2.12 C ATOM 0 H ILE A 39 14.934 -21.425 -7.672 1.00 10.04 H new ATOM 0 HA ILE A 39 12.670 -19.915 -6.533 1.00 5.54 H new ATOM 0 HB ILE A 39 15.616 -19.856 -5.950 1.00 2.14 H new ATOM 0 HG12 ILE A 39 14.817 -19.433 -3.675 1.00 72.42 H new ATOM 0 HG13 ILE A 39 13.173 -19.241 -4.251 1.00 72.42 H new ATOM 0 HG21 ILE A 39 15.472 -17.530 -5.150 1.00 40.23 H new ATOM 0 HG22 ILE A 39 15.219 -17.638 -6.908 1.00 40.23 H new ATOM 0 HG23 ILE A 39 13.829 -17.404 -5.821 1.00 40.23 H new ATOM 0 HD11 ILE A 39 13.499 -21.451 -3.254 1.00 2.12 H new ATOM 0 HD12 ILE A 39 13.143 -21.596 -4.992 1.00 2.12 H new ATOM 0 HD13 ILE A 39 14.812 -21.792 -4.407 1.00 2.12 H new ATOM 555 N LYS A 40 12.821 -18.087 -8.244 1.00 30.04 N ATOM 556 CA LYS A 40 12.791 -17.145 -9.356 1.00 50.11 C ATOM 557 C LYS A 40 12.430 -15.744 -8.873 1.00 0.11 C ATOM 558 O LYS A 40 11.354 -15.527 -8.315 1.00 4.31 O ATOM 559 CB LYS A 40 11.786 -17.606 -10.414 1.00 42.44 C ATOM 560 CG LYS A 40 12.205 -17.274 -11.836 1.00 65.32 C ATOM 561 CD LYS A 40 11.253 -16.281 -12.481 1.00 65.13 C ATOM 562 CE LYS A 40 11.943 -15.475 -13.571 1.00 63.12 C ATOM 563 NZ LYS A 40 11.245 -15.601 -14.881 1.00 23.45 N ATOM 0 H LYS A 40 12.052 -17.982 -7.582 1.00 30.04 H new ATOM 0 HA LYS A 40 13.786 -17.112 -9.799 1.00 50.11 H new ATOM 0 HB2 LYS A 40 11.648 -18.684 -10.327 1.00 42.44 H new ATOM 0 HB3 LYS A 40 10.820 -17.144 -10.211 1.00 42.44 H new ATOM 0 HG2 LYS A 40 13.214 -16.862 -11.832 1.00 65.32 H new ATOM 0 HG3 LYS A 40 12.236 -18.188 -12.430 1.00 65.32 H new ATOM 0 HD2 LYS A 40 10.402 -16.814 -12.905 1.00 65.13 H new ATOM 0 HD3 LYS A 40 10.860 -15.606 -11.721 1.00 65.13 H new ATOM 0 HE2 LYS A 40 11.980 -14.426 -13.279 1.00 63.12 H new ATOM 0 HE3 LYS A 40 12.974 -15.813 -13.675 1.00 63.12 H new ATOM 0 HZ1 LYS A 40 11.746 -15.037 -15.597 1.00 23.45 H new ATOM 0 HZ2 LYS A 40 11.232 -16.599 -15.173 1.00 23.45 H new ATOM 0 HZ3 LYS A 40 10.269 -15.255 -14.789 1.00 23.45 H new ATOM 577 N VAL A 41 13.335 -14.796 -9.092 1.00 44.53 N ATOM 578 CA VAL A 41 13.111 -13.415 -8.682 1.00 10.35 C ATOM 579 C VAL A 41 12.880 -12.513 -9.889 1.00 1.12 C ATOM 580 O VAL A 41 13.550 -12.645 -10.914 1.00 13.44 O ATOM 581 CB VAL A 41 14.300 -12.871 -7.868 1.00 45.32 C ATOM 582 CG1 VAL A 41 15.603 -13.068 -8.629 1.00 54.22 C ATOM 583 CG2 VAL A 41 14.088 -11.403 -7.531 1.00 14.25 C ATOM 0 H VAL A 41 14.231 -14.959 -9.551 1.00 44.53 H new ATOM 0 HA VAL A 41 12.219 -13.412 -8.055 1.00 10.35 H new ATOM 0 HB VAL A 41 14.364 -13.429 -6.934 1.00 45.32 H new ATOM 0 HG11 VAL A 41 16.432 -12.678 -8.038 1.00 54.22 H new ATOM 0 HG12 VAL A 41 15.759 -14.131 -8.815 1.00 54.22 H new ATOM 0 HG13 VAL A 41 15.553 -12.537 -9.580 1.00 54.22 H new ATOM 0 HG21 VAL A 41 14.938 -11.035 -6.956 1.00 14.25 H new ATOM 0 HG22 VAL A 41 13.997 -10.828 -8.452 1.00 14.25 H new ATOM 0 HG23 VAL A 41 13.177 -11.293 -6.943 1.00 14.25 H new ATOM 593 N LYS A 42 11.928 -11.595 -9.761 1.00 71.02 N ATOM 594 CA LYS A 42 11.608 -10.668 -10.841 1.00 22.34 C ATOM 595 C LYS A 42 11.381 -9.260 -10.299 1.00 70.45 C ATOM 596 O LYS A 42 10.488 -8.547 -10.756 1.00 10.53 O ATOM 597 CB LYS A 42 10.365 -11.143 -11.596 1.00 52.42 C ATOM 598 CG LYS A 42 10.458 -10.953 -13.100 1.00 53.32 C ATOM 599 CD LYS A 42 9.895 -9.608 -13.528 1.00 42.52 C ATOM 600 CE LYS A 42 10.997 -8.574 -13.708 1.00 30.43 C ATOM 601 NZ LYS A 42 10.466 -7.184 -13.660 1.00 5.34 N ATOM 0 H LYS A 42 11.364 -11.473 -8.920 1.00 71.02 H new ATOM 0 HA LYS A 42 12.454 -10.642 -11.528 1.00 22.34 H new ATOM 0 HB2 LYS A 42 10.201 -12.199 -11.381 1.00 52.42 H new ATOM 0 HB3 LYS A 42 9.495 -10.603 -11.223 1.00 52.42 H new ATOM 0 HG2 LYS A 42 11.499 -11.029 -13.414 1.00 53.32 H new ATOM 0 HG3 LYS A 42 9.914 -11.753 -13.603 1.00 53.32 H new ATOM 0 HD2 LYS A 42 9.346 -9.723 -14.463 1.00 42.52 H new ATOM 0 HD3 LYS A 42 9.183 -9.256 -12.781 1.00 42.52 H new ATOM 0 HE2 LYS A 42 11.747 -8.703 -12.928 1.00 30.43 H new ATOM 0 HE3 LYS A 42 11.497 -8.739 -14.662 1.00 30.43 H new ATOM 0 HZ1 LYS A 42 11.247 -6.509 -13.786 1.00 5.34 H new ATOM 0 HZ2 LYS A 42 9.768 -7.052 -14.420 1.00 5.34 H new ATOM 0 HZ3 LYS A 42 10.011 -7.018 -12.740 1.00 5.34 H new ATOM 615 N SER A 43 12.195 -8.867 -9.326 1.00 4.05 N ATOM 616 CA SER A 43 12.081 -7.545 -8.721 1.00 3.11 C ATOM 617 C SER A 43 13.112 -7.365 -7.610 1.00 54.32 C ATOM 618 O SER A 43 13.020 -7.991 -6.555 1.00 55.22 O ATOM 619 CB SER A 43 10.672 -7.336 -8.164 1.00 10.43 C ATOM 620 OG SER A 43 9.888 -6.547 -9.043 1.00 30.55 O ATOM 0 H SER A 43 12.941 -9.445 -8.939 1.00 4.05 H new ATOM 0 HA SER A 43 12.272 -6.801 -9.494 1.00 3.11 H new ATOM 0 HB2 SER A 43 10.191 -8.302 -8.011 1.00 10.43 H new ATOM 0 HB3 SER A 43 10.731 -6.851 -7.190 1.00 10.43 H new ATOM 0 HG SER A 43 9.829 -6.989 -9.915 1.00 30.55 H new ATOM 626 N GLY A 44 14.094 -6.503 -7.857 1.00 30.24 N ATOM 627 CA GLY A 44 15.128 -6.255 -6.869 1.00 62.23 C ATOM 628 C GLY A 44 15.854 -7.521 -6.460 1.00 23.24 C ATOM 629 O GLY A 44 16.111 -8.395 -7.288 1.00 74.43 O ATOM 0 H GLY A 44 14.192 -5.973 -8.723 1.00 30.24 H new ATOM 0 HA2 GLY A 44 15.847 -5.541 -7.271 1.00 62.23 H new ATOM 0 HA3 GLY A 44 14.681 -5.795 -5.988 1.00 62.23 H new ATOM 633 N THR A 45 16.189 -7.621 -5.177 1.00 1.01 N ATOM 634 CA THR A 45 16.893 -8.788 -4.659 1.00 54.41 C ATOM 635 C THR A 45 16.440 -9.119 -3.242 1.00 14.43 C ATOM 636 O THR A 45 15.879 -8.272 -2.546 1.00 3.14 O ATOM 637 CB THR A 45 18.418 -8.571 -4.661 1.00 14.50 C ATOM 638 OG1 THR A 45 18.745 -7.387 -3.925 1.00 52.51 O ATOM 639 CG2 THR A 45 18.946 -8.452 -6.083 1.00 34.33 C ATOM 0 H THR A 45 15.984 -6.908 -4.477 1.00 1.01 H new ATOM 0 HA THR A 45 16.651 -9.621 -5.319 1.00 54.41 H new ATOM 0 HB THR A 45 18.886 -9.434 -4.188 1.00 14.50 H new ATOM 0 HG1 THR A 45 19.716 -7.257 -3.929 1.00 52.51 H new ATOM 0 HG21 THR A 45 20.025 -8.299 -6.059 1.00 34.33 H new ATOM 0 HG22 THR A 45 18.721 -9.366 -6.632 1.00 34.33 H new ATOM 0 HG23 THR A 45 18.471 -7.605 -6.578 1.00 34.33 H new ATOM 647 N TRP A 46 16.686 -10.354 -2.820 1.00 41.45 N ATOM 648 CA TRP A 46 16.303 -10.796 -1.484 1.00 45.22 C ATOM 649 C TRP A 46 17.514 -11.313 -0.715 1.00 12.04 C ATOM 650 O TRP A 46 18.632 -11.320 -1.230 1.00 73.41 O ATOM 651 CB TRP A 46 15.235 -11.887 -1.572 1.00 41.12 C ATOM 652 CG TRP A 46 14.232 -11.650 -2.660 1.00 41.24 C ATOM 653 CD1 TRP A 46 13.658 -10.458 -3.001 1.00 22.25 C ATOM 654 CD2 TRP A 46 13.684 -12.630 -3.549 1.00 10.41 C ATOM 655 NE1 TRP A 46 12.786 -10.638 -4.047 1.00 61.21 N ATOM 656 CE2 TRP A 46 12.785 -11.961 -4.402 1.00 75.14 C ATOM 657 CE3 TRP A 46 13.867 -14.006 -3.708 1.00 52.20 C ATOM 658 CZ2 TRP A 46 12.071 -12.624 -5.397 1.00 51.24 C ATOM 659 CZ3 TRP A 46 13.158 -14.662 -4.696 1.00 34.11 C ATOM 660 CH2 TRP A 46 12.269 -13.971 -5.531 1.00 23.23 C ATOM 0 H TRP A 46 17.149 -11.067 -3.384 1.00 41.45 H new ATOM 0 HA TRP A 46 15.894 -9.940 -0.948 1.00 45.22 H new ATOM 0 HB2 TRP A 46 15.721 -12.848 -1.739 1.00 41.12 H new ATOM 0 HB3 TRP A 46 14.715 -11.954 -0.616 1.00 41.12 H new ATOM 0 HD1 TRP A 46 13.860 -9.513 -2.519 1.00 22.25 H new ATOM 0 HE1 TRP A 46 12.230 -9.905 -4.488 1.00 61.21 H new ATOM 0 HE3 TRP A 46 14.550 -14.547 -3.070 1.00 52.20 H new ATOM 0 HZ2 TRP A 46 11.385 -12.093 -6.040 1.00 51.24 H new ATOM 0 HZ3 TRP A 46 13.291 -15.726 -4.827 1.00 34.11 H new ATOM 0 HH2 TRP A 46 11.730 -14.512 -6.295 1.00 23.23 H new ATOM 671 N ARG A 47 17.284 -11.745 0.521 1.00 54.10 N ATOM 672 CA ARG A 47 18.356 -12.263 1.361 1.00 3.05 C ATOM 673 C ARG A 47 17.950 -13.584 2.009 1.00 42.33 C ATOM 674 O ARG A 47 17.017 -13.633 2.811 1.00 64.22 O ATOM 675 CB ARG A 47 18.723 -11.245 2.442 1.00 2.54 C ATOM 676 CG ARG A 47 19.186 -9.907 1.887 1.00 31.35 C ATOM 677 CD ARG A 47 18.062 -8.883 1.894 1.00 43.32 C ATOM 678 NE ARG A 47 18.394 -7.712 2.702 1.00 74.03 N ATOM 679 CZ ARG A 47 17.672 -6.597 2.710 1.00 41.30 C ATOM 680 NH1 ARG A 47 16.584 -6.501 1.958 1.00 23.40 N ATOM 681 NH2 ARG A 47 18.038 -5.574 3.472 1.00 1.00 N ATOM 0 H ARG A 47 16.364 -11.746 0.962 1.00 54.10 H new ATOM 0 HA ARG A 47 19.225 -12.441 0.728 1.00 3.05 H new ATOM 0 HB2 ARG A 47 17.858 -11.082 3.085 1.00 2.54 H new ATOM 0 HB3 ARG A 47 19.512 -11.661 3.069 1.00 2.54 H new ATOM 0 HG2 ARG A 47 20.022 -9.536 2.480 1.00 31.35 H new ATOM 0 HG3 ARG A 47 19.552 -10.041 0.869 1.00 31.35 H new ATOM 0 HD2 ARG A 47 17.850 -8.570 0.872 1.00 43.32 H new ATOM 0 HD3 ARG A 47 17.153 -9.345 2.281 1.00 43.32 H new ATOM 0 HE ARG A 47 19.225 -7.753 3.292 1.00 74.03 H new ATOM 0 HH11 ARG A 47 16.299 -7.285 1.371 1.00 23.40 H new ATOM 0 HH12 ARG A 47 16.032 -5.643 1.967 1.00 23.40 H new ATOM 0 HH21 ARG A 47 18.874 -5.644 4.052 1.00 1.00 H new ATOM 0 HH22 ARG A 47 17.483 -4.718 3.478 1.00 1.00 H new ATOM 695 N PHE A 48 18.656 -14.652 1.654 1.00 25.24 N ATOM 696 CA PHE A 48 18.369 -15.974 2.199 1.00 12.12 C ATOM 697 C PHE A 48 19.351 -16.329 3.311 1.00 23.33 C ATOM 698 O PHE A 48 20.566 -16.247 3.131 1.00 44.11 O ATOM 699 CB PHE A 48 18.430 -17.029 1.093 1.00 72.20 C ATOM 700 CG PHE A 48 17.081 -17.415 0.558 1.00 75.32 C ATOM 701 CD1 PHE A 48 16.367 -18.458 1.127 1.00 2.23 C ATOM 702 CD2 PHE A 48 16.525 -16.735 -0.514 1.00 62.52 C ATOM 703 CE1 PHE A 48 15.126 -18.816 0.636 1.00 12.52 C ATOM 704 CE2 PHE A 48 15.284 -17.088 -1.009 1.00 70.53 C ATOM 705 CZ PHE A 48 14.583 -18.129 -0.433 1.00 30.34 C ATOM 0 H PHE A 48 19.431 -14.628 0.991 1.00 25.24 H new ATOM 0 HA PHE A 48 17.363 -15.956 2.619 1.00 12.12 H new ATOM 0 HB2 PHE A 48 19.042 -16.651 0.274 1.00 72.20 H new ATOM 0 HB3 PHE A 48 18.928 -17.919 1.478 1.00 72.20 H new ATOM 0 HD1 PHE A 48 16.786 -18.997 1.964 1.00 2.23 H new ATOM 0 HD2 PHE A 48 17.068 -15.919 -0.968 1.00 62.52 H new ATOM 0 HE1 PHE A 48 14.581 -19.632 1.087 1.00 12.52 H new ATOM 0 HE2 PHE A 48 14.863 -16.550 -1.846 1.00 70.53 H new ATOM 0 HZ PHE A 48 13.612 -18.406 -0.817 1.00 30.34 H new ATOM 715 N TYR A 49 18.816 -16.724 4.461 1.00 21.02 N ATOM 716 CA TYR A 49 19.644 -17.089 5.604 1.00 23.23 C ATOM 717 C TYR A 49 19.071 -18.305 6.326 1.00 23.00 C ATOM 718 O TYR A 49 17.903 -18.317 6.712 1.00 71.01 O ATOM 719 CB TYR A 49 19.758 -15.913 6.575 1.00 10.40 C ATOM 720 CG TYR A 49 18.658 -14.888 6.416 1.00 51.44 C ATOM 721 CD1 TYR A 49 17.438 -15.043 7.062 1.00 32.20 C ATOM 722 CD2 TYR A 49 18.838 -13.764 5.618 1.00 20.40 C ATOM 723 CE1 TYR A 49 16.429 -14.110 6.919 1.00 44.22 C ATOM 724 CE2 TYR A 49 17.836 -12.825 5.470 1.00 31.13 C ATOM 725 CZ TYR A 49 16.633 -13.002 6.122 1.00 25.34 C ATOM 726 OH TYR A 49 15.632 -12.070 5.977 1.00 42.44 O ATOM 0 H TYR A 49 17.812 -16.800 4.626 1.00 21.02 H new ATOM 0 HA TYR A 49 20.637 -17.343 5.234 1.00 23.23 H new ATOM 0 HB2 TYR A 49 19.744 -16.293 7.596 1.00 10.40 H new ATOM 0 HB3 TYR A 49 20.722 -15.425 6.430 1.00 10.40 H new ATOM 0 HD1 TYR A 49 17.275 -15.908 7.687 1.00 32.20 H new ATOM 0 HD2 TYR A 49 19.778 -13.623 5.105 1.00 20.40 H new ATOM 0 HE1 TYR A 49 15.486 -14.247 7.428 1.00 44.22 H new ATOM 0 HE2 TYR A 49 17.993 -11.957 4.847 1.00 31.13 H new ATOM 0 HH TYR A 49 15.937 -11.352 5.384 1.00 42.44 H new ATOM 736 N GLU A 50 19.904 -19.326 6.505 1.00 51.13 N ATOM 737 CA GLU A 50 19.480 -20.547 7.180 1.00 44.11 C ATOM 738 C GLU A 50 20.012 -20.590 8.610 1.00 70.43 C ATOM 739 O GLU A 50 21.102 -21.105 8.863 1.00 15.11 O ATOM 740 CB GLU A 50 19.962 -21.777 6.407 1.00 3.34 C ATOM 741 CG GLU A 50 18.936 -22.321 5.428 1.00 32.23 C ATOM 742 CD GLU A 50 18.572 -21.321 4.348 1.00 30.12 C ATOM 743 OE1 GLU A 50 19.470 -20.580 3.898 1.00 3.44 O ATOM 744 OE2 GLU A 50 17.388 -21.281 3.953 1.00 50.43 O ATOM 0 H GLU A 50 20.875 -19.332 6.192 1.00 51.13 H new ATOM 0 HA GLU A 50 18.391 -20.553 7.215 1.00 44.11 H new ATOM 0 HB2 GLU A 50 20.871 -21.520 5.863 1.00 3.34 H new ATOM 0 HB3 GLU A 50 20.226 -22.561 7.117 1.00 3.34 H new ATOM 0 HG2 GLU A 50 19.327 -23.226 4.963 1.00 32.23 H new ATOM 0 HG3 GLU A 50 18.036 -22.606 5.972 1.00 32.23 H new ATOM 751 N TYR A 51 19.235 -20.046 9.540 1.00 63.41 N ATOM 752 CA TYR A 51 19.628 -20.020 10.944 1.00 42.22 C ATOM 753 C TYR A 51 18.636 -19.209 11.772 1.00 42.22 C ATOM 754 O TYR A 51 17.583 -18.804 11.278 1.00 44.12 O ATOM 755 CB TYR A 51 21.033 -19.432 11.091 1.00 72.21 C ATOM 756 CG TYR A 51 22.049 -20.418 11.621 1.00 62.34 C ATOM 757 CD1 TYR A 51 21.957 -20.913 12.916 1.00 44.04 C ATOM 758 CD2 TYR A 51 23.101 -20.856 10.825 1.00 22.13 C ATOM 759 CE1 TYR A 51 22.884 -21.813 13.404 1.00 63.42 C ATOM 760 CE2 TYR A 51 24.032 -21.758 11.305 1.00 50.54 C ATOM 761 CZ TYR A 51 23.920 -22.233 12.595 1.00 55.25 C ATOM 762 OH TYR A 51 24.844 -23.131 13.077 1.00 41.24 O ATOM 0 H TYR A 51 18.330 -19.617 9.347 1.00 63.41 H new ATOM 0 HA TYR A 51 19.630 -21.045 11.314 1.00 42.22 H new ATOM 0 HB2 TYR A 51 21.367 -19.065 10.121 1.00 72.21 H new ATOM 0 HB3 TYR A 51 20.990 -18.572 11.760 1.00 72.21 H new ATOM 0 HD1 TYR A 51 21.147 -20.588 13.552 1.00 44.04 H new ATOM 0 HD2 TYR A 51 23.192 -20.485 9.815 1.00 22.13 H new ATOM 0 HE1 TYR A 51 22.798 -22.186 14.414 1.00 63.42 H new ATOM 0 HE2 TYR A 51 24.843 -22.089 10.673 1.00 50.54 H new ATOM 0 HH TYR A 51 25.507 -23.324 12.381 1.00 41.24 H new ATOM 772 N ILE A 52 18.981 -18.975 13.034 1.00 73.33 N ATOM 773 CA ILE A 52 18.122 -18.211 13.931 1.00 64.45 C ATOM 774 C ILE A 52 17.839 -16.822 13.370 1.00 61.14 C ATOM 775 O ILE A 52 18.563 -16.331 12.505 1.00 64.54 O ATOM 776 CB ILE A 52 18.753 -18.070 15.328 1.00 2.44 C ATOM 777 CG1 ILE A 52 17.686 -17.691 16.357 1.00 31.44 C ATOM 778 CG2 ILE A 52 19.865 -17.032 15.305 1.00 43.33 C ATOM 779 CD1 ILE A 52 16.521 -18.656 16.403 1.00 45.23 C ATOM 0 H ILE A 52 19.849 -19.303 13.458 1.00 73.33 H new ATOM 0 HA ILE A 52 17.186 -18.762 14.018 1.00 64.45 H new ATOM 0 HB ILE A 52 19.184 -19.030 15.614 1.00 2.44 H new ATOM 0 HG12 ILE A 52 18.146 -17.642 17.344 1.00 31.44 H new ATOM 0 HG13 ILE A 52 17.312 -16.693 16.130 1.00 31.44 H new ATOM 0 HG21 ILE A 52 20.301 -16.944 16.300 1.00 43.33 H new ATOM 0 HG22 ILE A 52 20.635 -17.339 14.597 1.00 43.33 H new ATOM 0 HG23 ILE A 52 19.457 -16.068 15.001 1.00 43.33 H new ATOM 0 HD11 ILE A 52 15.804 -18.325 17.154 1.00 45.23 H new ATOM 0 HD12 ILE A 52 16.036 -18.688 15.427 1.00 45.23 H new ATOM 0 HD13 ILE A 52 16.883 -19.651 16.661 1.00 45.23 H new ATOM 791 N ASN A 53 16.781 -16.192 13.870 1.00 61.31 N ATOM 792 CA ASN A 53 16.402 -14.858 13.420 1.00 43.24 C ATOM 793 C ASN A 53 17.341 -13.802 13.997 1.00 73.35 C ATOM 794 O ASN A 53 16.900 -12.852 14.643 1.00 41.51 O ATOM 795 CB ASN A 53 14.960 -14.550 13.826 1.00 75.35 C ATOM 796 CG ASN A 53 14.318 -13.506 12.932 1.00 33.15 C ATOM 797 OD1 ASN A 53 13.767 -12.516 13.413 1.00 14.15 O ATOM 798 ND2 ASN A 53 14.386 -13.724 11.624 1.00 5.33 N ATOM 0 H ASN A 53 16.171 -16.584 14.587 1.00 61.31 H new ATOM 0 HA ASN A 53 16.479 -14.833 12.333 1.00 43.24 H new ATOM 0 HB2 ASN A 53 14.372 -15.467 13.790 1.00 75.35 H new ATOM 0 HB3 ASN A 53 14.943 -14.201 14.858 1.00 75.35 H new ATOM 0 HD21 ASN A 53 13.971 -13.057 10.974 1.00 5.33 H new ATOM 0 HD22 ASN A 53 14.853 -14.559 11.270 1.00 5.33 H new ATOM 805 N TYR A 54 18.636 -13.976 13.758 1.00 72.31 N ATOM 806 CA TYR A 54 19.637 -13.040 14.255 1.00 61.11 C ATOM 807 C TYR A 54 20.883 -13.058 13.375 1.00 4.52 C ATOM 808 O TYR A 54 21.494 -12.020 13.123 1.00 54.43 O ATOM 809 CB TYR A 54 20.013 -13.381 15.698 1.00 71.42 C ATOM 810 CG TYR A 54 18.859 -13.266 16.668 1.00 52.03 C ATOM 811 CD1 TYR A 54 18.343 -12.025 17.020 1.00 74.14 C ATOM 812 CD2 TYR A 54 18.284 -14.398 17.231 1.00 32.45 C ATOM 813 CE1 TYR A 54 17.289 -11.915 17.906 1.00 73.11 C ATOM 814 CE2 TYR A 54 17.229 -14.298 18.118 1.00 74.04 C ATOM 815 CZ TYR A 54 16.735 -13.054 18.452 1.00 60.20 C ATOM 816 OH TYR A 54 15.684 -12.949 19.334 1.00 2.12 O ATOM 0 H TYR A 54 19.017 -14.757 13.223 1.00 72.31 H new ATOM 0 HA TYR A 54 19.208 -12.039 14.226 1.00 61.11 H new ATOM 0 HB2 TYR A 54 20.405 -14.397 15.732 1.00 71.42 H new ATOM 0 HB3 TYR A 54 20.816 -12.719 16.022 1.00 71.42 H new ATOM 0 HD1 TYR A 54 18.773 -11.131 16.594 1.00 74.14 H new ATOM 0 HD2 TYR A 54 18.668 -15.373 16.971 1.00 32.45 H new ATOM 0 HE1 TYR A 54 16.901 -10.942 18.170 1.00 73.11 H new ATOM 0 HE2 TYR A 54 16.794 -15.188 18.547 1.00 74.04 H new ATOM 0 HH TYR A 54 15.410 -13.844 19.625 1.00 2.12 H new ATOM 826 N GLY A 55 21.255 -14.247 12.910 1.00 2.52 N ATOM 827 CA GLY A 55 22.426 -14.379 12.063 1.00 2.32 C ATOM 828 C GLY A 55 22.274 -15.478 11.031 1.00 72.12 C ATOM 829 O GLY A 55 21.202 -15.653 10.454 1.00 74.13 O ATOM 0 H GLY A 55 20.766 -15.121 13.105 1.00 2.52 H new ATOM 0 HA2 GLY A 55 22.613 -13.432 11.556 1.00 2.32 H new ATOM 0 HA3 GLY A 55 23.298 -14.586 12.684 1.00 2.32 H new ATOM 833 N GLY A 56 23.351 -16.221 10.796 1.00 44.11 N ATOM 834 CA GLY A 56 23.312 -17.298 9.825 1.00 62.44 C ATOM 835 C GLY A 56 24.066 -16.961 8.554 1.00 40.15 C ATOM 836 O GLY A 56 24.699 -15.909 8.460 1.00 21.21 O ATOM 0 H GLY A 56 24.250 -16.096 11.261 1.00 44.11 H new ATOM 0 HA2 GLY A 56 23.738 -18.198 10.268 1.00 62.44 H new ATOM 0 HA3 GLY A 56 22.274 -17.524 9.579 1.00 62.44 H new ATOM 840 N ARG A 57 24.000 -17.855 7.573 1.00 71.51 N ATOM 841 CA ARG A 57 24.684 -17.648 6.302 1.00 21.33 C ATOM 842 C ARG A 57 23.940 -16.630 5.444 1.00 40.41 C ATOM 843 O ARG A 57 22.881 -16.925 4.890 1.00 70.12 O ATOM 844 CB ARG A 57 24.812 -18.972 5.546 1.00 42.10 C ATOM 845 CG ARG A 57 23.493 -19.708 5.379 1.00 21.23 C ATOM 846 CD ARG A 57 23.021 -19.686 3.934 1.00 44.32 C ATOM 847 NE ARG A 57 22.928 -21.029 3.367 1.00 4.34 N ATOM 848 CZ ARG A 57 23.971 -21.698 2.888 1.00 21.04 C ATOM 849 NH1 ARG A 57 25.179 -21.152 2.908 1.00 62.13 N ATOM 850 NH2 ARG A 57 23.806 -22.916 2.389 1.00 24.31 N ATOM 0 H ARG A 57 23.480 -18.730 7.634 1.00 71.51 H new ATOM 0 HA ARG A 57 25.681 -17.260 6.513 1.00 21.33 H new ATOM 0 HB2 ARG A 57 25.238 -18.779 4.561 1.00 42.10 H new ATOM 0 HB3 ARG A 57 25.514 -19.617 6.076 1.00 42.10 H new ATOM 0 HG2 ARG A 57 23.607 -20.740 5.710 1.00 21.23 H new ATOM 0 HG3 ARG A 57 22.737 -19.250 6.017 1.00 21.23 H new ATOM 0 HD2 ARG A 57 22.046 -19.201 3.879 1.00 44.32 H new ATOM 0 HD3 ARG A 57 23.709 -19.088 3.337 1.00 44.32 H new ATOM 0 HE ARG A 57 22.012 -21.478 3.337 1.00 4.34 H new ATOM 0 HH11 ARG A 57 25.309 -20.216 3.292 1.00 62.13 H new ATOM 0 HH12 ARG A 57 25.978 -21.668 2.540 1.00 62.13 H new ATOM 0 HH21 ARG A 57 22.878 -23.339 2.373 1.00 24.31 H new ATOM 0 HH22 ARG A 57 24.607 -23.429 2.021 1.00 24.31 H new ATOM 864 N TYR A 58 24.501 -15.430 5.339 1.00 31.12 N ATOM 865 CA TYR A 58 23.889 -14.367 4.551 1.00 4.41 C ATOM 866 C TYR A 58 24.173 -14.558 3.064 1.00 30.43 C ATOM 867 O TYR A 58 25.303 -14.382 2.609 1.00 51.21 O ATOM 868 CB TYR A 58 24.407 -13.002 5.009 1.00 42.15 C ATOM 869 CG TYR A 58 24.116 -11.885 4.032 1.00 73.22 C ATOM 870 CD1 TYR A 58 22.878 -11.786 3.409 1.00 52.40 C ATOM 871 CD2 TYR A 58 25.078 -10.929 3.732 1.00 4.15 C ATOM 872 CE1 TYR A 58 22.608 -10.767 2.515 1.00 34.44 C ATOM 873 CE2 TYR A 58 24.817 -9.906 2.841 1.00 35.32 C ATOM 874 CZ TYR A 58 23.580 -9.830 2.235 1.00 70.21 C ATOM 875 OH TYR A 58 23.314 -8.814 1.346 1.00 2.54 O ATOM 0 H TYR A 58 25.378 -15.170 5.790 1.00 31.12 H new ATOM 0 HA TYR A 58 22.811 -14.410 4.705 1.00 4.41 H new ATOM 0 HB2 TYR A 58 23.959 -12.757 5.972 1.00 42.15 H new ATOM 0 HB3 TYR A 58 25.484 -13.065 5.165 1.00 42.15 H new ATOM 0 HD1 TYR A 58 22.114 -12.517 3.627 1.00 52.40 H new ATOM 0 HD2 TYR A 58 26.048 -10.986 4.204 1.00 4.15 H new ATOM 0 HE1 TYR A 58 21.641 -10.705 2.038 1.00 34.44 H new ATOM 0 HE2 TYR A 58 25.576 -9.171 2.620 1.00 35.32 H new ATOM 0 HH TYR A 58 23.349 -9.163 0.431 1.00 2.54 H new ATOM 885 N TRP A 59 23.139 -14.920 2.314 1.00 72.22 N ATOM 886 CA TRP A 59 23.275 -15.136 0.878 1.00 43.33 C ATOM 887 C TRP A 59 22.090 -14.544 0.123 1.00 35.34 C ATOM 888 O TRP A 59 20.978 -15.071 0.185 1.00 42.43 O ATOM 889 CB TRP A 59 23.394 -16.630 0.575 1.00 65.15 C ATOM 890 CG TRP A 59 22.893 -17.002 -0.788 1.00 53.30 C ATOM 891 CD1 TRP A 59 23.414 -16.611 -1.988 1.00 65.12 C ATOM 892 CD2 TRP A 59 21.769 -17.836 -1.089 1.00 52.13 C ATOM 893 NE1 TRP A 59 22.682 -17.152 -3.017 1.00 65.34 N ATOM 894 CE2 TRP A 59 21.668 -17.908 -2.492 1.00 60.45 C ATOM 895 CE3 TRP A 59 20.839 -18.530 -0.311 1.00 22.34 C ATOM 896 CZ2 TRP A 59 20.674 -18.646 -3.130 1.00 22.31 C ATOM 897 CZ3 TRP A 59 19.853 -19.262 -0.945 1.00 3.02 C ATOM 898 CH2 TRP A 59 19.777 -19.316 -2.343 1.00 23.20 C ATOM 0 H TRP A 59 22.197 -15.070 2.676 1.00 72.22 H new ATOM 0 HA TRP A 59 24.182 -14.632 0.545 1.00 43.33 H new ATOM 0 HB2 TRP A 59 24.438 -16.929 0.665 1.00 65.15 H new ATOM 0 HB3 TRP A 59 22.836 -17.191 1.325 1.00 65.15 H new ATOM 0 HD1 TRP A 59 24.275 -15.971 -2.110 1.00 65.12 H new ATOM 0 HE1 TRP A 59 22.864 -17.013 -4.011 1.00 65.34 H new ATOM 0 HE3 TRP A 59 20.890 -18.495 0.767 1.00 22.34 H new ATOM 0 HZ2 TRP A 59 20.613 -18.688 -4.207 1.00 22.31 H new ATOM 0 HZ3 TRP A 59 19.129 -19.802 -0.353 1.00 3.02 H new ATOM 0 HH2 TRP A 59 18.995 -19.898 -2.809 1.00 23.20 H new ATOM 909 N ASP A 60 22.333 -13.449 -0.587 1.00 51.33 N ATOM 910 CA ASP A 60 21.284 -12.787 -1.355 1.00 5.31 C ATOM 911 C ASP A 60 21.273 -13.281 -2.798 1.00 45.42 C ATOM 912 O ASP A 60 22.279 -13.785 -3.301 1.00 13.13 O ATOM 913 CB ASP A 60 21.480 -11.270 -1.323 1.00 70.12 C ATOM 914 CG ASP A 60 22.929 -10.869 -1.519 1.00 12.12 C ATOM 915 OD1 ASP A 60 23.663 -10.785 -0.512 1.00 31.43 O ATOM 916 OD2 ASP A 60 23.329 -10.639 -2.679 1.00 71.30 O ATOM 0 H ASP A 60 23.247 -13.000 -0.647 1.00 51.33 H new ATOM 0 HA ASP A 60 20.324 -13.031 -0.899 1.00 5.31 H new ATOM 0 HB2 ASP A 60 20.871 -10.811 -2.102 1.00 70.12 H new ATOM 0 HB3 ASP A 60 21.124 -10.881 -0.369 1.00 70.12 H new ATOM 921 N LEU A 61 20.131 -13.133 -3.460 1.00 31.44 N ATOM 922 CA LEU A 61 19.988 -13.565 -4.846 1.00 22.43 C ATOM 923 C LEU A 61 19.593 -12.397 -5.742 1.00 54.44 C ATOM 924 O LEU A 61 18.985 -11.429 -5.286 1.00 42.13 O ATOM 925 CB LEU A 61 18.944 -14.678 -4.949 1.00 33.33 C ATOM 926 CG LEU A 61 17.528 -14.313 -4.502 1.00 74.20 C ATOM 927 CD1 LEU A 61 16.509 -15.242 -5.145 1.00 41.51 C ATOM 928 CD2 LEU A 61 17.417 -14.365 -2.985 1.00 73.33 C ATOM 0 H LEU A 61 19.290 -12.717 -3.059 1.00 31.44 H new ATOM 0 HA LEU A 61 20.952 -13.947 -5.183 1.00 22.43 H new ATOM 0 HB2 LEU A 61 18.901 -15.014 -5.985 1.00 33.33 H new ATOM 0 HB3 LEU A 61 19.285 -15.525 -4.353 1.00 33.33 H new ATOM 0 HG LEU A 61 17.317 -13.294 -4.827 1.00 74.20 H new ATOM 0 HD11 LEU A 61 15.507 -14.967 -4.815 1.00 41.51 H new ATOM 0 HD12 LEU A 61 16.571 -15.155 -6.230 1.00 41.51 H new ATOM 0 HD13 LEU A 61 16.718 -16.271 -4.851 1.00 41.51 H new ATOM 0 HD21 LEU A 61 16.402 -14.102 -2.685 1.00 73.33 H new ATOM 0 HD22 LEU A 61 17.649 -15.372 -2.638 1.00 73.33 H new ATOM 0 HD23 LEU A 61 18.120 -13.658 -2.544 1.00 73.33 H new ATOM 940 N GLY A 62 19.940 -12.495 -7.022 1.00 50.11 N ATOM 941 CA GLY A 62 19.611 -11.440 -7.963 1.00 62.21 C ATOM 942 C GLY A 62 18.754 -11.934 -9.112 1.00 23.43 C ATOM 943 O GLY A 62 18.413 -13.114 -9.197 1.00 32.23 O ATOM 0 H GLY A 62 20.443 -13.286 -7.424 1.00 50.11 H new ATOM 0 HA2 GLY A 62 19.086 -10.641 -7.439 1.00 62.21 H new ATOM 0 HA3 GLY A 62 20.531 -11.010 -8.359 1.00 62.21 H new ATOM 947 N PRO A 63 18.392 -11.018 -10.022 1.00 32.04 N ATOM 948 CA PRO A 63 17.564 -11.344 -11.187 1.00 13.34 C ATOM 949 C PRO A 63 18.001 -12.637 -11.865 1.00 61.14 C ATOM 950 O PRO A 63 19.014 -12.672 -12.563 1.00 52.21 O ATOM 951 CB PRO A 63 17.780 -10.150 -12.120 1.00 61.13 C ATOM 952 CG PRO A 63 18.128 -9.019 -11.215 1.00 71.21 C ATOM 953 CD PRO A 63 18.763 -9.593 -9.983 1.00 72.54 C ATOM 0 HA PRO A 63 16.521 -11.506 -10.914 1.00 13.34 H new ATOM 0 HB2 PRO A 63 18.580 -10.346 -12.834 1.00 61.13 H new ATOM 0 HB3 PRO A 63 16.882 -9.932 -12.698 1.00 61.13 H new ATOM 0 HG2 PRO A 63 18.812 -8.330 -11.711 1.00 71.21 H new ATOM 0 HG3 PRO A 63 17.235 -8.450 -10.955 1.00 71.21 H new ATOM 0 HD2 PRO A 63 19.845 -9.462 -9.994 1.00 72.54 H new ATOM 0 HD3 PRO A 63 18.392 -9.108 -9.080 1.00 72.54 H new ATOM 961 N GLY A 64 17.230 -13.700 -11.656 1.00 61.13 N ATOM 962 CA GLY A 64 17.555 -14.981 -12.255 1.00 72.44 C ATOM 963 C GLY A 64 16.972 -16.147 -11.482 1.00 20.42 C ATOM 964 O GLY A 64 16.588 -16.000 -10.322 1.00 72.52 O ATOM 0 H GLY A 64 16.386 -13.697 -11.083 1.00 61.13 H new ATOM 0 HA2 GLY A 64 17.182 -15.005 -13.279 1.00 72.44 H new ATOM 0 HA3 GLY A 64 18.638 -15.089 -12.308 1.00 72.44 H new ATOM 968 N GLU A 65 16.905 -17.309 -12.126 1.00 12.52 N ATOM 969 CA GLU A 65 16.362 -18.503 -11.490 1.00 72.44 C ATOM 970 C GLU A 65 17.407 -19.168 -10.599 1.00 32.11 C ATOM 971 O GLU A 65 18.567 -18.757 -10.572 1.00 21.34 O ATOM 972 CB GLU A 65 15.874 -19.494 -12.549 1.00 62.34 C ATOM 973 CG GLU A 65 14.542 -20.141 -12.210 1.00 54.34 C ATOM 974 CD GLU A 65 14.091 -21.136 -13.262 1.00 45.13 C ATOM 975 OE1 GLU A 65 14.897 -21.450 -14.164 1.00 55.53 O ATOM 976 OE2 GLU A 65 12.935 -21.601 -13.184 1.00 42.51 O ATOM 0 H GLU A 65 17.220 -17.448 -13.086 1.00 12.52 H new ATOM 0 HA GLU A 65 15.519 -18.201 -10.869 1.00 72.44 H new ATOM 0 HB2 GLU A 65 15.784 -18.977 -13.504 1.00 62.34 H new ATOM 0 HB3 GLU A 65 16.625 -20.274 -12.678 1.00 62.34 H new ATOM 0 HG2 GLU A 65 14.623 -20.647 -11.248 1.00 54.34 H new ATOM 0 HG3 GLU A 65 13.784 -19.366 -12.100 1.00 54.34 H new ATOM 983 N TYR A 66 16.986 -20.197 -9.871 1.00 4.41 N ATOM 984 CA TYR A 66 17.884 -20.917 -8.976 1.00 1.13 C ATOM 985 C TYR A 66 17.321 -22.292 -8.631 1.00 23.41 C ATOM 986 O TYR A 66 16.455 -22.422 -7.766 1.00 72.13 O ATOM 987 CB TYR A 66 18.115 -20.112 -7.695 1.00 61.54 C ATOM 988 CG TYR A 66 19.285 -20.605 -6.874 1.00 2.41 C ATOM 989 CD1 TYR A 66 20.539 -20.777 -7.448 1.00 74.24 C ATOM 990 CD2 TYR A 66 19.137 -20.898 -5.524 1.00 4.10 C ATOM 991 CE1 TYR A 66 21.611 -21.227 -6.702 1.00 74.21 C ATOM 992 CE2 TYR A 66 20.204 -21.347 -4.770 1.00 0.03 C ATOM 993 CZ TYR A 66 21.438 -21.510 -5.363 1.00 64.32 C ATOM 994 OH TYR A 66 22.503 -21.959 -4.615 1.00 50.25 O ATOM 0 H TYR A 66 16.029 -20.551 -9.883 1.00 4.41 H new ATOM 0 HA TYR A 66 18.836 -21.052 -9.489 1.00 1.13 H new ATOM 0 HB2 TYR A 66 18.280 -19.067 -7.957 1.00 61.54 H new ATOM 0 HB3 TYR A 66 17.212 -20.149 -7.085 1.00 61.54 H new ATOM 0 HD1 TYR A 66 20.678 -20.555 -8.496 1.00 74.24 H new ATOM 0 HD2 TYR A 66 18.172 -20.773 -5.056 1.00 4.10 H new ATOM 0 HE1 TYR A 66 22.578 -21.356 -7.164 1.00 74.21 H new ATOM 0 HE2 TYR A 66 20.072 -21.569 -3.721 1.00 0.03 H new ATOM 0 HH TYR A 66 22.213 -22.110 -3.691 1.00 50.25 H new ATOM 1004 N SER A 67 17.822 -23.317 -9.314 1.00 34.34 N ATOM 1005 CA SER A 67 17.368 -24.684 -9.083 1.00 53.21 C ATOM 1006 C SER A 67 18.317 -25.420 -8.143 1.00 62.31 C ATOM 1007 O SER A 67 18.978 -26.381 -8.538 1.00 10.11 O ATOM 1008 CB SER A 67 17.258 -25.438 -10.410 1.00 3.13 C ATOM 1009 OG SER A 67 18.356 -25.144 -11.256 1.00 3.43 O ATOM 0 H SER A 67 18.542 -23.227 -10.031 1.00 34.34 H new ATOM 0 HA SER A 67 16.384 -24.640 -8.616 1.00 53.21 H new ATOM 0 HB2 SER A 67 17.218 -26.511 -10.220 1.00 3.13 H new ATOM 0 HB3 SER A 67 16.328 -25.168 -10.909 1.00 3.13 H new ATOM 0 HG SER A 67 18.263 -25.639 -12.097 1.00 3.43 H new ATOM 1015 N SER A 68 18.379 -24.962 -6.897 1.00 24.31 N ATOM 1016 CA SER A 68 19.250 -25.574 -5.900 1.00 65.22 C ATOM 1017 C SER A 68 18.547 -26.735 -5.204 1.00 25.51 C ATOM 1018 O SER A 68 17.321 -26.759 -5.095 1.00 4.31 O ATOM 1019 CB SER A 68 19.688 -24.534 -4.867 1.00 34.32 C ATOM 1020 OG SER A 68 18.598 -23.720 -4.470 1.00 34.42 O ATOM 0 H SER A 68 17.837 -24.169 -6.554 1.00 24.31 H new ATOM 0 HA SER A 68 20.132 -25.960 -6.412 1.00 65.22 H new ATOM 0 HB2 SER A 68 20.107 -25.037 -3.995 1.00 34.32 H new ATOM 0 HB3 SER A 68 20.478 -23.911 -5.286 1.00 34.32 H new ATOM 0 HG SER A 68 18.817 -22.779 -4.631 1.00 34.42 H new ATOM 1026 N VAL A 69 19.334 -27.699 -4.734 1.00 14.22 N ATOM 1027 CA VAL A 69 18.788 -28.863 -4.047 1.00 24.52 C ATOM 1028 C VAL A 69 19.872 -29.599 -3.267 1.00 45.01 C ATOM 1029 O VAL A 69 19.748 -30.791 -2.987 1.00 3.31 O ATOM 1030 CB VAL A 69 18.130 -29.842 -5.037 1.00 62.23 C ATOM 1031 CG1 VAL A 69 19.190 -30.608 -5.815 1.00 34.42 C ATOM 1032 CG2 VAL A 69 17.201 -30.797 -4.304 1.00 34.22 C ATOM 0 H VAL A 69 20.351 -27.696 -4.817 1.00 14.22 H new ATOM 0 HA VAL A 69 18.031 -28.495 -3.354 1.00 24.52 H new ATOM 0 HB VAL A 69 17.536 -29.268 -5.748 1.00 62.23 H new ATOM 0 HG11 VAL A 69 18.706 -31.295 -6.509 1.00 34.42 H new ATOM 0 HG12 VAL A 69 19.811 -29.906 -6.372 1.00 34.42 H new ATOM 0 HG13 VAL A 69 19.813 -31.172 -5.122 1.00 34.42 H new ATOM 0 HG21 VAL A 69 16.745 -31.481 -5.019 1.00 34.22 H new ATOM 0 HG22 VAL A 69 17.770 -31.366 -3.569 1.00 34.22 H new ATOM 0 HG23 VAL A 69 16.421 -30.229 -3.797 1.00 34.22 H new ATOM 1042 N GLU A 70 20.935 -28.880 -2.919 1.00 50.33 N ATOM 1043 CA GLU A 70 22.041 -29.465 -2.172 1.00 25.25 C ATOM 1044 C GLU A 70 23.157 -28.445 -1.963 1.00 20.15 C ATOM 1045 O GLU A 70 24.338 -28.790 -1.973 1.00 25.52 O ATOM 1046 CB GLU A 70 22.588 -30.692 -2.904 1.00 23.31 C ATOM 1047 CG GLU A 70 22.753 -30.485 -4.400 1.00 43.10 C ATOM 1048 CD GLU A 70 24.103 -30.953 -4.908 1.00 40.15 C ATOM 1049 OE1 GLU A 70 24.693 -31.857 -4.281 1.00 41.12 O ATOM 1050 OE2 GLU A 70 24.569 -30.414 -5.935 1.00 31.53 O ATOM 0 H GLU A 70 21.053 -27.892 -3.143 1.00 50.33 H new ATOM 0 HA GLU A 70 21.664 -29.771 -1.196 1.00 25.25 H new ATOM 0 HB2 GLU A 70 23.553 -30.961 -2.474 1.00 23.31 H new ATOM 0 HB3 GLU A 70 21.918 -31.535 -2.734 1.00 23.31 H new ATOM 0 HG2 GLU A 70 21.964 -31.023 -4.927 1.00 43.10 H new ATOM 0 HG3 GLU A 70 22.628 -29.427 -4.633 1.00 43.10 H new ATOM 1057 N SER A 71 22.772 -27.187 -1.774 1.00 5.24 N ATOM 1058 CA SER A 71 23.739 -26.115 -1.567 1.00 2.04 C ATOM 1059 C SER A 71 23.070 -24.892 -0.946 1.00 62.31 C ATOM 1060 O SER A 71 23.636 -24.240 -0.070 1.00 12.54 O ATOM 1061 CB SER A 71 24.399 -25.731 -2.893 1.00 20.44 C ATOM 1062 OG SER A 71 24.616 -24.333 -2.969 1.00 34.12 O ATOM 0 H SER A 71 21.798 -26.885 -1.760 1.00 5.24 H new ATOM 0 HA SER A 71 24.504 -26.477 -0.880 1.00 2.04 H new ATOM 0 HB2 SER A 71 25.349 -26.256 -2.995 1.00 20.44 H new ATOM 0 HB3 SER A 71 23.768 -26.050 -3.723 1.00 20.44 H new ATOM 0 HG SER A 71 25.040 -24.114 -3.825 1.00 34.12 H new ATOM 1068 N ALA A 72 21.862 -24.589 -1.408 1.00 54.31 N ATOM 1069 CA ALA A 72 21.114 -23.446 -0.898 1.00 75.41 C ATOM 1070 C ALA A 72 20.958 -23.524 0.617 1.00 41.01 C ATOM 1071 O ALA A 72 21.240 -22.562 1.330 1.00 54.43 O ATOM 1072 CB ALA A 72 19.749 -23.368 -1.567 1.00 43.42 C ATOM 0 H ALA A 72 21.380 -25.119 -2.134 1.00 54.31 H new ATOM 0 HA ALA A 72 21.675 -22.542 -1.134 1.00 75.41 H new ATOM 0 HB1 ALA A 72 19.201 -22.510 -1.177 1.00 43.42 H new ATOM 0 HB2 ALA A 72 19.877 -23.258 -2.644 1.00 43.42 H new ATOM 0 HB3 ALA A 72 19.190 -24.280 -1.360 1.00 43.42 H new ATOM 1078 N GLY A 73 20.507 -24.677 1.103 1.00 42.42 N ATOM 1079 CA GLY A 73 20.321 -24.858 2.531 1.00 44.33 C ATOM 1080 C GLY A 73 19.495 -26.086 2.857 1.00 41.04 C ATOM 1081 O GLY A 73 18.269 -26.064 2.747 1.00 12.12 O ATOM 0 H GLY A 73 20.267 -25.488 0.533 1.00 42.42 H new ATOM 0 HA2 GLY A 73 21.295 -24.940 3.014 1.00 44.33 H new ATOM 0 HA3 GLY A 73 19.834 -23.976 2.946 1.00 44.33 H new ATOM 1085 N ILE A 74 20.167 -27.160 3.256 1.00 22.23 N ATOM 1086 CA ILE A 74 19.487 -28.403 3.598 1.00 14.03 C ATOM 1087 C ILE A 74 19.624 -28.714 5.085 1.00 63.12 C ATOM 1088 O ILE A 74 20.384 -29.592 5.493 1.00 64.52 O ATOM 1089 CB ILE A 74 20.037 -29.589 2.784 1.00 10.30 C ATOM 1090 CG1 ILE A 74 20.259 -29.176 1.327 1.00 33.14 C ATOM 1091 CG2 ILE A 74 19.087 -30.774 2.866 1.00 55.13 C ATOM 1092 CD1 ILE A 74 19.011 -28.654 0.651 1.00 52.23 C ATOM 0 H ILE A 74 21.182 -27.195 3.350 1.00 22.23 H new ATOM 0 HA ILE A 74 18.434 -28.263 3.354 1.00 14.03 H new ATOM 0 HB ILE A 74 20.996 -29.888 3.207 1.00 10.30 H new ATOM 0 HG12 ILE A 74 21.031 -28.408 1.289 1.00 33.14 H new ATOM 0 HG13 ILE A 74 20.634 -30.033 0.768 1.00 33.14 H new ATOM 0 HG21 ILE A 74 19.490 -31.604 2.286 1.00 55.13 H new ATOM 0 HG22 ILE A 74 18.975 -31.079 3.906 1.00 55.13 H new ATOM 0 HG23 ILE A 74 18.114 -30.489 2.465 1.00 55.13 H new ATOM 0 HD11 ILE A 74 19.242 -28.380 -0.378 1.00 52.23 H new ATOM 0 HD12 ILE A 74 18.243 -29.428 0.657 1.00 52.23 H new ATOM 0 HD13 ILE A 74 18.647 -27.777 1.186 1.00 52.23 H new ATOM 1104 N PRO A 75 18.870 -27.979 5.915 1.00 5.35 N ATOM 1105 CA PRO A 75 18.889 -28.159 7.370 1.00 33.31 C ATOM 1106 C PRO A 75 18.049 -29.351 7.817 1.00 63.42 C ATOM 1107 O PRO A 75 17.666 -30.193 7.004 1.00 43.45 O ATOM 1108 CB PRO A 75 18.287 -26.854 7.897 1.00 22.22 C ATOM 1109 CG PRO A 75 17.381 -26.388 6.810 1.00 23.40 C ATOM 1110 CD PRO A 75 17.942 -26.915 5.499 1.00 51.44 C ATOM 0 HA PRO A 75 19.893 -28.362 7.742 1.00 33.31 H new ATOM 0 HB2 PRO A 75 17.740 -27.017 8.826 1.00 22.22 H new ATOM 0 HB3 PRO A 75 19.062 -26.118 8.109 1.00 22.22 H new ATOM 0 HG2 PRO A 75 16.367 -26.756 6.970 1.00 23.40 H new ATOM 0 HG3 PRO A 75 17.326 -25.299 6.795 1.00 23.40 H new ATOM 0 HD2 PRO A 75 17.153 -27.302 4.854 1.00 51.44 H new ATOM 0 HD3 PRO A 75 18.456 -26.132 4.941 1.00 51.44 H new ATOM 1118 N ASP A 76 17.766 -29.417 9.113 1.00 24.11 N ATOM 1119 CA ASP A 76 16.970 -30.506 9.668 1.00 44.13 C ATOM 1120 C ASP A 76 16.097 -30.010 10.816 1.00 72.21 C ATOM 1121 O ASP A 76 15.947 -30.688 11.832 1.00 40.42 O ATOM 1122 CB ASP A 76 17.880 -31.635 10.153 1.00 23.24 C ATOM 1123 CG ASP A 76 19.010 -31.925 9.185 1.00 23.32 C ATOM 1124 OD1 ASP A 76 18.778 -32.668 8.208 1.00 2.35 O ATOM 1125 OD2 ASP A 76 20.127 -31.411 9.405 1.00 40.33 O ATOM 0 H ASP A 76 18.076 -28.729 9.799 1.00 24.11 H new ATOM 0 HA ASP A 76 16.320 -30.887 8.880 1.00 44.13 H new ATOM 0 HB2 ASP A 76 18.297 -31.370 11.124 1.00 23.24 H new ATOM 0 HB3 ASP A 76 17.288 -32.539 10.297 1.00 23.24 H new ATOM 1130 N ASN A 77 15.523 -28.823 10.647 1.00 64.23 N ATOM 1131 CA ASN A 77 14.666 -28.236 11.670 1.00 50.22 C ATOM 1132 C ASN A 77 14.059 -26.924 11.183 1.00 55.32 C ATOM 1133 O ASN A 77 14.186 -26.566 10.012 1.00 11.40 O ATOM 1134 CB ASN A 77 15.461 -27.997 12.955 1.00 13.22 C ATOM 1135 CG ASN A 77 14.634 -28.249 14.201 1.00 10.33 C ATOM 1136 OD1 ASN A 77 13.924 -27.363 14.678 1.00 31.21 O ATOM 1137 ND2 ASN A 77 14.723 -29.461 14.735 1.00 23.32 N ATOM 0 H ASN A 77 15.636 -28.249 9.811 1.00 64.23 H new ATOM 0 HA ASN A 77 13.856 -28.936 11.876 1.00 50.22 H new ATOM 0 HB2 ASN A 77 16.335 -28.648 12.965 1.00 13.22 H new ATOM 0 HB3 ASN A 77 15.828 -26.971 12.967 1.00 13.22 H new ATOM 0 HD21 ASN A 77 14.190 -29.689 15.574 1.00 23.32 H new ATOM 0 HD22 ASN A 77 15.324 -30.164 14.306 1.00 23.32 H new ATOM 1144 N SER A 78 13.398 -26.211 12.090 1.00 43.11 N ATOM 1145 CA SER A 78 12.768 -24.940 11.753 1.00 42.14 C ATOM 1146 C SER A 78 13.670 -23.769 12.132 1.00 70.04 C ATOM 1147 O SER A 78 13.495 -23.152 13.183 1.00 43.02 O ATOM 1148 CB SER A 78 11.420 -24.811 12.463 1.00 14.53 C ATOM 1149 OG SER A 78 11.567 -24.950 13.866 1.00 51.12 O ATOM 0 H SER A 78 13.285 -26.492 13.064 1.00 43.11 H new ATOM 0 HA SER A 78 12.606 -24.917 10.675 1.00 42.14 H new ATOM 0 HB2 SER A 78 10.977 -23.842 12.235 1.00 14.53 H new ATOM 0 HB3 SER A 78 10.734 -25.571 12.089 1.00 14.53 H new ATOM 0 HG SER A 78 12.267 -24.342 14.183 1.00 51.12 H new ATOM 1155 N ILE A 79 14.634 -23.469 11.268 1.00 62.41 N ATOM 1156 CA ILE A 79 15.563 -22.373 11.511 1.00 51.42 C ATOM 1157 C ILE A 79 16.079 -21.789 10.200 1.00 42.10 C ATOM 1158 O ILE A 79 17.262 -21.904 9.881 1.00 64.24 O ATOM 1159 CB ILE A 79 16.761 -22.828 12.364 1.00 23.12 C ATOM 1160 CG1 ILE A 79 17.387 -24.092 11.770 1.00 1.25 C ATOM 1161 CG2 ILE A 79 16.326 -23.071 13.802 1.00 61.04 C ATOM 1162 CD1 ILE A 79 18.863 -23.951 11.470 1.00 71.42 C ATOM 0 H ILE A 79 14.792 -23.970 10.394 1.00 62.41 H new ATOM 0 HA ILE A 79 15.011 -21.607 12.055 1.00 51.42 H new ATOM 0 HB ILE A 79 17.511 -22.037 12.361 1.00 23.12 H new ATOM 0 HG12 ILE A 79 17.243 -24.920 12.464 1.00 1.25 H new ATOM 0 HG13 ILE A 79 16.861 -24.351 10.851 1.00 1.25 H new ATOM 0 HG21 ILE A 79 17.184 -23.392 14.392 1.00 61.04 H new ATOM 0 HG22 ILE A 79 15.922 -22.149 14.221 1.00 61.04 H new ATOM 0 HG23 ILE A 79 15.560 -23.846 13.824 1.00 61.04 H new ATOM 0 HD11 ILE A 79 19.240 -24.884 11.052 1.00 71.42 H new ATOM 0 HD12 ILE A 79 19.013 -23.145 10.752 1.00 71.42 H new ATOM 0 HD13 ILE A 79 19.401 -23.722 12.390 1.00 71.42 H new ATOM 1174 N SER A 80 15.184 -21.160 9.445 1.00 32.41 N ATOM 1175 CA SER A 80 15.548 -20.560 8.167 1.00 1.43 C ATOM 1176 C SER A 80 14.447 -19.627 7.672 1.00 1.20 C ATOM 1177 O SER A 80 13.262 -19.876 7.891 1.00 72.42 O ATOM 1178 CB SER A 80 15.817 -21.648 7.126 1.00 13.01 C ATOM 1179 OG SER A 80 14.651 -22.415 6.878 1.00 42.23 O ATOM 0 H SER A 80 14.201 -21.053 9.696 1.00 32.41 H new ATOM 0 HA SER A 80 16.457 -19.976 8.314 1.00 1.43 H new ATOM 0 HB2 SER A 80 16.160 -21.191 6.198 1.00 13.01 H new ATOM 0 HB3 SER A 80 16.618 -22.300 7.475 1.00 13.01 H new ATOM 0 HG SER A 80 14.848 -23.103 6.208 1.00 42.23 H new ATOM 1185 N SER A 81 14.849 -18.550 7.003 1.00 34.52 N ATOM 1186 CA SER A 81 13.897 -17.577 6.480 1.00 65.15 C ATOM 1187 C SER A 81 14.558 -16.677 5.440 1.00 4.54 C ATOM 1188 O SER A 81 15.784 -16.635 5.327 1.00 73.51 O ATOM 1189 CB SER A 81 13.326 -16.728 7.617 1.00 74.43 C ATOM 1190 OG SER A 81 11.989 -16.344 7.344 1.00 62.00 O ATOM 0 H SER A 81 15.826 -18.330 6.811 1.00 34.52 H new ATOM 0 HA SER A 81 13.084 -18.122 6.000 1.00 65.15 H new ATOM 0 HB2 SER A 81 13.363 -17.291 8.550 1.00 74.43 H new ATOM 0 HB3 SER A 81 13.942 -15.839 7.756 1.00 74.43 H new ATOM 0 HG SER A 81 11.646 -15.804 8.086 1.00 62.00 H new ATOM 1196 N PHE A 82 13.738 -15.956 4.683 1.00 14.15 N ATOM 1197 CA PHE A 82 14.241 -15.056 3.652 1.00 30.02 C ATOM 1198 C PHE A 82 13.290 -13.881 3.445 1.00 42.32 C ATOM 1199 O PHE A 82 12.071 -14.036 3.512 1.00 12.54 O ATOM 1200 CB PHE A 82 14.431 -15.811 2.335 1.00 24.12 C ATOM 1201 CG PHE A 82 13.140 -16.161 1.653 1.00 60.32 C ATOM 1202 CD1 PHE A 82 12.240 -17.030 2.249 1.00 53.25 C ATOM 1203 CD2 PHE A 82 12.826 -15.621 0.416 1.00 61.51 C ATOM 1204 CE1 PHE A 82 11.051 -17.354 1.622 1.00 21.22 C ATOM 1205 CE2 PHE A 82 11.639 -15.942 -0.215 1.00 13.20 C ATOM 1206 CZ PHE A 82 10.750 -16.809 0.390 1.00 53.44 C ATOM 0 H PHE A 82 12.721 -15.977 4.764 1.00 14.15 H new ATOM 0 HA PHE A 82 15.204 -14.667 3.982 1.00 30.02 H new ATOM 0 HB2 PHE A 82 15.035 -15.204 1.661 1.00 24.12 H new ATOM 0 HB3 PHE A 82 14.991 -16.726 2.528 1.00 24.12 H new ATOM 0 HD1 PHE A 82 12.470 -17.459 3.213 1.00 53.25 H new ATOM 0 HD2 PHE A 82 13.517 -14.941 -0.061 1.00 61.51 H new ATOM 0 HE1 PHE A 82 10.358 -18.033 2.096 1.00 21.22 H new ATOM 0 HE2 PHE A 82 11.407 -15.516 -1.180 1.00 13.20 H new ATOM 0 HZ PHE A 82 9.821 -17.060 -0.100 1.00 53.44 H new ATOM 1216 N ARG A 83 13.858 -12.706 3.193 1.00 52.35 N ATOM 1217 CA ARG A 83 13.062 -11.503 2.977 1.00 71.40 C ATOM 1218 C ARG A 83 12.514 -11.462 1.553 1.00 30.04 C ATOM 1219 O ARG A 83 12.876 -12.287 0.715 1.00 4.12 O ATOM 1220 CB ARG A 83 13.903 -10.254 3.248 1.00 75.33 C ATOM 1221 CG ARG A 83 13.796 -9.747 4.676 1.00 2.54 C ATOM 1222 CD ARG A 83 12.541 -8.912 4.879 1.00 4.30 C ATOM 1223 NE ARG A 83 12.796 -7.732 5.701 1.00 51.41 N ATOM 1224 CZ ARG A 83 11.965 -6.698 5.780 1.00 44.13 C ATOM 1225 NH1 ARG A 83 10.833 -6.699 5.090 1.00 32.23 N ATOM 1226 NH2 ARG A 83 12.267 -5.660 6.550 1.00 71.32 N ATOM 0 H ARG A 83 14.866 -12.561 3.133 1.00 52.35 H new ATOM 0 HA ARG A 83 12.221 -11.524 3.671 1.00 71.40 H new ATOM 0 HB2 ARG A 83 14.947 -10.474 3.027 1.00 75.33 H new ATOM 0 HB3 ARG A 83 13.593 -9.462 2.566 1.00 75.33 H new ATOM 0 HG2 ARG A 83 13.787 -10.593 5.364 1.00 2.54 H new ATOM 0 HG3 ARG A 83 14.675 -9.149 4.918 1.00 2.54 H new ATOM 0 HD2 ARG A 83 12.152 -8.601 3.910 1.00 4.30 H new ATOM 0 HD3 ARG A 83 11.771 -9.523 5.351 1.00 4.30 H new ATOM 0 HE ARG A 83 13.659 -7.700 6.244 1.00 51.41 H new ATOM 0 HH11 ARG A 83 10.598 -7.495 4.497 1.00 32.23 H new ATOM 0 HH12 ARG A 83 10.197 -5.904 5.152 1.00 32.23 H new ATOM 0 HH21 ARG A 83 13.137 -5.656 7.082 1.00 71.32 H new ATOM 0 HH22 ARG A 83 11.629 -4.867 6.610 1.00 71.32 H new ATOM 1240 N GLN A 84 11.639 -10.497 1.289 1.00 2.14 N ATOM 1241 CA GLN A 84 11.041 -10.350 -0.032 1.00 52.51 C ATOM 1242 C GLN A 84 10.753 -8.884 -0.339 1.00 11.41 C ATOM 1243 O GLN A 84 9.815 -8.299 0.203 1.00 14.23 O ATOM 1244 CB GLN A 84 9.750 -11.165 -0.125 1.00 21.35 C ATOM 1245 CG GLN A 84 9.967 -12.596 -0.591 1.00 14.22 C ATOM 1246 CD GLN A 84 8.696 -13.422 -0.547 1.00 65.35 C ATOM 1247 OE1 GLN A 84 8.693 -14.552 -0.057 1.00 5.31 O ATOM 1248 NE2 GLN A 84 7.608 -12.863 -1.062 1.00 13.42 N ATOM 0 H GLN A 84 11.329 -9.806 1.972 1.00 2.14 H new ATOM 0 HA GLN A 84 11.752 -10.724 -0.768 1.00 52.51 H new ATOM 0 HB2 GLN A 84 9.268 -11.179 0.852 1.00 21.35 H new ATOM 0 HB3 GLN A 84 9.065 -10.668 -0.812 1.00 21.35 H new ATOM 0 HG2 GLN A 84 10.356 -12.588 -1.609 1.00 14.22 H new ATOM 0 HG3 GLN A 84 10.724 -13.067 0.035 1.00 14.22 H new ATOM 0 HE21 GLN A 84 7.656 -11.924 -1.458 1.00 13.42 H new ATOM 0 HE22 GLN A 84 6.724 -13.372 -1.062 1.00 13.42 H new ATOM 1257 N ILE A 85 11.566 -8.296 -1.210 1.00 74.15 N ATOM 1258 CA ILE A 85 11.397 -6.899 -1.589 1.00 41.34 C ATOM 1259 C ILE A 85 11.400 -6.736 -3.106 1.00 4.04 C ATOM 1260 O ILE A 85 12.403 -6.334 -3.695 1.00 43.54 O ATOM 1261 CB ILE A 85 12.505 -6.015 -0.987 1.00 50.51 C ATOM 1262 CG1 ILE A 85 13.878 -6.649 -1.221 1.00 34.02 C ATOM 1263 CG2 ILE A 85 12.261 -5.799 0.499 1.00 2.11 C ATOM 1264 CD1 ILE A 85 14.950 -5.649 -1.594 1.00 33.32 C ATOM 0 H ILE A 85 12.348 -8.765 -1.666 1.00 74.15 H new ATOM 0 HA ILE A 85 10.433 -6.579 -1.194 1.00 41.34 H new ATOM 0 HB ILE A 85 12.485 -5.045 -1.483 1.00 50.51 H new ATOM 0 HG12 ILE A 85 14.184 -7.177 -0.318 1.00 34.02 H new ATOM 0 HG13 ILE A 85 13.795 -7.393 -2.013 1.00 34.02 H new ATOM 0 HG21 ILE A 85 13.052 -5.172 0.910 1.00 2.11 H new ATOM 0 HG22 ILE A 85 11.298 -5.308 0.642 1.00 2.11 H new ATOM 0 HG23 ILE A 85 12.257 -6.761 1.011 1.00 2.11 H new ATOM 0 HD11 ILE A 85 15.896 -6.169 -1.745 1.00 33.32 H new ATOM 0 HD12 ILE A 85 14.666 -5.138 -2.514 1.00 33.32 H new ATOM 0 HD13 ILE A 85 15.061 -4.919 -0.793 1.00 33.32 H new