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 35 LYS NZ :NH3+ -112:sc= -0.218 (180deg=0) USER MOD Set 1.2: A 37 SER OG : rot 136:sc= -0.0599 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.0386 X(o=-0.039,f=-0.14) USER MOD Single : A 13 ASN : amide:sc= -0.512 K(o=-0.51,f=-2.4) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 170:sc= 0 USER MOD Single : A 38 SER OG : rot 24:sc= 0.746 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 62:sc= 0.113 USER MOD Single : A 45 THR OG1 : rot 30:sc= 0.58 USER MOD Single : A 49 TYR OH : rot 165:sc= -1.66 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.823 K(o=-0.82,f=-6.3!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot -83:sc= 1.25 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 53:sc= 0.192 USER MOD Single : A 68 SER OG : rot -44:sc= 1.01 USER MOD Single : A 71 SER OG : rot 52:sc= 0.0288 USER MOD Single : A 77 ASN : amide:sc= -1.98! C(o=-2!,f=-1.9!) USER MOD Single : A 78 SER OG : rot 180:sc= 0.078 USER MOD Single : A 80 SER OG : rot 100:sc= -0.868 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc=-0.00657 X(o=-0.0066,f=0.032) USER MOD ----------------------------------------------------------------- ATOM 52 N GLU A 5 7.512 -8.548 -7.740 1.00 2.52 N ATOM 53 CA GLU A 5 6.930 -9.779 -8.261 1.00 44.20 C ATOM 54 C GLU A 5 7.827 -10.976 -7.957 1.00 43.53 C ATOM 55 O GLU A 5 8.798 -11.234 -8.668 1.00 63.25 O ATOM 56 CB GLU A 5 6.707 -9.665 -9.771 1.00 5.35 C ATOM 57 CG GLU A 5 5.253 -9.814 -10.184 1.00 60.20 C ATOM 58 CD GLU A 5 4.429 -8.580 -9.874 1.00 54.24 C ATOM 59 OE1 GLU A 5 4.129 -8.351 -8.684 1.00 11.32 O ATOM 60 OE2 GLU A 5 4.083 -7.843 -10.822 1.00 21.43 O ATOM 0 HA GLU A 5 5.969 -9.933 -7.770 1.00 44.20 H new ATOM 0 HB2 GLU A 5 7.076 -8.698 -10.112 1.00 5.35 H new ATOM 0 HB3 GLU A 5 7.299 -10.428 -10.276 1.00 5.35 H new ATOM 0 HG2 GLU A 5 5.202 -10.021 -11.253 1.00 60.20 H new ATOM 0 HG3 GLU A 5 4.820 -10.673 -9.672 1.00 60.20 H new ATOM 67 N VAL A 6 7.495 -11.702 -6.895 1.00 72.31 N ATOM 68 CA VAL A 6 8.269 -12.872 -6.496 1.00 53.14 C ATOM 69 C VAL A 6 7.573 -14.161 -6.919 1.00 22.13 C ATOM 70 O VAL A 6 6.451 -14.440 -6.496 1.00 54.42 O ATOM 71 CB VAL A 6 8.499 -12.900 -4.974 1.00 35.43 C ATOM 72 CG1 VAL A 6 9.088 -14.236 -4.547 1.00 60.24 C ATOM 73 CG2 VAL A 6 9.400 -11.751 -4.550 1.00 0.23 C ATOM 0 H VAL A 6 6.695 -11.501 -6.295 1.00 72.31 H new ATOM 0 HA VAL A 6 9.233 -12.801 -7.000 1.00 53.14 H new ATOM 0 HB VAL A 6 7.537 -12.779 -4.477 1.00 35.43 H new ATOM 0 HG11 VAL A 6 9.244 -14.237 -3.468 1.00 60.24 H new ATOM 0 HG12 VAL A 6 8.401 -15.039 -4.815 1.00 60.24 H new ATOM 0 HG13 VAL A 6 10.042 -14.391 -5.051 1.00 60.24 H new ATOM 0 HG21 VAL A 6 9.552 -11.787 -3.471 1.00 0.23 H new ATOM 0 HG22 VAL A 6 10.362 -11.838 -5.055 1.00 0.23 H new ATOM 0 HG23 VAL A 6 8.933 -10.804 -4.820 1.00 0.23 H new ATOM 83 N ILE A 7 8.247 -14.944 -7.754 1.00 23.31 N ATOM 84 CA ILE A 7 7.694 -16.205 -8.232 1.00 65.41 C ATOM 85 C ILE A 7 8.594 -17.378 -7.856 1.00 1.20 C ATOM 86 O ILE A 7 9.687 -17.535 -8.400 1.00 4.12 O ATOM 87 CB ILE A 7 7.500 -16.192 -9.760 1.00 10.42 C ATOM 88 CG1 ILE A 7 7.071 -17.575 -10.254 1.00 12.33 C ATOM 89 CG2 ILE A 7 8.780 -15.749 -10.453 1.00 22.43 C ATOM 90 CD1 ILE A 7 6.756 -17.617 -11.733 1.00 22.44 C ATOM 0 H ILE A 7 9.177 -14.728 -8.114 1.00 23.31 H new ATOM 0 HA ILE A 7 6.723 -16.326 -7.751 1.00 65.41 H new ATOM 0 HB ILE A 7 6.712 -15.480 -10.005 1.00 10.42 H new ATOM 0 HG12 ILE A 7 7.864 -18.291 -10.039 1.00 12.33 H new ATOM 0 HG13 ILE A 7 6.192 -17.895 -9.694 1.00 12.33 H new ATOM 0 HG21 ILE A 7 8.627 -15.745 -11.532 1.00 22.43 H new ATOM 0 HG22 ILE A 7 9.045 -14.745 -10.120 1.00 22.43 H new ATOM 0 HG23 ILE A 7 9.586 -16.439 -10.204 1.00 22.43 H new ATOM 0 HD11 ILE A 7 6.459 -18.628 -12.013 1.00 22.44 H new ATOM 0 HD12 ILE A 7 5.942 -16.926 -11.951 1.00 22.44 H new ATOM 0 HD13 ILE A 7 7.640 -17.328 -12.302 1.00 22.44 H new ATOM 102 N VAL A 8 8.126 -18.200 -6.923 1.00 32.42 N ATOM 103 CA VAL A 8 8.886 -19.361 -6.475 1.00 62.24 C ATOM 104 C VAL A 8 8.056 -20.636 -6.580 1.00 42.41 C ATOM 105 O VAL A 8 6.857 -20.632 -6.302 1.00 32.40 O ATOM 106 CB VAL A 8 9.366 -19.192 -5.021 1.00 54.25 C ATOM 107 CG1 VAL A 8 10.312 -20.319 -4.636 1.00 51.33 C ATOM 108 CG2 VAL A 8 10.032 -17.837 -4.835 1.00 65.32 C ATOM 0 H VAL A 8 7.224 -18.084 -6.462 1.00 32.42 H new ATOM 0 HA VAL A 8 9.754 -19.441 -7.129 1.00 62.24 H new ATOM 0 HB VAL A 8 8.499 -19.238 -4.362 1.00 54.25 H new ATOM 0 HG11 VAL A 8 10.640 -20.182 -3.606 1.00 51.33 H new ATOM 0 HG12 VAL A 8 9.796 -21.275 -4.729 1.00 51.33 H new ATOM 0 HG13 VAL A 8 11.178 -20.309 -5.297 1.00 51.33 H new ATOM 0 HG21 VAL A 8 10.365 -17.734 -3.802 1.00 65.32 H new ATOM 0 HG22 VAL A 8 10.890 -17.759 -5.503 1.00 65.32 H new ATOM 0 HG23 VAL A 8 9.319 -17.046 -5.067 1.00 65.32 H new ATOM 118 N TYR A 9 8.702 -21.724 -6.982 1.00 63.35 N ATOM 119 CA TYR A 9 8.023 -23.007 -7.126 1.00 4.30 C ATOM 120 C TYR A 9 8.207 -23.863 -5.877 1.00 22.11 C ATOM 121 O TYR A 9 9.311 -23.976 -5.346 1.00 5.31 O ATOM 122 CB TYR A 9 8.552 -23.753 -8.352 1.00 2.00 C ATOM 123 CG TYR A 9 7.938 -23.291 -9.654 1.00 13.21 C ATOM 124 CD1 TYR A 9 7.975 -21.952 -10.026 1.00 22.53 C ATOM 125 CD2 TYR A 9 7.319 -24.192 -10.511 1.00 51.25 C ATOM 126 CE1 TYR A 9 7.415 -21.525 -11.214 1.00 35.31 C ATOM 127 CE2 TYR A 9 6.757 -23.774 -11.702 1.00 50.12 C ATOM 128 CZ TYR A 9 6.807 -22.440 -12.049 1.00 1.21 C ATOM 129 OH TYR A 9 6.247 -22.019 -13.233 1.00 61.35 O ATOM 0 H TYR A 9 9.695 -21.744 -7.214 1.00 63.35 H new ATOM 0 HA TYR A 9 6.959 -22.814 -7.258 1.00 4.30 H new ATOM 0 HB2 TYR A 9 9.633 -23.627 -8.405 1.00 2.00 H new ATOM 0 HB3 TYR A 9 8.361 -24.819 -8.228 1.00 2.00 H new ATOM 0 HD1 TYR A 9 8.450 -21.233 -9.375 1.00 22.53 H new ATOM 0 HD2 TYR A 9 7.276 -25.237 -10.242 1.00 51.25 H new ATOM 0 HE1 TYR A 9 7.453 -20.481 -11.488 1.00 35.31 H new ATOM 0 HE2 TYR A 9 6.281 -24.488 -12.358 1.00 50.12 H new ATOM 0 HH TYR A 9 5.861 -22.787 -13.704 1.00 61.35 H new ATOM 139 N GLU A 10 7.116 -24.465 -5.414 1.00 70.33 N ATOM 140 CA GLU A 10 7.156 -25.312 -4.228 1.00 2.33 C ATOM 141 C GLU A 10 7.342 -26.777 -4.611 1.00 24.13 C ATOM 142 O GLU A 10 6.675 -27.661 -4.072 1.00 50.11 O ATOM 143 CB GLU A 10 5.873 -25.146 -3.412 1.00 14.43 C ATOM 144 CG GLU A 10 5.945 -25.772 -2.029 1.00 52.12 C ATOM 145 CD GLU A 10 5.183 -24.976 -0.988 1.00 14.03 C ATOM 146 OE1 GLU A 10 5.252 -23.730 -1.024 1.00 43.22 O ATOM 147 OE2 GLU A 10 4.516 -25.600 -0.136 1.00 32.22 O ATOM 0 H GLU A 10 6.194 -24.382 -5.842 1.00 70.33 H new ATOM 0 HA GLU A 10 8.007 -25.002 -3.621 1.00 2.33 H new ATOM 0 HB2 GLU A 10 5.653 -24.083 -3.309 1.00 14.43 H new ATOM 0 HB3 GLU A 10 5.043 -25.592 -3.961 1.00 14.43 H new ATOM 0 HG2 GLU A 10 5.544 -26.785 -2.071 1.00 52.12 H new ATOM 0 HG3 GLU A 10 6.989 -25.855 -1.726 1.00 52.12 H new ATOM 154 N HIS A 11 8.254 -27.027 -5.545 1.00 70.24 N ATOM 155 CA HIS A 11 8.529 -28.385 -6.001 1.00 73.23 C ATOM 156 C HIS A 11 9.520 -28.379 -7.161 1.00 41.31 C ATOM 157 O HIS A 11 10.114 -27.348 -7.478 1.00 55.22 O ATOM 158 CB HIS A 11 7.232 -29.075 -6.427 1.00 43.12 C ATOM 159 CG HIS A 11 6.904 -30.288 -5.612 1.00 54.15 C ATOM 160 ND1 HIS A 11 7.809 -31.300 -5.370 1.00 53.50 N ATOM 161 CD2 HIS A 11 5.761 -30.648 -4.981 1.00 45.34 C ATOM 162 CE1 HIS A 11 7.237 -32.230 -4.627 1.00 10.03 C ATOM 163 NE2 HIS A 11 5.994 -31.858 -4.377 1.00 25.34 N ATOM 0 H HIS A 11 8.815 -26.307 -6.001 1.00 70.24 H new ATOM 0 HA HIS A 11 8.971 -28.937 -5.172 1.00 73.23 H new ATOM 0 HB2 HIS A 11 6.410 -28.363 -6.352 1.00 43.12 H new ATOM 0 HB3 HIS A 11 7.310 -29.362 -7.476 1.00 43.12 H new ATOM 0 HD2 HIS A 11 4.838 -30.087 -4.958 1.00 45.34 H new ATOM 0 HE1 HIS A 11 7.706 -33.140 -4.282 1.00 10.03 H new ATOM 0 HE2 HIS A 11 5.317 -32.385 -3.825 1.00 25.34 H new ATOM 171 N VAL A 12 9.695 -29.537 -7.790 1.00 41.52 N ATOM 172 CA VAL A 12 10.614 -29.664 -8.915 1.00 22.22 C ATOM 173 C VAL A 12 10.160 -28.813 -10.095 1.00 74.54 C ATOM 174 O VAL A 12 8.995 -28.426 -10.182 1.00 63.02 O ATOM 175 CB VAL A 12 10.742 -31.130 -9.371 1.00 43.34 C ATOM 176 CG1 VAL A 12 11.935 -31.298 -10.300 1.00 5.53 C ATOM 177 CG2 VAL A 12 10.858 -32.054 -8.169 1.00 1.24 C ATOM 0 H VAL A 12 9.213 -30.400 -7.540 1.00 41.52 H new ATOM 0 HA VAL A 12 11.587 -29.312 -8.571 1.00 22.22 H new ATOM 0 HB VAL A 12 9.841 -31.400 -9.922 1.00 43.34 H new ATOM 0 HG11 VAL A 12 12.009 -32.340 -10.612 1.00 5.53 H new ATOM 0 HG12 VAL A 12 11.805 -30.665 -11.178 1.00 5.53 H new ATOM 0 HG13 VAL A 12 12.847 -31.010 -9.777 1.00 5.53 H new ATOM 0 HG21 VAL A 12 10.948 -33.085 -8.510 1.00 1.24 H new ATOM 0 HG22 VAL A 12 11.740 -31.786 -7.588 1.00 1.24 H new ATOM 0 HG23 VAL A 12 9.969 -31.954 -7.546 1.00 1.24 H new ATOM 187 N ASN A 13 11.087 -28.527 -11.003 1.00 41.11 N ATOM 188 CA ASN A 13 10.782 -27.721 -12.180 1.00 32.31 C ATOM 189 C ASN A 13 10.220 -28.589 -13.302 1.00 52.11 C ATOM 190 O ASN A 13 10.722 -28.571 -14.426 1.00 51.21 O ATOM 191 CB ASN A 13 12.037 -26.992 -12.664 1.00 15.32 C ATOM 192 CG ASN A 13 11.743 -26.023 -13.793 1.00 72.33 C ATOM 193 OD1 ASN A 13 10.586 -25.810 -14.158 1.00 4.21 O ATOM 194 ND2 ASN A 13 12.792 -25.432 -14.353 1.00 73.14 N ATOM 0 H ASN A 13 12.056 -28.841 -10.947 1.00 41.11 H new ATOM 0 HA ASN A 13 10.028 -26.985 -11.901 1.00 32.31 H new ATOM 0 HB2 ASN A 13 12.483 -26.450 -11.830 1.00 15.32 H new ATOM 0 HB3 ASN A 13 12.773 -27.723 -12.999 1.00 15.32 H new ATOM 0 HD21 ASN A 13 12.657 -24.771 -15.118 1.00 73.14 H new ATOM 0 HD22 ASN A 13 13.733 -25.639 -14.018 1.00 73.14 H new ATOM 201 N PHE A 14 9.174 -29.347 -12.989 1.00 65.42 N ATOM 202 CA PHE A 14 8.544 -30.222 -13.971 1.00 32.44 C ATOM 203 C PHE A 14 7.334 -30.932 -13.369 1.00 3.02 C ATOM 204 O PHE A 14 6.984 -32.039 -13.776 1.00 24.15 O ATOM 205 CB PHE A 14 9.550 -31.254 -14.487 1.00 15.43 C ATOM 206 CG PHE A 14 9.638 -32.485 -13.632 1.00 33.25 C ATOM 207 CD1 PHE A 14 9.775 -32.382 -12.257 1.00 1.33 C ATOM 208 CD2 PHE A 14 9.584 -33.746 -14.203 1.00 33.54 C ATOM 209 CE1 PHE A 14 9.856 -33.513 -11.467 1.00 21.12 C ATOM 210 CE2 PHE A 14 9.664 -34.881 -13.418 1.00 33.32 C ATOM 211 CZ PHE A 14 9.801 -34.764 -12.048 1.00 64.54 C ATOM 0 H PHE A 14 8.745 -29.373 -12.064 1.00 65.42 H new ATOM 0 HA PHE A 14 8.206 -29.607 -14.805 1.00 32.44 H new ATOM 0 HB2 PHE A 14 9.273 -31.544 -15.500 1.00 15.43 H new ATOM 0 HB3 PHE A 14 10.535 -30.791 -14.546 1.00 15.43 H new ATOM 0 HD1 PHE A 14 9.819 -31.406 -11.797 1.00 1.33 H new ATOM 0 HD2 PHE A 14 9.478 -33.843 -15.273 1.00 33.54 H new ATOM 0 HE1 PHE A 14 9.962 -33.418 -10.396 1.00 21.12 H new ATOM 0 HE2 PHE A 14 9.619 -35.858 -13.875 1.00 33.32 H new ATOM 0 HZ PHE A 14 9.865 -35.650 -11.433 1.00 64.54 H new ATOM 221 N GLY A 15 6.700 -30.285 -12.396 1.00 33.13 N ATOM 222 CA GLY A 15 5.537 -30.869 -11.752 1.00 40.35 C ATOM 223 C GLY A 15 5.302 -30.311 -10.363 1.00 3.13 C ATOM 224 O GLY A 15 5.025 -31.058 -9.425 1.00 44.41 O ATOM 0 H GLY A 15 6.970 -29.367 -12.042 1.00 33.13 H new ATOM 0 HA2 GLY A 15 4.656 -30.687 -12.367 1.00 40.35 H new ATOM 0 HA3 GLY A 15 5.665 -31.950 -11.689 1.00 40.35 H new ATOM 228 N GLY A 16 5.415 -28.993 -10.229 1.00 12.23 N ATOM 229 CA GLY A 16 5.212 -28.358 -8.939 1.00 74.25 C ATOM 230 C GLY A 16 4.347 -27.117 -9.034 1.00 52.12 C ATOM 231 O GLY A 16 4.027 -26.655 -10.130 1.00 23.30 O ATOM 0 H GLY A 16 5.643 -28.354 -10.990 1.00 12.23 H new ATOM 0 HA2 GLY A 16 4.748 -29.070 -8.256 1.00 74.25 H new ATOM 0 HA3 GLY A 16 6.179 -28.091 -8.512 1.00 74.25 H new ATOM 235 N LYS A 17 3.965 -26.575 -7.883 1.00 13.31 N ATOM 236 CA LYS A 17 3.131 -25.379 -7.839 1.00 31.41 C ATOM 237 C LYS A 17 3.985 -24.125 -7.682 1.00 63.54 C ATOM 238 O LYS A 17 5.148 -24.201 -7.285 1.00 11.30 O ATOM 239 CB LYS A 17 2.129 -25.474 -6.686 1.00 53.32 C ATOM 240 CG LYS A 17 2.782 -25.588 -5.320 1.00 3.41 C ATOM 241 CD LYS A 17 2.834 -24.244 -4.613 1.00 4.31 C ATOM 242 CE LYS A 17 1.443 -23.757 -4.238 1.00 1.14 C ATOM 243 NZ LYS A 17 1.223 -22.341 -4.643 1.00 72.11 N ATOM 0 H LYS A 17 4.220 -26.945 -6.967 1.00 13.31 H new ATOM 0 HA LYS A 17 2.587 -25.311 -8.781 1.00 31.41 H new ATOM 0 HB2 LYS A 17 1.487 -24.593 -6.700 1.00 53.32 H new ATOM 0 HB3 LYS A 17 1.486 -26.339 -6.845 1.00 53.32 H new ATOM 0 HG2 LYS A 17 2.228 -26.300 -4.709 1.00 3.41 H new ATOM 0 HG3 LYS A 17 3.793 -25.981 -5.430 1.00 3.41 H new ATOM 0 HD2 LYS A 17 3.446 -24.328 -3.715 1.00 4.31 H new ATOM 0 HD3 LYS A 17 3.316 -23.510 -5.259 1.00 4.31 H new ATOM 0 HE2 LYS A 17 0.695 -24.391 -4.714 1.00 1.14 H new ATOM 0 HE3 LYS A 17 1.303 -23.853 -3.161 1.00 1.14 H new ATOM 0 HZ1 LYS A 17 0.264 -22.047 -4.370 1.00 72.11 H new ATOM 0 HZ2 LYS A 17 1.920 -21.732 -4.169 1.00 72.11 H new ATOM 0 HZ3 LYS A 17 1.332 -22.254 -5.674 1.00 72.11 H new ATOM 257 N SER A 18 3.401 -22.974 -7.996 1.00 52.40 N ATOM 258 CA SER A 18 4.110 -21.704 -7.892 1.00 53.52 C ATOM 259 C SER A 18 3.139 -20.562 -7.604 1.00 45.11 C ATOM 260 O SER A 18 1.953 -20.645 -7.922 1.00 51.00 O ATOM 261 CB SER A 18 4.881 -21.419 -9.182 1.00 42.03 C ATOM 262 OG SER A 18 4.028 -20.884 -10.179 1.00 41.03 O ATOM 0 H SER A 18 2.439 -22.894 -8.325 1.00 52.40 H new ATOM 0 HA SER A 18 4.815 -21.776 -7.064 1.00 53.52 H new ATOM 0 HB2 SER A 18 5.691 -20.719 -8.978 1.00 42.03 H new ATOM 0 HB3 SER A 18 5.339 -22.339 -9.546 1.00 42.03 H new ATOM 0 HG SER A 18 4.566 -20.562 -10.932 1.00 41.03 H new ATOM 268 N PHE A 19 3.653 -19.496 -7.000 1.00 1.33 N ATOM 269 CA PHE A 19 2.833 -18.336 -6.667 1.00 23.51 C ATOM 270 C PHE A 19 3.559 -17.040 -7.014 1.00 12.33 C ATOM 271 O PHE A 19 4.752 -16.893 -6.748 1.00 30.11 O ATOM 272 CB PHE A 19 2.472 -18.350 -5.180 1.00 64.41 C ATOM 273 CG PHE A 19 3.584 -17.874 -4.289 1.00 53.10 C ATOM 274 CD1 PHE A 19 4.698 -18.666 -4.065 1.00 32.53 C ATOM 275 CD2 PHE A 19 3.514 -16.634 -3.675 1.00 52.43 C ATOM 276 CE1 PHE A 19 5.722 -18.231 -3.246 1.00 4.15 C ATOM 277 CE2 PHE A 19 4.535 -16.193 -2.856 1.00 5.45 C ATOM 278 CZ PHE A 19 5.640 -16.993 -2.639 1.00 45.34 C ATOM 0 H PHE A 19 4.633 -19.411 -6.731 1.00 1.33 H new ATOM 0 HA PHE A 19 1.917 -18.388 -7.256 1.00 23.51 H new ATOM 0 HB2 PHE A 19 1.596 -17.722 -5.021 1.00 64.41 H new ATOM 0 HB3 PHE A 19 2.194 -19.364 -4.891 1.00 64.41 H new ATOM 0 HD1 PHE A 19 4.767 -19.635 -4.536 1.00 32.53 H new ATOM 0 HD2 PHE A 19 2.651 -16.005 -3.839 1.00 52.43 H new ATOM 0 HE1 PHE A 19 6.586 -18.858 -3.081 1.00 4.15 H new ATOM 0 HE2 PHE A 19 4.469 -15.223 -2.385 1.00 5.45 H new ATOM 0 HZ PHE A 19 6.438 -16.651 -1.996 1.00 45.34 H new ATOM 288 N ASP A 20 2.830 -16.102 -7.609 1.00 71.20 N ATOM 289 CA ASP A 20 3.403 -14.817 -7.992 1.00 54.14 C ATOM 290 C ASP A 20 2.824 -13.689 -7.143 1.00 72.35 C ATOM 291 O ASP A 20 2.089 -12.838 -7.643 1.00 1.42 O ATOM 292 CB ASP A 20 3.144 -14.541 -9.474 1.00 52.13 C ATOM 293 CG ASP A 20 1.768 -14.998 -9.917 1.00 15.54 C ATOM 294 OD1 ASP A 20 0.784 -14.289 -9.619 1.00 14.13 O ATOM 295 OD2 ASP A 20 1.674 -16.064 -10.560 1.00 62.10 O ATOM 0 H ASP A 20 1.841 -16.208 -7.836 1.00 71.20 H new ATOM 0 HA ASP A 20 4.479 -14.861 -7.821 1.00 54.14 H new ATOM 0 HB2 ASP A 20 3.248 -13.473 -9.665 1.00 52.13 H new ATOM 0 HB3 ASP A 20 3.902 -15.047 -10.072 1.00 52.13 H new ATOM 473 N LYS A 35 14.361 -30.125 1.681 1.00 51.04 N ATOM 474 CA LYS A 35 13.469 -29.573 0.667 1.00 23.14 C ATOM 475 C LYS A 35 14.103 -29.655 -0.718 1.00 33.32 C ATOM 476 O LYS A 35 15.295 -29.932 -0.849 1.00 44.25 O ATOM 477 CB LYS A 35 13.127 -28.119 0.998 1.00 53.43 C ATOM 478 CG LYS A 35 14.346 -27.228 1.160 1.00 24.21 C ATOM 479 CD LYS A 35 14.631 -26.435 -0.105 1.00 34.53 C ATOM 480 CE LYS A 35 13.548 -25.400 -0.369 1.00 30.34 C ATOM 481 NZ LYS A 35 13.313 -25.203 -1.826 1.00 34.02 N ATOM 0 HA LYS A 35 12.553 -30.164 0.663 1.00 23.14 H new ATOM 0 HB2 LYS A 35 12.495 -27.715 0.208 1.00 53.43 H new ATOM 0 HB3 LYS A 35 12.543 -28.092 1.918 1.00 53.43 H new ATOM 0 HG2 LYS A 35 14.188 -26.542 1.992 1.00 24.21 H new ATOM 0 HG3 LYS A 35 15.213 -27.839 1.410 1.00 24.21 H new ATOM 0 HD2 LYS A 35 15.597 -25.938 -0.014 1.00 34.53 H new ATOM 0 HD3 LYS A 35 14.701 -27.115 -0.954 1.00 34.53 H new ATOM 0 HE2 LYS A 35 12.620 -25.715 0.109 1.00 30.34 H new ATOM 0 HE3 LYS A 35 13.834 -24.451 0.084 1.00 30.34 H new ATOM 0 HZ1 LYS A 35 13.629 -24.252 -2.103 1.00 34.02 H new ATOM 0 HZ2 LYS A 35 13.847 -25.916 -2.363 1.00 34.02 H new ATOM 0 HZ3 LYS A 35 12.298 -25.304 -2.031 1.00 34.02 H new ATOM 495 N ILE A 36 13.298 -29.412 -1.747 1.00 31.43 N ATOM 496 CA ILE A 36 13.781 -29.457 -3.121 1.00 44.41 C ATOM 497 C ILE A 36 12.827 -28.731 -4.063 1.00 74.33 C ATOM 498 O ILE A 36 11.682 -29.146 -4.244 1.00 32.13 O ATOM 499 CB ILE A 36 13.962 -30.906 -3.608 1.00 24.51 C ATOM 500 CG1 ILE A 36 14.357 -30.926 -5.086 1.00 51.21 C ATOM 501 CG2 ILE A 36 12.686 -31.704 -3.384 1.00 50.53 C ATOM 502 CD1 ILE A 36 15.464 -31.906 -5.403 1.00 65.11 C ATOM 0 H ILE A 36 12.309 -29.182 -1.655 1.00 31.43 H new ATOM 0 HA ILE A 36 14.749 -28.956 -3.131 1.00 44.41 H new ATOM 0 HB ILE A 36 14.763 -31.369 -3.032 1.00 24.51 H new ATOM 0 HG12 ILE A 36 13.481 -31.175 -5.684 1.00 51.21 H new ATOM 0 HG13 ILE A 36 14.672 -29.926 -5.383 1.00 51.21 H new ATOM 0 HG21 ILE A 36 12.830 -32.726 -3.734 1.00 50.53 H new ATOM 0 HG22 ILE A 36 12.445 -31.714 -2.321 1.00 50.53 H new ATOM 0 HG23 ILE A 36 11.867 -31.244 -3.937 1.00 50.53 H new ATOM 0 HD11 ILE A 36 15.691 -31.866 -6.468 1.00 65.11 H new ATOM 0 HD12 ILE A 36 16.355 -31.646 -4.832 1.00 65.11 H new ATOM 0 HD13 ILE A 36 15.145 -32.914 -5.138 1.00 65.11 H new ATOM 514 N SER A 37 13.306 -27.647 -4.663 1.00 43.34 N ATOM 515 CA SER A 37 12.495 -26.862 -5.586 1.00 51.25 C ATOM 516 C SER A 37 13.359 -25.875 -6.366 1.00 22.24 C ATOM 517 O SER A 37 14.587 -25.963 -6.352 1.00 70.21 O ATOM 518 CB SER A 37 11.402 -26.109 -4.825 1.00 21.12 C ATOM 519 OG SER A 37 11.915 -24.930 -4.230 1.00 42.30 O ATOM 0 H SER A 37 14.252 -27.292 -4.527 1.00 43.34 H new ATOM 0 HA SER A 37 12.029 -27.548 -6.293 1.00 51.25 H new ATOM 0 HB2 SER A 37 10.591 -25.853 -5.506 1.00 21.12 H new ATOM 0 HB3 SER A 37 10.980 -26.755 -4.055 1.00 21.12 H new ATOM 0 HG SER A 37 11.290 -24.190 -4.378 1.00 42.30 H new ATOM 525 N SER A 38 12.708 -24.936 -7.044 1.00 45.33 N ATOM 526 CA SER A 38 13.416 -23.934 -7.833 1.00 41.11 C ATOM 527 C SER A 38 13.035 -22.525 -7.390 1.00 13.32 C ATOM 528 O SER A 38 11.919 -22.289 -6.924 1.00 62.54 O ATOM 529 CB SER A 38 13.107 -24.114 -9.321 1.00 2.14 C ATOM 530 OG SER A 38 13.862 -23.212 -10.111 1.00 62.10 O ATOM 0 H SER A 38 11.692 -24.848 -7.063 1.00 45.33 H new ATOM 0 HA SER A 38 14.485 -24.070 -7.672 1.00 41.11 H new ATOM 0 HB2 SER A 38 13.329 -25.138 -9.620 1.00 2.14 H new ATOM 0 HB3 SER A 38 12.043 -23.954 -9.497 1.00 2.14 H new ATOM 0 HG SER A 38 14.669 -22.946 -9.623 1.00 62.10 H new ATOM 536 N ILE A 39 13.969 -21.592 -7.538 1.00 0.33 N ATOM 537 CA ILE A 39 13.731 -20.206 -7.154 1.00 43.30 C ATOM 538 C ILE A 39 13.901 -19.269 -8.345 1.00 43.30 C ATOM 539 O ILE A 39 14.997 -19.130 -8.889 1.00 1.22 O ATOM 540 CB ILE A 39 14.683 -19.763 -6.027 1.00 15.43 C ATOM 541 CG1 ILE A 39 14.085 -20.107 -4.661 1.00 1.12 C ATOM 542 CG2 ILE A 39 14.964 -18.271 -6.127 1.00 40.10 C ATOM 543 CD1 ILE A 39 13.682 -21.559 -4.526 1.00 41.32 C ATOM 0 H ILE A 39 14.897 -21.770 -7.921 1.00 0.33 H new ATOM 0 HA ILE A 39 12.704 -20.150 -6.794 1.00 43.30 H new ATOM 0 HB ILE A 39 15.626 -20.299 -6.136 1.00 15.43 H new ATOM 0 HG12 ILE A 39 14.811 -19.866 -3.885 1.00 1.12 H new ATOM 0 HG13 ILE A 39 13.212 -19.478 -4.487 1.00 1.12 H new ATOM 0 HG21 ILE A 39 15.638 -17.973 -5.324 1.00 40.10 H new ATOM 0 HG22 ILE A 39 15.427 -18.052 -7.089 1.00 40.10 H new ATOM 0 HG23 ILE A 39 14.029 -17.718 -6.040 1.00 40.10 H new ATOM 0 HD11 ILE A 39 13.266 -21.730 -3.533 1.00 41.32 H new ATOM 0 HD12 ILE A 39 12.932 -21.800 -5.280 1.00 41.32 H new ATOM 0 HD13 ILE A 39 14.556 -22.194 -4.668 1.00 41.32 H new ATOM 555 N LYS A 40 12.810 -18.626 -8.745 1.00 53.52 N ATOM 556 CA LYS A 40 12.837 -17.698 -9.870 1.00 35.10 C ATOM 557 C LYS A 40 12.660 -16.260 -9.394 1.00 1.24 C ATOM 558 O LYS A 40 11.639 -15.913 -8.799 1.00 43.02 O ATOM 559 CB LYS A 40 11.739 -18.052 -10.876 1.00 14.24 C ATOM 560 CG LYS A 40 11.953 -17.442 -12.250 1.00 11.41 C ATOM 561 CD LYS A 40 10.656 -17.377 -13.040 1.00 25.41 C ATOM 562 CE LYS A 40 10.817 -17.987 -14.424 1.00 75.30 C ATOM 563 NZ LYS A 40 11.695 -17.160 -15.296 1.00 41.15 N ATOM 0 H LYS A 40 11.895 -18.730 -8.307 1.00 53.52 H new ATOM 0 HA LYS A 40 13.809 -17.784 -10.356 1.00 35.10 H new ATOM 0 HB2 LYS A 40 11.683 -19.136 -10.974 1.00 14.24 H new ATOM 0 HB3 LYS A 40 10.778 -17.718 -10.485 1.00 14.24 H new ATOM 0 HG2 LYS A 40 12.366 -16.439 -12.143 1.00 11.41 H new ATOM 0 HG3 LYS A 40 12.686 -18.031 -12.801 1.00 11.41 H new ATOM 0 HD2 LYS A 40 9.871 -17.904 -12.498 1.00 25.41 H new ATOM 0 HD3 LYS A 40 10.337 -16.339 -13.133 1.00 25.41 H new ATOM 0 HE2 LYS A 40 11.236 -18.989 -14.333 1.00 75.30 H new ATOM 0 HE3 LYS A 40 9.838 -18.092 -14.890 1.00 75.30 H new ATOM 0 HZ1 LYS A 40 11.779 -17.610 -16.230 1.00 41.15 H new ATOM 0 HZ2 LYS A 40 11.282 -16.211 -15.404 1.00 41.15 H new ATOM 0 HZ3 LYS A 40 12.638 -17.080 -14.864 1.00 41.15 H new ATOM 577 N VAL A 41 13.661 -15.426 -9.660 1.00 34.04 N ATOM 578 CA VAL A 41 13.614 -14.025 -9.260 1.00 45.54 C ATOM 579 C VAL A 41 13.290 -13.125 -10.448 1.00 34.22 C ATOM 580 O VAL A 41 13.791 -13.332 -11.553 1.00 72.02 O ATOM 581 CB VAL A 41 14.950 -13.574 -8.639 1.00 51.42 C ATOM 582 CG1 VAL A 41 14.809 -12.194 -8.014 1.00 45.04 C ATOM 583 CG2 VAL A 41 15.428 -14.588 -7.611 1.00 11.41 C ATOM 0 H VAL A 41 14.513 -15.697 -10.150 1.00 34.04 H new ATOM 0 HA VAL A 41 12.825 -13.935 -8.513 1.00 45.54 H new ATOM 0 HB VAL A 41 15.697 -13.513 -9.430 1.00 51.42 H new ATOM 0 HG11 VAL A 41 15.762 -11.892 -7.580 1.00 45.04 H new ATOM 0 HG12 VAL A 41 14.515 -11.476 -8.780 1.00 45.04 H new ATOM 0 HG13 VAL A 41 14.049 -12.224 -7.234 1.00 45.04 H new ATOM 0 HG21 VAL A 41 16.373 -14.254 -7.182 1.00 11.41 H new ATOM 0 HG22 VAL A 41 14.684 -14.683 -6.820 1.00 11.41 H new ATOM 0 HG23 VAL A 41 15.570 -15.555 -8.093 1.00 11.41 H new ATOM 593 N LYS A 42 12.447 -12.125 -10.212 1.00 44.13 N ATOM 594 CA LYS A 42 12.055 -11.191 -11.261 1.00 65.02 C ATOM 595 C LYS A 42 11.725 -9.822 -10.675 1.00 61.02 C ATOM 596 O LYS A 42 10.776 -9.165 -11.104 1.00 65.31 O ATOM 597 CB LYS A 42 10.849 -11.733 -12.030 1.00 74.14 C ATOM 598 CG LYS A 42 10.898 -11.445 -13.521 1.00 14.32 C ATOM 599 CD LYS A 42 10.095 -10.204 -13.875 1.00 43.05 C ATOM 600 CE LYS A 42 10.992 -8.984 -14.025 1.00 71.41 C ATOM 601 NZ LYS A 42 11.475 -8.819 -15.424 1.00 20.50 N ATOM 0 H LYS A 42 12.022 -11.941 -9.303 1.00 44.13 H new ATOM 0 HA LYS A 42 12.895 -11.080 -11.947 1.00 65.02 H new ATOM 0 HB2 LYS A 42 10.787 -12.811 -11.879 1.00 74.14 H new ATOM 0 HB3 LYS A 42 9.939 -11.300 -11.615 1.00 74.14 H new ATOM 0 HG2 LYS A 42 11.934 -11.311 -13.833 1.00 14.32 H new ATOM 0 HG3 LYS A 42 10.508 -12.301 -14.071 1.00 14.32 H new ATOM 0 HD2 LYS A 42 9.551 -10.374 -14.804 1.00 43.05 H new ATOM 0 HD3 LYS A 42 9.351 -10.017 -13.100 1.00 43.05 H new ATOM 0 HE2 LYS A 42 10.445 -8.091 -13.722 1.00 71.41 H new ATOM 0 HE3 LYS A 42 11.846 -9.077 -13.354 1.00 71.41 H new ATOM 0 HZ1 LYS A 42 12.083 -7.977 -15.484 1.00 20.50 H new ATOM 0 HZ2 LYS A 42 12.019 -9.660 -15.705 1.00 20.50 H new ATOM 0 HZ3 LYS A 42 10.661 -8.705 -16.061 1.00 20.50 H new ATOM 615 N SER A 43 12.515 -9.397 -9.694 1.00 34.21 N ATOM 616 CA SER A 43 12.304 -8.107 -9.048 1.00 21.03 C ATOM 617 C SER A 43 13.338 -7.874 -7.950 1.00 71.11 C ATOM 618 O SER A 43 13.330 -8.548 -6.921 1.00 32.10 O ATOM 619 CB SER A 43 10.894 -8.031 -8.460 1.00 33.20 C ATOM 620 OG SER A 43 10.104 -7.079 -9.151 1.00 12.22 O ATOM 0 H SER A 43 13.307 -9.927 -9.329 1.00 34.21 H new ATOM 0 HA SER A 43 12.418 -7.328 -9.802 1.00 21.03 H new ATOM 0 HB2 SER A 43 10.420 -9.011 -8.516 1.00 33.20 H new ATOM 0 HB3 SER A 43 10.951 -7.764 -7.405 1.00 33.20 H new ATOM 0 HG SER A 43 10.006 -7.353 -10.087 1.00 12.22 H new ATOM 626 N GLY A 44 14.228 -6.913 -8.179 1.00 23.35 N ATOM 627 CA GLY A 44 15.257 -6.608 -7.201 1.00 52.54 C ATOM 628 C GLY A 44 16.036 -7.836 -6.776 1.00 33.23 C ATOM 629 O GLY A 44 16.321 -8.714 -7.591 1.00 45.32 O ATOM 0 H GLY A 44 14.255 -6.341 -9.023 1.00 23.35 H new ATOM 0 HA2 GLY A 44 15.944 -5.872 -7.619 1.00 52.54 H new ATOM 0 HA3 GLY A 44 14.797 -6.152 -6.324 1.00 52.54 H new ATOM 633 N THR A 45 16.383 -7.900 -5.494 1.00 33.51 N ATOM 634 CA THR A 45 17.136 -9.029 -4.962 1.00 11.14 C ATOM 635 C THR A 45 16.794 -9.276 -3.497 1.00 32.42 C ATOM 636 O THR A 45 16.915 -8.380 -2.662 1.00 20.34 O ATOM 637 CB THR A 45 18.654 -8.802 -5.091 1.00 71.42 C ATOM 638 OG1 THR A 45 19.363 -9.794 -4.341 1.00 21.44 O ATOM 639 CG2 THR A 45 19.038 -7.415 -4.598 1.00 62.54 C ATOM 0 H THR A 45 16.154 -7.183 -4.805 1.00 33.51 H new ATOM 0 HA THR A 45 16.855 -9.902 -5.551 1.00 11.14 H new ATOM 0 HB THR A 45 18.923 -8.883 -6.144 1.00 71.42 H new ATOM 0 HG1 THR A 45 18.841 -10.623 -4.319 1.00 21.44 H new ATOM 0 HG21 THR A 45 20.115 -7.278 -4.699 1.00 62.54 H new ATOM 0 HG22 THR A 45 18.519 -6.662 -5.191 1.00 62.54 H new ATOM 0 HG23 THR A 45 18.756 -7.310 -3.550 1.00 62.54 H new ATOM 647 N TRP A 46 16.367 -10.496 -3.192 1.00 71.51 N ATOM 648 CA TRP A 46 16.008 -10.861 -1.826 1.00 72.54 C ATOM 649 C TRP A 46 17.231 -11.340 -1.051 1.00 54.34 C ATOM 650 O TRP A 46 18.348 -11.331 -1.569 1.00 55.51 O ATOM 651 CB TRP A 46 14.935 -11.951 -1.833 1.00 74.33 C ATOM 652 CG TRP A 46 14.018 -11.874 -3.016 1.00 74.53 C ATOM 653 CD1 TRP A 46 13.326 -10.778 -3.448 1.00 25.43 C ATOM 654 CD2 TRP A 46 13.691 -12.938 -3.918 1.00 10.32 C ATOM 655 NE1 TRP A 46 12.590 -11.096 -4.563 1.00 73.32 N ATOM 656 CE2 TRP A 46 12.797 -12.415 -4.872 1.00 53.43 C ATOM 657 CE3 TRP A 46 14.068 -14.280 -4.013 1.00 43.21 C ATOM 658 CZ2 TRP A 46 12.275 -13.188 -5.906 1.00 21.23 C ATOM 659 CZ3 TRP A 46 13.549 -15.046 -5.039 1.00 64.41 C ATOM 660 CH2 TRP A 46 12.662 -14.499 -5.975 1.00 35.12 C ATOM 0 H TRP A 46 16.261 -11.249 -3.872 1.00 71.51 H new ATOM 0 HA TRP A 46 15.612 -9.974 -1.332 1.00 72.54 H new ATOM 0 HB2 TRP A 46 15.419 -12.928 -1.821 1.00 74.33 H new ATOM 0 HB3 TRP A 46 14.345 -11.876 -0.920 1.00 74.33 H new ATOM 0 HD1 TRP A 46 13.354 -9.804 -2.981 1.00 25.43 H new ATOM 0 HE1 TRP A 46 11.987 -10.454 -5.078 1.00 73.32 H new ATOM 0 HE3 TRP A 46 14.753 -14.711 -3.297 1.00 43.21 H new ATOM 0 HZ2 TRP A 46 11.590 -12.768 -6.627 1.00 21.23 H new ATOM 0 HZ3 TRP A 46 13.832 -16.085 -5.121 1.00 64.41 H new ATOM 0 HH2 TRP A 46 12.276 -15.124 -6.767 1.00 35.12 H new ATOM 671 N ARG A 47 17.012 -11.757 0.191 1.00 23.23 N ATOM 672 CA ARG A 47 18.098 -12.238 1.037 1.00 34.35 C ATOM 673 C ARG A 47 17.703 -13.532 1.744 1.00 5.23 C ATOM 674 O ARG A 47 16.736 -13.566 2.505 1.00 72.12 O ATOM 675 CB ARG A 47 18.477 -11.175 2.070 1.00 21.43 C ATOM 676 CG ARG A 47 18.791 -9.819 1.461 1.00 53.30 C ATOM 677 CD ARG A 47 17.557 -8.931 1.412 1.00 33.33 C ATOM 678 NE ARG A 47 17.750 -7.684 2.147 1.00 43.13 N ATOM 679 CZ ARG A 47 18.547 -6.704 1.734 1.00 30.21 C ATOM 680 NH1 ARG A 47 19.220 -6.827 0.599 1.00 43.34 N ATOM 681 NH2 ARG A 47 18.671 -5.599 2.458 1.00 51.02 N ATOM 0 H ARG A 47 16.093 -11.772 0.634 1.00 23.23 H new ATOM 0 HA ARG A 47 18.960 -12.440 0.401 1.00 34.35 H new ATOM 0 HB2 ARG A 47 17.659 -11.064 2.781 1.00 21.43 H new ATOM 0 HB3 ARG A 47 19.344 -11.521 2.633 1.00 21.43 H new ATOM 0 HG2 ARG A 47 19.570 -9.329 2.044 1.00 53.30 H new ATOM 0 HG3 ARG A 47 19.184 -9.954 0.453 1.00 53.30 H new ATOM 0 HD2 ARG A 47 17.314 -8.706 0.374 1.00 33.33 H new ATOM 0 HD3 ARG A 47 16.706 -9.470 1.829 1.00 33.33 H new ATOM 0 HE ARG A 47 17.246 -7.558 3.025 1.00 43.13 H new ATOM 0 HH11 ARG A 47 19.127 -7.675 0.040 1.00 43.34 H new ATOM 0 HH12 ARG A 47 19.831 -6.073 0.284 1.00 43.34 H new ATOM 0 HH21 ARG A 47 18.154 -5.501 3.332 1.00 51.02 H new ATOM 0 HH22 ARG A 47 19.283 -4.847 2.140 1.00 51.02 H new ATOM 695 N PHE A 48 18.459 -14.594 1.488 1.00 63.33 N ATOM 696 CA PHE A 48 18.188 -15.891 2.098 1.00 44.32 C ATOM 697 C PHE A 48 19.142 -16.155 3.260 1.00 55.22 C ATOM 698 O PHE A 48 20.350 -15.949 3.145 1.00 51.41 O ATOM 699 CB PHE A 48 18.315 -17.005 1.057 1.00 53.35 C ATOM 700 CG PHE A 48 16.996 -17.446 0.488 1.00 44.34 C ATOM 701 CD1 PHE A 48 16.464 -16.820 -0.628 1.00 11.42 C ATOM 702 CD2 PHE A 48 16.289 -18.486 1.069 1.00 65.13 C ATOM 703 CE1 PHE A 48 15.251 -17.223 -1.154 1.00 62.31 C ATOM 704 CE2 PHE A 48 15.077 -18.894 0.547 1.00 73.44 C ATOM 705 CZ PHE A 48 14.556 -18.261 -0.565 1.00 63.43 C ATOM 0 H PHE A 48 19.264 -14.582 0.862 1.00 63.33 H new ATOM 0 HA PHE A 48 17.168 -15.877 2.483 1.00 44.32 H new ATOM 0 HB2 PHE A 48 18.956 -16.661 0.245 1.00 53.35 H new ATOM 0 HB3 PHE A 48 18.810 -17.863 1.512 1.00 53.35 H new ATOM 0 HD1 PHE A 48 17.004 -16.008 -1.092 1.00 11.42 H new ATOM 0 HD2 PHE A 48 16.690 -18.983 1.940 1.00 65.13 H new ATOM 0 HE1 PHE A 48 14.847 -16.727 -2.024 1.00 62.31 H new ATOM 0 HE2 PHE A 48 14.537 -19.708 1.008 1.00 73.44 H new ATOM 0 HZ PHE A 48 13.607 -18.577 -0.973 1.00 63.43 H new ATOM 715 N TYR A 49 18.589 -16.612 4.378 1.00 50.40 N ATOM 716 CA TYR A 49 19.388 -16.901 5.563 1.00 63.35 C ATOM 717 C TYR A 49 18.910 -18.181 6.243 1.00 44.43 C ATOM 718 O TYR A 49 17.730 -18.324 6.559 1.00 1.24 O ATOM 719 CB TYR A 49 19.322 -15.732 6.547 1.00 63.15 C ATOM 720 CG TYR A 49 18.400 -14.619 6.103 1.00 1.21 C ATOM 721 CD1 TYR A 49 17.028 -14.705 6.306 1.00 41.32 C ATOM 722 CD2 TYR A 49 18.900 -13.482 5.481 1.00 43.12 C ATOM 723 CE1 TYR A 49 16.182 -13.690 5.902 1.00 75.51 C ATOM 724 CE2 TYR A 49 18.061 -12.462 5.075 1.00 65.21 C ATOM 725 CZ TYR A 49 16.703 -12.571 5.287 1.00 20.24 C ATOM 726 OH TYR A 49 15.864 -11.558 4.883 1.00 31.22 O ATOM 0 H TYR A 49 17.591 -16.790 4.489 1.00 50.40 H new ATOM 0 HA TYR A 49 20.422 -17.043 5.247 1.00 63.35 H new ATOM 0 HB2 TYR A 49 18.990 -16.103 7.517 1.00 63.15 H new ATOM 0 HB3 TYR A 49 20.325 -15.328 6.686 1.00 63.15 H new ATOM 0 HD1 TYR A 49 16.616 -15.580 6.787 1.00 41.32 H new ATOM 0 HD2 TYR A 49 19.963 -13.394 5.312 1.00 43.12 H new ATOM 0 HE1 TYR A 49 15.118 -13.773 6.067 1.00 75.51 H new ATOM 0 HE2 TYR A 49 18.467 -11.584 4.594 1.00 65.21 H new ATOM 0 HH TYR A 49 16.390 -10.754 4.692 1.00 31.22 H new ATOM 736 N GLU A 50 19.838 -19.107 6.464 1.00 33.22 N ATOM 737 CA GLU A 50 19.512 -20.375 7.107 1.00 54.14 C ATOM 738 C GLU A 50 20.016 -20.401 8.547 1.00 51.34 C ATOM 739 O GLU A 50 21.137 -20.834 8.816 1.00 54.23 O ATOM 740 CB GLU A 50 20.117 -21.540 6.322 1.00 61.53 C ATOM 741 CG GLU A 50 20.029 -21.370 4.814 1.00 31.24 C ATOM 742 CD GLU A 50 20.577 -22.566 4.059 1.00 12.42 C ATOM 743 OE1 GLU A 50 21.734 -22.954 4.324 1.00 72.30 O ATOM 744 OE2 GLU A 50 19.849 -23.112 3.204 1.00 64.00 O ATOM 0 H GLU A 50 20.820 -19.003 6.208 1.00 33.22 H new ATOM 0 HA GLU A 50 18.427 -20.479 7.119 1.00 54.14 H new ATOM 0 HB2 GLU A 50 21.163 -21.654 6.606 1.00 61.53 H new ATOM 0 HB3 GLU A 50 19.608 -22.461 6.606 1.00 61.53 H new ATOM 0 HG2 GLU A 50 18.989 -21.211 4.530 1.00 31.24 H new ATOM 0 HG3 GLU A 50 20.579 -20.476 4.520 1.00 31.24 H new ATOM 751 N TYR A 51 19.181 -19.934 9.468 1.00 52.51 N ATOM 752 CA TYR A 51 19.542 -19.900 10.880 1.00 0.31 C ATOM 753 C TYR A 51 18.500 -19.135 11.691 1.00 44.53 C ATOM 754 O TYR A 51 17.414 -18.830 11.196 1.00 4.15 O ATOM 755 CB TYR A 51 20.918 -19.257 11.061 1.00 41.11 C ATOM 756 CG TYR A 51 21.958 -20.200 11.624 1.00 15.52 C ATOM 757 CD1 TYR A 51 21.797 -20.772 12.880 1.00 61.33 C ATOM 758 CD2 TYR A 51 23.100 -20.518 10.900 1.00 71.11 C ATOM 759 CE1 TYR A 51 22.745 -21.633 13.398 1.00 34.34 C ATOM 760 CE2 TYR A 51 24.052 -21.379 11.410 1.00 30.41 C ATOM 761 CZ TYR A 51 23.870 -21.934 12.660 1.00 41.02 C ATOM 762 OH TYR A 51 24.816 -22.792 13.172 1.00 34.44 O ATOM 0 H TYR A 51 18.249 -19.574 9.262 1.00 52.51 H new ATOM 0 HA TYR A 51 19.577 -20.927 11.244 1.00 0.31 H new ATOM 0 HB2 TYR A 51 21.264 -18.881 10.098 1.00 41.11 H new ATOM 0 HB3 TYR A 51 20.823 -18.397 11.723 1.00 41.11 H new ATOM 0 HD1 TYR A 51 20.916 -20.540 13.461 1.00 61.33 H new ATOM 0 HD2 TYR A 51 23.246 -20.085 9.922 1.00 71.11 H new ATOM 0 HE1 TYR A 51 22.606 -22.068 14.376 1.00 34.34 H new ATOM 0 HE2 TYR A 51 24.934 -21.616 10.834 1.00 30.41 H new ATOM 0 HH TYR A 51 25.545 -22.899 12.526 1.00 34.44 H new ATOM 772 N ILE A 52 18.840 -18.827 12.938 1.00 41.22 N ATOM 773 CA ILE A 52 17.936 -18.096 13.817 1.00 1.21 C ATOM 774 C ILE A 52 17.491 -16.784 13.180 1.00 5.52 C ATOM 775 O ILE A 52 18.152 -16.262 12.283 1.00 23.21 O ATOM 776 CB ILE A 52 18.593 -17.796 15.177 1.00 24.53 C ATOM 777 CG1 ILE A 52 19.267 -19.054 15.731 1.00 52.03 C ATOM 778 CG2 ILE A 52 17.560 -17.267 16.160 1.00 53.41 C ATOM 779 CD1 ILE A 52 18.359 -20.264 15.756 1.00 3.01 C ATOM 0 H ILE A 52 19.735 -19.072 13.362 1.00 41.22 H new ATOM 0 HA ILE A 52 17.066 -18.734 13.976 1.00 1.21 H new ATOM 0 HB ILE A 52 19.355 -17.030 15.034 1.00 24.53 H new ATOM 0 HG12 ILE A 52 20.146 -19.281 15.128 1.00 52.03 H new ATOM 0 HG13 ILE A 52 19.619 -18.853 16.743 1.00 52.03 H new ATOM 0 HG21 ILE A 52 18.040 -17.060 17.116 1.00 53.41 H new ATOM 0 HG22 ILE A 52 17.121 -16.349 15.768 1.00 53.41 H new ATOM 0 HG23 ILE A 52 16.777 -18.012 16.301 1.00 53.41 H new ATOM 0 HD11 ILE A 52 18.902 -21.118 16.160 1.00 3.01 H new ATOM 0 HD12 ILE A 52 17.492 -20.056 16.383 1.00 3.01 H new ATOM 0 HD13 ILE A 52 18.028 -20.491 14.743 1.00 3.01 H new ATOM 791 N ASN A 53 16.367 -16.254 13.652 1.00 25.02 N ATOM 792 CA ASN A 53 15.835 -15.001 13.130 1.00 74.03 C ATOM 793 C ASN A 53 16.622 -13.809 13.666 1.00 34.34 C ATOM 794 O ASN A 53 16.060 -12.916 14.301 1.00 71.10 O ATOM 795 CB ASN A 53 14.357 -14.858 13.498 1.00 35.24 C ATOM 796 CG ASN A 53 14.131 -14.866 14.998 1.00 23.20 C ATOM 797 OD1 ASN A 53 15.063 -15.075 15.776 1.00 54.13 O ATOM 798 ND2 ASN A 53 12.890 -14.638 15.411 1.00 71.41 N ATOM 0 H ASN A 53 15.807 -16.673 14.395 1.00 25.02 H new ATOM 0 HA ASN A 53 15.933 -15.019 12.045 1.00 74.03 H new ATOM 0 HB2 ASN A 53 13.970 -13.929 13.080 1.00 35.24 H new ATOM 0 HB3 ASN A 53 13.792 -15.672 13.044 1.00 35.24 H new ATOM 0 HD21 ASN A 53 12.678 -14.631 16.409 1.00 71.41 H new ATOM 0 HD22 ASN A 53 12.149 -14.470 14.731 1.00 71.41 H new ATOM 805 N TYR A 54 17.924 -13.803 13.407 1.00 43.40 N ATOM 806 CA TYR A 54 18.789 -12.722 13.865 1.00 3.02 C ATOM 807 C TYR A 54 20.151 -12.787 13.181 1.00 42.24 C ATOM 808 O TYR A 54 20.793 -11.763 12.952 1.00 41.54 O ATOM 809 CB TYR A 54 18.965 -12.790 15.383 1.00 24.31 C ATOM 810 CG TYR A 54 20.241 -13.479 15.814 1.00 14.34 C ATOM 811 CD1 TYR A 54 21.437 -12.778 15.902 1.00 51.55 C ATOM 812 CD2 TYR A 54 20.249 -14.831 16.136 1.00 52.52 C ATOM 813 CE1 TYR A 54 22.604 -13.403 16.294 1.00 3.24 C ATOM 814 CE2 TYR A 54 21.411 -15.464 16.531 1.00 3.30 C ATOM 815 CZ TYR A 54 22.586 -14.746 16.608 1.00 5.23 C ATOM 816 OH TYR A 54 23.747 -15.372 17.001 1.00 1.14 O ATOM 0 H TYR A 54 18.404 -14.534 12.882 1.00 43.40 H new ATOM 0 HA TYR A 54 18.315 -11.776 13.602 1.00 3.02 H new ATOM 0 HB2 TYR A 54 18.954 -11.778 15.787 1.00 24.31 H new ATOM 0 HB3 TYR A 54 18.114 -13.316 15.816 1.00 24.31 H new ATOM 0 HD1 TYR A 54 21.454 -11.726 15.660 1.00 51.55 H new ATOM 0 HD2 TYR A 54 19.331 -15.396 16.076 1.00 52.52 H new ATOM 0 HE1 TYR A 54 23.526 -12.843 16.354 1.00 3.24 H new ATOM 0 HE2 TYR A 54 21.400 -16.515 16.778 1.00 3.30 H new ATOM 0 HH TYR A 54 23.563 -16.316 17.187 1.00 1.14 H new ATOM 826 N GLY A 55 20.586 -14.001 12.855 1.00 12.43 N ATOM 827 CA GLY A 55 21.868 -14.178 12.200 1.00 61.44 C ATOM 828 C GLY A 55 21.838 -15.276 11.155 1.00 72.31 C ATOM 829 O GLY A 55 20.792 -15.561 10.573 1.00 13.15 O ATOM 0 H GLY A 55 20.073 -14.864 13.033 1.00 12.43 H new ATOM 0 HA2 GLY A 55 22.165 -13.241 11.729 1.00 61.44 H new ATOM 0 HA3 GLY A 55 22.625 -14.413 12.948 1.00 61.44 H new ATOM 833 N GLY A 56 22.990 -15.894 10.914 1.00 23.32 N ATOM 834 CA GLY A 56 23.070 -16.959 9.931 1.00 0.30 C ATOM 835 C GLY A 56 23.827 -16.542 8.685 1.00 32.05 C ATOM 836 O GLY A 56 24.383 -15.445 8.627 1.00 70.32 O ATOM 0 H GLY A 56 23.870 -15.676 11.382 1.00 23.32 H new ATOM 0 HA2 GLY A 56 23.559 -17.825 10.377 1.00 0.30 H new ATOM 0 HA3 GLY A 56 22.063 -17.270 9.654 1.00 0.30 H new ATOM 840 N ARG A 57 23.850 -17.419 7.688 1.00 74.44 N ATOM 841 CA ARG A 57 24.546 -17.138 6.438 1.00 5.24 C ATOM 842 C ARG A 57 23.771 -16.127 5.599 1.00 53.10 C ATOM 843 O ARG A 57 22.583 -16.310 5.329 1.00 44.11 O ATOM 844 CB ARG A 57 24.751 -18.428 5.642 1.00 44.31 C ATOM 845 CG ARG A 57 23.455 -19.059 5.161 1.00 21.24 C ATOM 846 CD ARG A 57 23.200 -18.759 3.693 1.00 41.04 C ATOM 847 NE ARG A 57 24.284 -19.239 2.840 1.00 42.54 N ATOM 848 CZ ARG A 57 24.402 -20.500 2.440 1.00 11.11 C ATOM 849 NH1 ARG A 57 23.507 -21.403 2.814 1.00 74.50 N ATOM 850 NH2 ARG A 57 25.417 -20.859 1.664 1.00 34.53 N ATOM 0 H ARG A 57 23.394 -18.331 7.721 1.00 74.44 H new ATOM 0 HA ARG A 57 25.519 -16.711 6.682 1.00 5.24 H new ATOM 0 HB2 ARG A 57 25.384 -18.216 4.780 1.00 44.31 H new ATOM 0 HB3 ARG A 57 25.287 -19.147 6.262 1.00 44.31 H new ATOM 0 HG2 ARG A 57 23.497 -20.138 5.311 1.00 21.24 H new ATOM 0 HG3 ARG A 57 22.624 -18.686 5.759 1.00 21.24 H new ATOM 0 HD2 ARG A 57 22.263 -19.224 3.385 1.00 41.04 H new ATOM 0 HD3 ARG A 57 23.081 -17.684 3.558 1.00 41.04 H new ATOM 0 HE ARG A 57 24.990 -18.569 2.535 1.00 42.54 H new ATOM 0 HH11 ARG A 57 22.726 -21.130 3.410 1.00 74.50 H new ATOM 0 HH12 ARG A 57 23.600 -22.371 2.506 1.00 74.50 H new ATOM 0 HH21 ARG A 57 26.107 -20.166 1.374 1.00 34.53 H new ATOM 0 HH22 ARG A 57 25.507 -21.828 1.357 1.00 34.53 H new ATOM 864 N TYR A 58 24.449 -15.061 5.190 1.00 2.42 N ATOM 865 CA TYR A 58 23.823 -14.019 4.384 1.00 23.13 C ATOM 866 C TYR A 58 24.104 -14.236 2.900 1.00 1.15 C ATOM 867 O TYR A 58 25.226 -14.036 2.434 1.00 33.41 O ATOM 868 CB TYR A 58 24.327 -12.640 4.814 1.00 24.41 C ATOM 869 CG TYR A 58 23.899 -11.524 3.889 1.00 11.42 C ATOM 870 CD1 TYR A 58 22.608 -11.476 3.377 1.00 44.32 C ATOM 871 CD2 TYR A 58 24.785 -10.516 3.529 1.00 53.45 C ATOM 872 CE1 TYR A 58 22.213 -10.458 2.531 1.00 40.31 C ATOM 873 CE2 TYR A 58 24.398 -9.493 2.684 1.00 14.13 C ATOM 874 CZ TYR A 58 23.111 -9.469 2.188 1.00 40.42 C ATOM 875 OH TYR A 58 22.721 -8.452 1.347 1.00 54.04 O ATOM 0 H TYR A 58 25.433 -14.895 5.403 1.00 2.42 H new ATOM 0 HA TYR A 58 22.746 -14.070 4.543 1.00 23.13 H new ATOM 0 HB2 TYR A 58 23.964 -12.427 5.819 1.00 24.41 H new ATOM 0 HB3 TYR A 58 25.416 -12.660 4.866 1.00 24.41 H new ATOM 0 HD1 TYR A 58 21.902 -12.248 3.645 1.00 44.32 H new ATOM 0 HD2 TYR A 58 25.793 -10.532 3.916 1.00 53.45 H new ATOM 0 HE1 TYR A 58 21.206 -10.437 2.140 1.00 40.31 H new ATOM 0 HE2 TYR A 58 25.099 -8.717 2.414 1.00 14.13 H new ATOM 0 HH TYR A 58 22.792 -8.751 0.417 1.00 54.04 H new ATOM 885 N TRP A 59 23.077 -14.645 2.165 1.00 51.23 N ATOM 886 CA TRP A 59 23.212 -14.888 0.733 1.00 74.40 C ATOM 887 C TRP A 59 22.005 -14.348 -0.027 1.00 44.10 C ATOM 888 O TRP A 59 20.917 -14.921 0.029 1.00 63.15 O ATOM 889 CB TRP A 59 23.372 -16.385 0.462 1.00 35.34 C ATOM 890 CG TRP A 59 22.889 -16.798 -0.895 1.00 62.43 C ATOM 891 CD1 TRP A 59 23.431 -16.448 -2.099 1.00 60.20 C ATOM 892 CD2 TRP A 59 21.767 -17.638 -1.187 1.00 54.32 C ATOM 893 NE1 TRP A 59 22.713 -17.019 -3.122 1.00 33.32 N ATOM 894 CE2 TRP A 59 21.687 -17.755 -2.589 1.00 2.53 C ATOM 895 CE3 TRP A 59 20.822 -18.303 -0.401 1.00 63.53 C ATOM 896 CZ2 TRP A 59 20.700 -18.509 -3.218 1.00 3.23 C ATOM 897 CZ3 TRP A 59 19.843 -19.051 -1.027 1.00 62.41 C ATOM 898 CH2 TRP A 59 19.789 -19.150 -2.424 1.00 14.12 C ATOM 0 H TRP A 59 22.142 -14.815 2.536 1.00 51.23 H new ATOM 0 HA TRP A 59 24.102 -14.365 0.383 1.00 74.40 H new ATOM 0 HB2 TRP A 59 24.423 -16.655 0.563 1.00 35.34 H new ATOM 0 HB3 TRP A 59 22.825 -16.945 1.220 1.00 35.34 H new ATOM 0 HD1 TRP A 59 24.297 -15.815 -2.228 1.00 60.20 H new ATOM 0 HE1 TRP A 59 22.911 -16.912 -4.117 1.00 33.32 H new ATOM 0 HE3 TRP A 59 20.856 -18.234 0.676 1.00 63.53 H new ATOM 0 HZ2 TRP A 59 20.655 -18.585 -4.294 1.00 3.23 H new ATOM 0 HZ3 TRP A 59 19.107 -19.568 -0.429 1.00 62.41 H new ATOM 0 HH2 TRP A 59 19.013 -19.744 -2.883 1.00 14.12 H new ATOM 909 N ASP A 60 22.205 -13.242 -0.736 1.00 63.51 N ATOM 910 CA ASP A 60 21.133 -12.625 -1.509 1.00 24.52 C ATOM 911 C ASP A 60 21.178 -13.084 -2.963 1.00 21.41 C ATOM 912 O ASP A 60 22.220 -13.518 -3.457 1.00 1.53 O ATOM 913 CB ASP A 60 21.238 -11.101 -1.439 1.00 35.14 C ATOM 914 CG ASP A 60 22.656 -10.608 -1.647 1.00 53.53 C ATOM 915 OD1 ASP A 60 23.371 -11.196 -2.485 1.00 0.24 O ATOM 916 OD2 ASP A 60 23.051 -9.633 -0.973 1.00 35.44 O ATOM 0 H ASP A 60 23.099 -12.755 -0.791 1.00 63.51 H new ATOM 0 HA ASP A 60 20.182 -12.936 -1.078 1.00 24.52 H new ATOM 0 HB2 ASP A 60 20.589 -10.660 -2.195 1.00 35.14 H new ATOM 0 HB3 ASP A 60 20.876 -10.759 -0.469 1.00 35.14 H new ATOM 921 N LEU A 61 20.041 -12.988 -3.643 1.00 43.35 N ATOM 922 CA LEU A 61 19.950 -13.394 -5.042 1.00 12.13 C ATOM 923 C LEU A 61 19.172 -12.366 -5.858 1.00 4.05 C ATOM 924 O LEU A 61 18.159 -11.836 -5.404 1.00 4.43 O ATOM 925 CB LEU A 61 19.278 -14.764 -5.152 1.00 52.44 C ATOM 926 CG LEU A 61 17.781 -14.804 -4.842 1.00 50.14 C ATOM 927 CD1 LEU A 61 17.158 -16.081 -5.385 1.00 13.33 C ATOM 928 CD2 LEU A 61 17.543 -14.687 -3.344 1.00 3.11 C ATOM 0 H LEU A 61 19.170 -12.633 -3.249 1.00 43.35 H new ATOM 0 HA LEU A 61 20.961 -13.458 -5.443 1.00 12.13 H new ATOM 0 HB2 LEU A 61 19.429 -15.141 -6.164 1.00 52.44 H new ATOM 0 HB3 LEU A 61 19.787 -15.451 -4.476 1.00 52.44 H new ATOM 0 HG LEU A 61 17.305 -13.955 -5.332 1.00 50.14 H new ATOM 0 HD11 LEU A 61 16.093 -16.092 -5.155 1.00 13.33 H new ATOM 0 HD12 LEU A 61 17.297 -16.123 -6.465 1.00 13.33 H new ATOM 0 HD13 LEU A 61 17.638 -16.944 -4.924 1.00 13.33 H new ATOM 0 HD21 LEU A 61 16.472 -14.717 -3.142 1.00 3.11 H new ATOM 0 HD22 LEU A 61 18.032 -15.516 -2.832 1.00 3.11 H new ATOM 0 HD23 LEU A 61 17.954 -13.744 -2.983 1.00 3.11 H new ATOM 940 N GLY A 62 19.653 -12.091 -7.066 1.00 44.13 N ATOM 941 CA GLY A 62 18.990 -11.129 -7.927 1.00 62.13 C ATOM 942 C GLY A 62 18.153 -11.794 -9.002 1.00 14.33 C ATOM 943 O GLY A 62 17.861 -12.988 -8.941 1.00 61.44 O ATOM 0 H GLY A 62 20.490 -12.517 -7.464 1.00 44.13 H new ATOM 0 HA2 GLY A 62 18.353 -10.483 -7.322 1.00 62.13 H new ATOM 0 HA3 GLY A 62 19.738 -10.490 -8.396 1.00 62.13 H new ATOM 947 N PRO A 63 17.750 -11.010 -10.013 1.00 14.22 N ATOM 948 CA PRO A 63 16.934 -11.508 -11.124 1.00 34.00 C ATOM 949 C PRO A 63 17.590 -12.681 -11.845 1.00 15.15 C ATOM 950 O PRO A 63 18.654 -12.537 -12.445 1.00 14.32 O ATOM 951 CB PRO A 63 16.828 -10.299 -12.057 1.00 2.24 C ATOM 952 CG PRO A 63 17.073 -9.121 -11.178 1.00 43.45 C ATOM 953 CD PRO A 63 18.060 -9.577 -10.149 1.00 50.22 C ATOM 0 HA PRO A 63 15.970 -11.887 -10.783 1.00 34.00 H new ATOM 0 HB2 PRO A 63 17.562 -10.353 -12.861 1.00 2.24 H new ATOM 0 HB3 PRO A 63 15.846 -10.246 -12.526 1.00 2.24 H new ATOM 0 HG2 PRO A 63 17.466 -8.281 -11.751 1.00 43.45 H new ATOM 0 HG3 PRO A 63 16.148 -8.783 -10.710 1.00 43.45 H new ATOM 0 HD2 PRO A 63 19.088 -9.414 -10.474 1.00 50.22 H new ATOM 0 HD3 PRO A 63 17.936 -9.045 -9.206 1.00 50.22 H new ATOM 961 N GLY A 64 16.947 -13.843 -11.781 1.00 73.21 N ATOM 962 CA GLY A 64 17.483 -15.024 -12.432 1.00 71.02 C ATOM 963 C GLY A 64 16.988 -16.310 -11.800 1.00 52.24 C ATOM 964 O GLY A 64 16.679 -16.344 -10.610 1.00 32.41 O ATOM 0 H GLY A 64 16.065 -13.987 -11.290 1.00 73.21 H new ATOM 0 HA2 GLY A 64 17.206 -15.011 -13.486 1.00 71.02 H new ATOM 0 HA3 GLY A 64 18.572 -14.997 -12.388 1.00 71.02 H new ATOM 968 N GLU A 65 16.911 -17.369 -12.600 1.00 73.01 N ATOM 969 CA GLU A 65 16.447 -18.662 -12.111 1.00 74.14 C ATOM 970 C GLU A 65 17.561 -19.395 -11.369 1.00 53.04 C ATOM 971 O GLU A 65 18.744 -19.155 -11.610 1.00 61.24 O ATOM 972 CB GLU A 65 15.942 -19.520 -13.273 1.00 64.44 C ATOM 973 CG GLU A 65 14.689 -20.314 -12.945 1.00 11.21 C ATOM 974 CD GLU A 65 14.465 -21.472 -13.898 1.00 21.03 C ATOM 975 OE1 GLU A 65 14.274 -21.219 -15.105 1.00 70.14 O ATOM 976 OE2 GLU A 65 14.482 -22.632 -13.435 1.00 15.13 O ATOM 0 H GLU A 65 17.164 -17.357 -13.588 1.00 73.01 H new ATOM 0 HA GLU A 65 15.626 -18.486 -11.416 1.00 74.14 H new ATOM 0 HB2 GLU A 65 15.740 -18.875 -14.128 1.00 64.44 H new ATOM 0 HB3 GLU A 65 16.731 -20.210 -13.573 1.00 64.44 H new ATOM 0 HG2 GLU A 65 14.762 -20.696 -11.927 1.00 11.21 H new ATOM 0 HG3 GLU A 65 13.825 -19.651 -12.976 1.00 11.21 H new ATOM 983 N TYR A 66 17.173 -20.288 -10.466 1.00 23.30 N ATOM 984 CA TYR A 66 18.138 -21.054 -9.686 1.00 61.40 C ATOM 985 C TYR A 66 17.494 -22.308 -9.102 1.00 12.12 C ATOM 986 O TYR A 66 16.299 -22.326 -8.808 1.00 14.20 O ATOM 987 CB TYR A 66 18.716 -20.193 -8.562 1.00 14.12 C ATOM 988 CG TYR A 66 19.584 -20.964 -7.593 1.00 51.23 C ATOM 989 CD1 TYR A 66 20.750 -21.588 -8.020 1.00 51.54 C ATOM 990 CD2 TYR A 66 19.238 -21.069 -6.252 1.00 22.42 C ATOM 991 CE1 TYR A 66 21.546 -22.294 -7.139 1.00 42.54 C ATOM 992 CE2 TYR A 66 20.029 -21.772 -5.364 1.00 21.04 C ATOM 993 CZ TYR A 66 21.182 -22.382 -5.812 1.00 72.51 C ATOM 994 OH TYR A 66 21.972 -23.085 -4.931 1.00 14.53 O ATOM 0 H TYR A 66 16.198 -20.499 -10.256 1.00 23.30 H new ATOM 0 HA TYR A 66 18.945 -21.359 -10.352 1.00 61.40 H new ATOM 0 HB2 TYR A 66 19.303 -19.386 -9.000 1.00 14.12 H new ATOM 0 HB3 TYR A 66 17.896 -19.729 -8.013 1.00 14.12 H new ATOM 0 HD1 TYR A 66 21.039 -21.520 -9.058 1.00 51.54 H new ATOM 0 HD2 TYR A 66 18.336 -20.593 -5.898 1.00 22.42 H new ATOM 0 HE1 TYR A 66 22.448 -22.774 -7.488 1.00 42.54 H new ATOM 0 HE2 TYR A 66 19.746 -21.844 -4.324 1.00 21.04 H new ATOM 0 HH TYR A 66 21.576 -23.049 -4.036 1.00 14.53 H new ATOM 1004 N SER A 67 18.296 -23.355 -8.936 1.00 13.24 N ATOM 1005 CA SER A 67 17.805 -24.615 -8.389 1.00 52.44 C ATOM 1006 C SER A 67 18.326 -24.832 -6.972 1.00 52.00 C ATOM 1007 O SER A 67 19.333 -25.510 -6.766 1.00 54.30 O ATOM 1008 CB SER A 67 18.226 -25.782 -9.284 1.00 42.44 C ATOM 1009 OG SER A 67 19.606 -25.710 -9.599 1.00 70.34 O ATOM 0 H SER A 67 19.288 -23.356 -9.172 1.00 13.24 H new ATOM 0 HA SER A 67 16.717 -24.568 -8.354 1.00 52.44 H new ATOM 0 HB2 SER A 67 18.013 -26.725 -8.781 1.00 42.44 H new ATOM 0 HB3 SER A 67 17.639 -25.771 -10.202 1.00 42.44 H new ATOM 0 HG SER A 67 20.126 -25.624 -8.773 1.00 70.34 H new ATOM 1015 N SER A 68 17.632 -24.251 -5.998 1.00 24.51 N ATOM 1016 CA SER A 68 18.026 -24.378 -4.599 1.00 41.45 C ATOM 1017 C SER A 68 17.457 -25.654 -3.988 1.00 30.21 C ATOM 1018 O SER A 68 16.241 -25.823 -3.895 1.00 21.34 O ATOM 1019 CB SER A 68 17.551 -23.161 -3.802 1.00 64.14 C ATOM 1020 OG SER A 68 17.076 -22.141 -4.663 1.00 73.14 O ATOM 0 H SER A 68 16.795 -23.688 -6.151 1.00 24.51 H new ATOM 0 HA SER A 68 19.114 -24.430 -4.556 1.00 41.45 H new ATOM 0 HB2 SER A 68 16.759 -23.459 -3.115 1.00 64.14 H new ATOM 0 HB3 SER A 68 18.371 -22.777 -3.196 1.00 64.14 H new ATOM 0 HG SER A 68 17.696 -22.032 -5.414 1.00 73.14 H new ATOM 1026 N VAL A 69 18.346 -26.551 -3.572 1.00 72.02 N ATOM 1027 CA VAL A 69 17.934 -27.813 -2.968 1.00 51.53 C ATOM 1028 C VAL A 69 18.922 -28.257 -1.896 1.00 11.23 C ATOM 1029 O VAL A 69 18.853 -29.382 -1.403 1.00 63.43 O ATOM 1030 CB VAL A 69 17.806 -28.925 -4.025 1.00 73.44 C ATOM 1031 CG1 VAL A 69 16.912 -28.474 -5.170 1.00 72.24 C ATOM 1032 CG2 VAL A 69 19.179 -29.333 -4.539 1.00 14.24 C ATOM 0 H VAL A 69 19.356 -26.427 -3.642 1.00 72.02 H new ATOM 0 HA VAL A 69 16.959 -27.642 -2.511 1.00 51.53 H new ATOM 0 HB VAL A 69 17.345 -29.795 -3.557 1.00 73.44 H new ATOM 0 HG11 VAL A 69 16.834 -29.273 -5.907 1.00 72.24 H new ATOM 0 HG12 VAL A 69 15.920 -28.237 -4.785 1.00 72.24 H new ATOM 0 HG13 VAL A 69 17.341 -27.588 -5.639 1.00 72.24 H new ATOM 0 HG21 VAL A 69 19.069 -30.120 -5.285 1.00 14.24 H new ATOM 0 HG22 VAL A 69 19.669 -28.471 -4.991 1.00 14.24 H new ATOM 0 HG23 VAL A 69 19.783 -29.701 -3.710 1.00 14.24 H new ATOM 1042 N GLU A 70 19.840 -27.364 -1.538 1.00 70.32 N ATOM 1043 CA GLU A 70 20.843 -27.665 -0.523 1.00 73.53 C ATOM 1044 C GLU A 70 21.393 -26.384 0.095 1.00 42.51 C ATOM 1045 O GLU A 70 22.453 -26.389 0.721 1.00 31.02 O ATOM 1046 CB GLU A 70 21.985 -28.483 -1.130 1.00 32.41 C ATOM 1047 CG GLU A 70 22.878 -27.683 -2.063 1.00 2.15 C ATOM 1048 CD GLU A 70 23.903 -28.546 -2.772 1.00 24.21 C ATOM 1049 OE1 GLU A 70 23.840 -29.785 -2.625 1.00 44.44 O ATOM 1050 OE2 GLU A 70 24.769 -27.982 -3.474 1.00 72.41 O ATOM 0 H GLU A 70 19.910 -26.427 -1.935 1.00 70.32 H new ATOM 0 HA GLU A 70 20.364 -28.250 0.262 1.00 73.53 H new ATOM 0 HB2 GLU A 70 22.593 -28.896 -0.325 1.00 32.41 H new ATOM 0 HB3 GLU A 70 21.565 -29.327 -1.678 1.00 32.41 H new ATOM 0 HG2 GLU A 70 22.261 -27.176 -2.804 1.00 2.15 H new ATOM 0 HG3 GLU A 70 23.392 -26.909 -1.493 1.00 2.15 H new ATOM 1057 N SER A 71 20.665 -25.286 -0.086 1.00 65.15 N ATOM 1058 CA SER A 71 21.082 -23.995 0.449 1.00 22.42 C ATOM 1059 C SER A 71 19.931 -22.995 0.414 1.00 75.30 C ATOM 1060 O SER A 71 20.145 -21.784 0.436 1.00 43.24 O ATOM 1061 CB SER A 71 22.271 -23.450 -0.344 1.00 51.25 C ATOM 1062 OG SER A 71 23.443 -23.414 0.452 1.00 75.22 O ATOM 0 H SER A 71 19.784 -25.265 -0.599 1.00 65.15 H new ATOM 0 HA SER A 71 21.383 -24.140 1.487 1.00 22.42 H new ATOM 0 HB2 SER A 71 22.443 -24.073 -1.222 1.00 51.25 H new ATOM 0 HB3 SER A 71 22.042 -22.447 -0.705 1.00 51.25 H new ATOM 0 HG SER A 71 23.590 -24.294 0.857 1.00 75.22 H new ATOM 1068 N ALA A 72 18.708 -23.512 0.359 1.00 35.54 N ATOM 1069 CA ALA A 72 17.521 -22.666 0.323 1.00 22.32 C ATOM 1070 C ALA A 72 17.025 -22.356 1.731 1.00 2.33 C ATOM 1071 O ALA A 72 16.519 -21.266 1.995 1.00 2.14 O ATOM 1072 CB ALA A 72 16.422 -23.333 -0.491 1.00 20.14 C ATOM 0 H ALA A 72 18.513 -24.513 0.338 1.00 35.54 H new ATOM 0 HA ALA A 72 17.791 -21.724 -0.154 1.00 22.32 H new ATOM 0 HB1 ALA A 72 15.542 -22.690 -0.509 1.00 20.14 H new ATOM 0 HB2 ALA A 72 16.773 -23.497 -1.510 1.00 20.14 H new ATOM 0 HB3 ALA A 72 16.163 -24.290 -0.038 1.00 20.14 H new ATOM 1078 N GLY A 73 17.173 -23.322 2.633 1.00 44.13 N ATOM 1079 CA GLY A 73 16.735 -23.132 4.003 1.00 54.21 C ATOM 1080 C GLY A 73 16.674 -24.433 4.778 1.00 14.00 C ATOM 1081 O GLY A 73 15.736 -24.664 5.542 1.00 22.33 O ATOM 0 H GLY A 73 17.589 -24.233 2.439 1.00 44.13 H new ATOM 0 HA2 GLY A 73 17.415 -22.444 4.506 1.00 54.21 H new ATOM 0 HA3 GLY A 73 15.750 -22.665 4.005 1.00 54.21 H new ATOM 1085 N ILE A 74 17.674 -25.285 4.580 1.00 32.02 N ATOM 1086 CA ILE A 74 17.729 -26.570 5.266 1.00 1.24 C ATOM 1087 C ILE A 74 19.017 -26.708 6.071 1.00 31.13 C ATOM 1088 O ILE A 74 19.849 -27.577 5.813 1.00 65.41 O ATOM 1089 CB ILE A 74 17.629 -27.743 4.274 1.00 60.03 C ATOM 1090 CG1 ILE A 74 18.586 -27.529 3.099 1.00 54.41 C ATOM 1091 CG2 ILE A 74 16.199 -27.897 3.778 1.00 11.10 C ATOM 1092 CD1 ILE A 74 17.967 -26.767 1.947 1.00 22.24 C ATOM 0 H ILE A 74 18.457 -25.109 3.950 1.00 32.02 H new ATOM 0 HA ILE A 74 16.875 -26.604 5.942 1.00 1.24 H new ATOM 0 HB ILE A 74 17.915 -28.660 4.789 1.00 60.03 H new ATOM 0 HG12 ILE A 74 19.465 -26.989 3.451 1.00 54.41 H new ATOM 0 HG13 ILE A 74 18.930 -28.499 2.740 1.00 54.41 H new ATOM 0 HG21 ILE A 74 16.145 -28.730 3.078 1.00 11.10 H new ATOM 0 HG22 ILE A 74 15.539 -28.090 4.624 1.00 11.10 H new ATOM 0 HG23 ILE A 74 15.887 -26.981 3.277 1.00 11.10 H new ATOM 0 HD11 ILE A 74 18.702 -26.652 1.150 1.00 22.24 H new ATOM 0 HD12 ILE A 74 17.105 -27.316 1.569 1.00 22.24 H new ATOM 0 HD13 ILE A 74 17.648 -25.783 2.291 1.00 22.24 H new ATOM 1104 N PRO A 75 19.186 -25.832 7.073 1.00 54.12 N ATOM 1105 CA PRO A 75 20.369 -25.837 7.938 1.00 33.13 C ATOM 1106 C PRO A 75 20.271 -26.879 9.047 1.00 21.22 C ATOM 1107 O PRO A 75 21.210 -27.640 9.281 1.00 22.14 O ATOM 1108 CB PRO A 75 20.381 -24.426 8.530 1.00 3.44 C ATOM 1109 CG PRO A 75 18.951 -24.009 8.546 1.00 2.31 C ATOM 1110 CD PRO A 75 18.234 -24.769 7.438 1.00 41.14 C ATOM 0 HA PRO A 75 21.275 -26.091 7.388 1.00 33.13 H new ATOM 0 HB2 PRO A 75 20.806 -24.422 9.534 1.00 3.44 H new ATOM 0 HB3 PRO A 75 20.984 -23.748 7.926 1.00 3.44 H new ATOM 0 HG2 PRO A 75 18.500 -24.228 9.514 1.00 2.31 H new ATOM 0 HG3 PRO A 75 18.865 -22.934 8.390 1.00 2.31 H new ATOM 0 HD2 PRO A 75 17.286 -25.181 7.784 1.00 41.14 H new ATOM 0 HD3 PRO A 75 18.010 -24.123 6.589 1.00 41.14 H new ATOM 1118 N ASP A 76 19.130 -26.908 9.726 1.00 32.43 N ATOM 1119 CA ASP A 76 18.909 -27.859 10.810 1.00 1.32 C ATOM 1120 C ASP A 76 17.527 -27.667 11.428 1.00 63.43 C ATOM 1121 O ASP A 76 17.367 -26.926 12.396 1.00 51.42 O ATOM 1122 CB ASP A 76 19.987 -27.700 11.883 1.00 23.53 C ATOM 1123 CG ASP A 76 19.631 -28.416 13.172 1.00 41.52 C ATOM 1124 OD1 ASP A 76 19.617 -29.664 13.172 1.00 33.14 O ATOM 1125 OD2 ASP A 76 19.366 -27.727 14.179 1.00 10.44 O ATOM 0 H ASP A 76 18.343 -26.284 9.545 1.00 32.43 H new ATOM 0 HA ASP A 76 18.965 -28.865 10.395 1.00 1.32 H new ATOM 0 HB2 ASP A 76 20.933 -28.088 11.504 1.00 23.53 H new ATOM 0 HB3 ASP A 76 20.137 -26.640 12.089 1.00 23.53 H new ATOM 1130 N ASN A 77 16.532 -28.341 10.860 1.00 64.13 N ATOM 1131 CA ASN A 77 15.164 -28.244 11.353 1.00 14.15 C ATOM 1132 C ASN A 77 14.480 -26.989 10.818 1.00 71.40 C ATOM 1133 O ASN A 77 14.997 -26.323 9.922 1.00 41.23 O ATOM 1134 CB ASN A 77 15.151 -28.231 12.883 1.00 31.54 C ATOM 1135 CG ASN A 77 16.158 -29.197 13.478 1.00 41.03 C ATOM 1136 OD1 ASN A 77 16.347 -30.304 12.973 1.00 54.35 O ATOM 1137 ND2 ASN A 77 16.811 -28.781 14.557 1.00 53.02 N ATOM 0 H ASN A 77 16.648 -28.960 10.058 1.00 64.13 H new ATOM 0 HA ASN A 77 14.614 -29.116 10.998 1.00 14.15 H new ATOM 0 HB2 ASN A 77 15.366 -27.223 13.237 1.00 31.54 H new ATOM 0 HB3 ASN A 77 14.153 -28.487 13.237 1.00 31.54 H new ATOM 0 HD21 ASN A 77 17.501 -29.387 15.001 1.00 53.02 H new ATOM 0 HD22 ASN A 77 16.623 -27.855 14.942 1.00 53.02 H new ATOM 1144 N SER A 78 13.315 -26.674 11.374 1.00 13.01 N ATOM 1145 CA SER A 78 12.558 -25.501 10.951 1.00 61.53 C ATOM 1146 C SER A 78 13.192 -24.222 11.489 1.00 63.44 C ATOM 1147 O SER A 78 12.652 -23.581 12.391 1.00 45.15 O ATOM 1148 CB SER A 78 11.108 -25.605 11.427 1.00 11.32 C ATOM 1149 OG SER A 78 11.019 -26.343 12.634 1.00 51.43 O ATOM 0 H SER A 78 12.874 -27.214 12.118 1.00 13.01 H new ATOM 0 HA SER A 78 12.573 -25.463 9.862 1.00 61.53 H new ATOM 0 HB2 SER A 78 10.699 -24.606 11.577 1.00 11.32 H new ATOM 0 HB3 SER A 78 10.503 -26.085 10.658 1.00 11.32 H new ATOM 0 HG SER A 78 10.082 -26.394 12.918 1.00 51.43 H new ATOM 1155 N ILE A 79 14.341 -23.858 10.929 1.00 72.25 N ATOM 1156 CA ILE A 79 15.048 -22.656 11.350 1.00 5.25 C ATOM 1157 C ILE A 79 15.675 -21.940 10.159 1.00 63.23 C ATOM 1158 O ILE A 79 16.897 -21.913 10.010 1.00 71.41 O ATOM 1159 CB ILE A 79 16.150 -22.982 12.377 1.00 52.44 C ATOM 1160 CG1 ILE A 79 15.571 -23.791 13.539 1.00 61.33 C ATOM 1161 CG2 ILE A 79 16.795 -21.701 12.885 1.00 21.34 C ATOM 1162 CD1 ILE A 79 14.624 -23.000 14.414 1.00 64.31 C ATOM 0 H ILE A 79 14.802 -24.379 10.183 1.00 72.25 H new ATOM 0 HA ILE A 79 14.310 -22.003 11.815 1.00 5.25 H new ATOM 0 HB ILE A 79 16.917 -23.583 11.888 1.00 52.44 H new ATOM 0 HG12 ILE A 79 15.045 -24.659 13.140 1.00 61.33 H new ATOM 0 HG13 ILE A 79 16.390 -24.168 14.152 1.00 61.33 H new ATOM 0 HG21 ILE A 79 17.571 -21.947 13.610 1.00 21.34 H new ATOM 0 HG22 ILE A 79 17.238 -21.160 12.049 1.00 21.34 H new ATOM 0 HG23 ILE A 79 16.039 -21.077 13.361 1.00 21.34 H new ATOM 0 HD11 ILE A 79 14.252 -23.637 15.217 1.00 64.31 H new ATOM 0 HD12 ILE A 79 15.151 -22.147 14.842 1.00 64.31 H new ATOM 0 HD13 ILE A 79 13.785 -22.645 13.815 1.00 64.31 H new ATOM 1174 N SER A 80 14.830 -21.359 9.313 1.00 63.52 N ATOM 1175 CA SER A 80 15.301 -20.644 8.132 1.00 20.43 C ATOM 1176 C SER A 80 14.186 -19.794 7.532 1.00 52.12 C ATOM 1177 O SER A 80 13.004 -20.109 7.675 1.00 45.42 O ATOM 1178 CB SER A 80 15.824 -21.631 7.087 1.00 23.41 C ATOM 1179 OG SER A 80 15.558 -21.172 5.773 1.00 3.33 O ATOM 0 H SER A 80 13.816 -21.369 9.423 1.00 63.52 H new ATOM 0 HA SER A 80 16.114 -19.984 8.437 1.00 20.43 H new ATOM 0 HB2 SER A 80 16.897 -21.768 7.217 1.00 23.41 H new ATOM 0 HB3 SER A 80 15.358 -22.605 7.237 1.00 23.41 H new ATOM 0 HG SER A 80 16.366 -20.761 5.400 1.00 3.33 H new ATOM 1185 N SER A 81 14.571 -18.714 6.859 1.00 73.11 N ATOM 1186 CA SER A 81 13.604 -17.815 6.239 1.00 5.22 C ATOM 1187 C SER A 81 14.291 -16.876 5.252 1.00 24.10 C ATOM 1188 O SER A 81 15.519 -16.828 5.175 1.00 62.34 O ATOM 1189 CB SER A 81 12.873 -17.002 7.309 1.00 4.23 C ATOM 1190 OG SER A 81 11.484 -16.938 7.040 1.00 14.33 O ATOM 0 H SER A 81 15.545 -18.440 6.729 1.00 73.11 H new ATOM 0 HA SER A 81 12.879 -18.420 5.694 1.00 5.22 H new ATOM 0 HB2 SER A 81 13.037 -17.453 8.288 1.00 4.23 H new ATOM 0 HB3 SER A 81 13.286 -15.994 7.349 1.00 4.23 H new ATOM 0 HG SER A 81 11.039 -16.415 7.739 1.00 14.33 H new ATOM 1196 N PHE A 82 13.490 -16.131 4.499 1.00 52.44 N ATOM 1197 CA PHE A 82 14.019 -15.193 3.515 1.00 70.22 C ATOM 1198 C PHE A 82 13.054 -14.032 3.296 1.00 54.11 C ATOM 1199 O PHE A 82 11.845 -14.230 3.175 1.00 34.20 O ATOM 1200 CB PHE A 82 14.283 -15.908 2.188 1.00 24.42 C ATOM 1201 CG PHE A 82 13.032 -16.252 1.433 1.00 74.52 C ATOM 1202 CD1 PHE A 82 12.093 -17.114 1.977 1.00 12.24 C ATOM 1203 CD2 PHE A 82 12.794 -15.714 0.179 1.00 75.35 C ATOM 1204 CE1 PHE A 82 10.941 -17.433 1.284 1.00 55.40 C ATOM 1205 CE2 PHE A 82 11.643 -16.029 -0.520 1.00 32.25 C ATOM 1206 CZ PHE A 82 10.715 -16.889 0.035 1.00 53.34 C ATOM 0 H PHE A 82 12.472 -16.158 4.551 1.00 52.44 H new ATOM 0 HA PHE A 82 14.958 -14.794 3.899 1.00 70.22 H new ATOM 0 HB2 PHE A 82 14.913 -15.275 1.563 1.00 24.42 H new ATOM 0 HB3 PHE A 82 14.843 -16.822 2.382 1.00 24.42 H new ATOM 0 HD1 PHE A 82 12.264 -17.541 2.954 1.00 12.24 H new ATOM 0 HD2 PHE A 82 13.516 -15.040 -0.258 1.00 75.35 H new ATOM 0 HE1 PHE A 82 10.218 -18.107 1.719 1.00 55.40 H new ATOM 0 HE2 PHE A 82 11.470 -15.604 -1.498 1.00 32.25 H new ATOM 0 HZ PHE A 82 9.814 -17.135 -0.507 1.00 53.34 H new ATOM 1216 N ARG A 83 13.597 -12.820 3.247 1.00 72.04 N ATOM 1217 CA ARG A 83 12.785 -11.626 3.044 1.00 35.43 C ATOM 1218 C ARG A 83 12.821 -11.185 1.584 1.00 1.01 C ATOM 1219 O ARG A 83 13.874 -10.820 1.063 1.00 3.41 O ATOM 1220 CB ARG A 83 13.276 -10.491 3.944 1.00 52.21 C ATOM 1221 CG ARG A 83 13.130 -10.783 5.428 1.00 34.03 C ATOM 1222 CD ARG A 83 11.677 -11.025 5.808 1.00 2.11 C ATOM 1223 NE ARG A 83 10.816 -9.914 5.412 1.00 34.12 N ATOM 1224 CZ ARG A 83 9.492 -10.002 5.335 1.00 45.24 C ATOM 1225 NH1 ARG A 83 8.882 -11.143 5.625 1.00 42.54 N ATOM 1226 NH2 ARG A 83 8.777 -8.947 4.967 1.00 52.34 N ATOM 0 H ARG A 83 14.596 -12.639 3.345 1.00 72.04 H new ATOM 0 HA ARG A 83 11.755 -11.869 3.306 1.00 35.43 H new ATOM 0 HB2 ARG A 83 14.325 -10.292 3.723 1.00 52.21 H new ATOM 0 HB3 ARG A 83 12.722 -9.583 3.705 1.00 52.21 H new ATOM 0 HG2 ARG A 83 13.726 -11.658 5.688 1.00 34.03 H new ATOM 0 HG3 ARG A 83 13.524 -9.946 6.005 1.00 34.03 H new ATOM 0 HD2 ARG A 83 11.326 -11.942 5.335 1.00 2.11 H new ATOM 0 HD3 ARG A 83 11.604 -11.174 6.885 1.00 2.11 H new ATOM 0 HE ARG A 83 11.254 -9.022 5.182 1.00 34.12 H new ATOM 0 HH11 ARG A 83 9.429 -11.956 5.908 1.00 42.54 H new ATOM 0 HH12 ARG A 83 7.866 -11.208 5.565 1.00 42.54 H new ATOM 0 HH21 ARG A 83 9.243 -8.068 4.743 1.00 52.34 H new ATOM 0 HH22 ARG A 83 7.761 -9.015 4.908 1.00 52.34 H new ATOM 1240 N GLN A 84 11.664 -11.223 0.931 1.00 42.42 N ATOM 1241 CA GLN A 84 11.565 -10.828 -0.469 1.00 50.33 C ATOM 1242 C GLN A 84 11.416 -9.315 -0.599 1.00 64.41 C ATOM 1243 O GLN A 84 10.341 -8.765 -0.360 1.00 60.15 O ATOM 1244 CB GLN A 84 10.379 -11.528 -1.136 1.00 3.43 C ATOM 1245 CG GLN A 84 10.286 -13.009 -0.809 1.00 74.43 C ATOM 1246 CD GLN A 84 9.101 -13.338 0.078 1.00 3.44 C ATOM 1247 OE1 GLN A 84 9.267 -13.738 1.231 1.00 72.10 O ATOM 1248 NE2 GLN A 84 7.897 -13.169 -0.455 1.00 31.22 N ATOM 0 H GLN A 84 10.783 -11.523 1.348 1.00 42.42 H new ATOM 0 HA GLN A 84 12.485 -11.129 -0.971 1.00 50.33 H new ATOM 0 HB2 GLN A 84 9.457 -11.037 -0.826 1.00 3.43 H new ATOM 0 HB3 GLN A 84 10.457 -11.407 -2.216 1.00 3.43 H new ATOM 0 HG2 GLN A 84 10.210 -13.578 -1.736 1.00 74.43 H new ATOM 0 HG3 GLN A 84 11.204 -13.326 -0.315 1.00 74.43 H new ATOM 0 HE21 GLN A 84 7.806 -12.835 -1.415 1.00 31.22 H new ATOM 0 HE22 GLN A 84 7.063 -13.373 0.095 1.00 31.22 H new ATOM 1257 N ILE A 85 12.502 -8.650 -0.978 1.00 40.41 N ATOM 1258 CA ILE A 85 12.492 -7.201 -1.140 1.00 75.10 C ATOM 1259 C ILE A 85 12.509 -6.813 -2.615 1.00 3.35 C ATOM 1260 O ILE A 85 13.013 -7.556 -3.457 1.00 55.43 O ATOM 1261 CB ILE A 85 13.694 -6.547 -0.434 1.00 13.11 C ATOM 1262 CG1 ILE A 85 14.988 -7.276 -0.802 1.00 53.30 C ATOM 1263 CG2 ILE A 85 13.488 -6.550 1.074 1.00 43.34 C ATOM 1264 CD1 ILE A 85 16.228 -6.426 -0.637 1.00 51.41 C ATOM 0 H ILE A 85 13.400 -9.091 -1.179 1.00 40.41 H new ATOM 0 HA ILE A 85 11.572 -6.838 -0.682 1.00 75.10 H new ATOM 0 HB ILE A 85 13.775 -5.513 -0.768 1.00 13.11 H new ATOM 0 HG12 ILE A 85 15.083 -8.167 -0.181 1.00 53.30 H new ATOM 0 HG13 ILE A 85 14.924 -7.614 -1.836 1.00 53.30 H new ATOM 0 HG21 ILE A 85 14.346 -6.085 1.559 1.00 43.34 H new ATOM 0 HG22 ILE A 85 12.585 -5.991 1.319 1.00 43.34 H new ATOM 0 HG23 ILE A 85 13.385 -7.577 1.425 1.00 43.34 H new ATOM 0 HD11 ILE A 85 17.107 -7.007 -0.916 1.00 51.41 H new ATOM 0 HD12 ILE A 85 16.155 -5.548 -1.279 1.00 51.41 H new ATOM 0 HD13 ILE A 85 16.317 -6.110 0.402 1.00 51.41 H new