USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 620 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 59 ASN : amide:sc= 0.186 K(o=-1.3,f=-12!) USER MOD Set 1.2: A 62 ASN : amide:sc= -1.45 K(o=-1.3,f=-4.9!) USER MOD Set 2.1: A 47 SER OG : rot 180:sc=-0.00241 USER MOD Set 2.2: A 49 HIS : no HD1:sc= -1.75 K(o=-1.8,f=-0.69) USER MOD Set 3.1: A 30 LYS NZ :NH3+ -166:sc= 1.08 (180deg=0.787) USER MOD Set 3.2: A 46 CYS SG : rot -150:sc= -2.19! USER MOD Single : A 7 ASN : amide:sc= -0.224 K(o=-0.22,f=-1.3) USER MOD Single : A 8 LYS NZ :NH3+ -158:sc= -0.0796 (180deg=-0.416) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 140:sc= -0.0975 USER MOD Single : A 14 MET CE :methyl 153:sc= -1.6 (180deg=-3.98!) USER MOD Single : A 15 ASN : amide:sc= 0.94 K(o=0.94,f=-2.7!) USER MOD Single : A 16 SER OG : rot -37:sc= 0.592 USER MOD Single : A 22 ASN : amide:sc= 0.748 K(o=0.75,f=-0.082) USER MOD Single : A 24 ASN : amide:sc= -1.69 K(o=-1.7,f=-7!) USER MOD Single : A 25 THR OG1 : rot -14:sc= 1.15 USER MOD Single : A 29 LYS NZ :NH3+ 143:sc= 0.989 (180deg=0.0346) USER MOD Single : A 31 SER OG : rot 180:sc=-0.00424 USER MOD Single : A 38 SER OG : rot -34:sc= 0.422 USER MOD Single : A 39 LYS NZ :NH3+ -178:sc= 2.12 (180deg=2) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 1.05 K(o=1,f=-4.9!) USER MOD Single : A 57 TYR OH : rot -10:sc= 0.56 USER MOD Single : A 74 MET CE :methyl -137:sc= -0.0683 (180deg=-0.81) USER MOD Single : A 78 GLN : amide:sc= -1.52 K(o=-1.5,f=0) USER MOD Single : A 83 ASN : amide:sc= 0.446 K(o=0.45,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 67 N ASN A 7 -3.907 11.739 6.501 1.00 0.00 N ATOM 68 CA ASN A 7 -4.386 11.782 7.881 1.00 0.00 C ATOM 69 C ASN A 7 -5.053 13.113 8.234 1.00 0.00 C ATOM 70 O ASN A 7 -5.115 13.495 9.402 1.00 0.00 O ATOM 71 CB ASN A 7 -3.239 11.425 8.825 1.00 0.00 C ATOM 72 CG ASN A 7 -3.694 11.089 10.235 1.00 0.00 C ATOM 73 OD1 ASN A 7 -4.857 10.785 10.482 1.00 0.00 O ATOM 74 ND2 ASN A 7 -2.756 11.146 11.175 1.00 0.00 N ATOM 0 HA ASN A 7 -5.174 11.038 7.998 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -2.694 10.574 8.416 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -2.541 12.261 8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -2.992 10.933 12.144 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -1.801 11.403 10.927 1.00 0.00 H new ATOM 81 N LYS A 8 -5.560 13.836 7.231 1.00 0.00 N ATOM 82 CA LYS A 8 -6.266 15.094 7.457 1.00 0.00 C ATOM 83 C LYS A 8 -7.646 14.803 8.045 1.00 0.00 C ATOM 84 O LYS A 8 -8.160 13.696 7.913 1.00 0.00 O ATOM 85 CB LYS A 8 -6.363 15.889 6.152 1.00 0.00 C ATOM 86 CG LYS A 8 -5.101 16.695 5.817 1.00 0.00 C ATOM 87 CD LYS A 8 -3.815 15.862 5.743 1.00 0.00 C ATOM 88 CE LYS A 8 -3.139 15.687 7.108 1.00 0.00 C ATOM 89 NZ LYS A 8 -2.633 16.971 7.629 1.00 0.00 N ATOM 0 H LYS A 8 -5.492 13.566 6.250 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.712 15.705 8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.570 15.200 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -7.211 16.571 6.216 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.249 17.197 4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.972 17.473 6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.047 14.881 5.329 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.117 16.341 5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.850 15.261 7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.315 14.979 7.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.884 16.791 8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -2.247 17.536 6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.411 17.493 8.081 1.00 0.00 H new ATOM 103 N THR A 9 -8.250 15.798 8.695 1.00 0.00 N ATOM 104 CA THR A 9 -9.516 15.613 9.399 1.00 0.00 C ATOM 105 C THR A 9 -10.522 16.700 9.039 1.00 0.00 C ATOM 106 O THR A 9 -11.394 17.033 9.843 1.00 0.00 O ATOM 107 CB THR A 9 -9.288 15.518 10.911 1.00 0.00 C ATOM 108 OG1 THR A 9 -8.623 16.672 11.379 1.00 0.00 O ATOM 109 CG2 THR A 9 -8.442 14.292 11.244 1.00 0.00 C ATOM 0 H THR A 9 -7.878 16.746 8.748 1.00 0.00 H new ATOM 0 HA THR A 9 -9.948 14.667 9.072 1.00 0.00 H new ATOM 0 HB THR A 9 -10.260 15.433 11.396 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.485 16.600 12.347 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.288 14.238 12.322 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.956 13.392 10.905 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.477 14.369 10.743 1.00 0.00 H new ATOM 117 N ASP A 10 -10.411 17.262 7.833 1.00 0.00 N ATOM 118 CA ASP A 10 -11.314 18.299 7.364 1.00 0.00 C ATOM 119 C ASP A 10 -12.698 17.706 7.088 1.00 0.00 C ATOM 120 O ASP A 10 -12.820 16.514 6.801 1.00 0.00 O ATOM 121 CB ASP A 10 -10.721 18.955 6.114 1.00 0.00 C ATOM 122 CG ASP A 10 -9.391 19.634 6.424 1.00 0.00 C ATOM 123 OD1 ASP A 10 -9.437 20.783 6.919 1.00 0.00 O ATOM 124 OD2 ASP A 10 -8.343 19.004 6.161 1.00 0.00 O ATOM 0 H ASP A 10 -9.690 17.006 7.159 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.433 19.064 8.131 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.576 18.202 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.423 19.689 5.718 1.00 0.00 H new ATOM 129 N PRO A 11 -13.752 18.528 7.169 1.00 0.00 N ATOM 130 CA PRO A 11 -15.136 18.102 7.018 1.00 0.00 C ATOM 131 C PRO A 11 -15.456 17.600 5.609 1.00 0.00 C ATOM 132 O PRO A 11 -16.568 17.133 5.370 1.00 0.00 O ATOM 133 CB PRO A 11 -15.975 19.337 7.356 1.00 0.00 C ATOM 134 CG PRO A 11 -15.043 20.500 7.027 1.00 0.00 C ATOM 135 CD PRO A 11 -13.678 19.950 7.427 1.00 0.00 C ATOM 0 HA PRO A 11 -15.348 17.256 7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -16.890 19.375 6.764 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -16.273 19.345 8.404 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.081 20.764 5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -15.300 21.398 7.589 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.881 20.415 6.847 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.465 20.149 8.477 1.00 0.00 H new ATOM 143 N ARG A 12 -14.502 17.690 4.675 1.00 0.00 N ATOM 144 CA ARG A 12 -14.690 17.195 3.316 1.00 0.00 C ATOM 145 C ARG A 12 -13.564 16.272 2.868 1.00 0.00 C ATOM 146 O ARG A 12 -13.636 15.717 1.774 1.00 0.00 O ATOM 147 CB ARG A 12 -14.905 18.377 2.363 1.00 0.00 C ATOM 148 CG ARG A 12 -13.694 19.305 2.233 1.00 0.00 C ATOM 149 CD ARG A 12 -12.656 18.778 1.240 1.00 0.00 C ATOM 150 NE ARG A 12 -11.563 19.741 1.078 1.00 0.00 N ATOM 151 CZ ARG A 12 -10.659 19.698 0.095 1.00 0.00 C ATOM 152 NH1 ARG A 12 -10.702 18.741 -0.824 1.00 0.00 N ATOM 153 NH2 ARG A 12 -9.705 20.620 0.032 1.00 0.00 N ATOM 0 H ARG A 12 -13.586 18.106 4.843 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.586 16.574 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.161 17.992 1.376 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.759 18.959 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -14.029 20.292 1.914 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -13.228 19.427 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -12.260 17.825 1.591 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -13.129 18.591 0.276 1.00 0.00 H new ATOM 0 HE ARG A 12 -11.487 20.494 1.761 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.431 18.028 -0.784 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.006 18.718 -1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.663 21.359 0.733 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.014 20.589 -0.718 1.00 0.00 H new ATOM 167 N SER A 13 -12.527 16.098 3.694 1.00 0.00 N ATOM 168 CA SER A 13 -11.448 15.170 3.378 1.00 0.00 C ATOM 169 C SER A 13 -11.680 13.827 4.061 1.00 0.00 C ATOM 170 O SER A 13 -11.249 12.794 3.554 1.00 0.00 O ATOM 171 CB SER A 13 -10.101 15.768 3.772 1.00 0.00 C ATOM 172 OG SER A 13 -9.972 15.825 5.176 1.00 0.00 O ATOM 0 H SER A 13 -12.416 16.588 4.582 1.00 0.00 H new ATOM 0 HA SER A 13 -11.437 14.998 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.294 15.168 3.352 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.005 16.769 3.352 1.00 0.00 H new ATOM 0 HG SER A 13 -9.058 15.580 5.431 1.00 0.00 H new ATOM 178 N MET A 14 -12.368 13.835 5.209 1.00 0.00 N ATOM 179 CA MET A 14 -12.690 12.621 5.949 1.00 0.00 C ATOM 180 C MET A 14 -13.700 11.754 5.199 1.00 0.00 C ATOM 181 O MET A 14 -13.774 10.551 5.436 1.00 0.00 O ATOM 182 CB MET A 14 -13.266 13.030 7.309 1.00 0.00 C ATOM 183 CG MET A 14 -12.140 13.451 8.247 1.00 0.00 C ATOM 184 SD MET A 14 -11.762 12.279 9.583 1.00 0.00 S ATOM 185 CE MET A 14 -11.854 10.695 8.703 1.00 0.00 C ATOM 0 H MET A 14 -12.715 14.688 5.647 1.00 0.00 H new ATOM 0 HA MET A 14 -11.783 12.029 6.072 1.00 0.00 H new ATOM 0 HB2 MET A 14 -13.971 13.851 7.182 1.00 0.00 H new ATOM 0 HB3 MET A 14 -13.820 12.198 7.743 1.00 0.00 H new ATOM 0 HG2 MET A 14 -11.237 13.607 7.657 1.00 0.00 H new ATOM 0 HG3 MET A 14 -12.400 14.412 8.692 1.00 0.00 H new ATOM 0 HE1 MET A 14 -11.215 9.965 9.200 1.00 0.00 H new ATOM 0 HE2 MET A 14 -12.883 10.337 8.705 1.00 0.00 H new ATOM 0 HE3 MET A 14 -11.519 10.830 7.675 1.00 0.00 H new ATOM 195 N ASN A 15 -14.476 12.360 4.296 1.00 0.00 N ATOM 196 CA ASN A 15 -15.455 11.655 3.477 1.00 0.00 C ATOM 197 C ASN A 15 -15.000 11.596 2.018 1.00 0.00 C ATOM 198 O ASN A 15 -15.724 11.093 1.161 1.00 0.00 O ATOM 199 CB ASN A 15 -16.840 12.284 3.662 1.00 0.00 C ATOM 200 CG ASN A 15 -16.790 13.803 3.691 1.00 0.00 C ATOM 201 OD1 ASN A 15 -16.935 14.460 2.667 1.00 0.00 O ATOM 202 ND2 ASN A 15 -16.580 14.365 4.877 1.00 0.00 N ATOM 0 H ASN A 15 -14.439 13.363 4.114 1.00 0.00 H new ATOM 0 HA ASN A 15 -15.534 10.619 3.806 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -17.494 11.961 2.852 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -17.280 11.920 4.591 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -16.534 15.381 4.959 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.464 13.781 5.705 1.00 0.00 H new ATOM 209 N SER A 16 -13.797 12.109 1.744 1.00 0.00 N ATOM 210 CA SER A 16 -13.157 12.018 0.439 1.00 0.00 C ATOM 211 C SER A 16 -12.019 10.998 0.502 1.00 0.00 C ATOM 212 O SER A 16 -11.272 10.817 -0.456 1.00 0.00 O ATOM 213 CB SER A 16 -12.660 13.405 0.030 1.00 0.00 C ATOM 214 OG SER A 16 -11.949 13.341 -1.182 1.00 0.00 O ATOM 0 H SER A 16 -13.236 12.606 2.436 1.00 0.00 H new ATOM 0 HA SER A 16 -13.866 11.677 -0.315 1.00 0.00 H new ATOM 0 HB2 SER A 16 -13.506 14.084 -0.075 1.00 0.00 H new ATOM 0 HB3 SER A 16 -12.019 13.812 0.812 1.00 0.00 H new ATOM 0 HG SER A 16 -11.420 12.516 -1.208 1.00 0.00 H new ATOM 220 N ARG A 17 -11.879 10.322 1.645 1.00 0.00 N ATOM 221 CA ARG A 17 -10.792 9.389 1.875 1.00 0.00 C ATOM 222 C ARG A 17 -11.302 7.957 1.916 1.00 0.00 C ATOM 223 O ARG A 17 -12.438 7.701 2.316 1.00 0.00 O ATOM 224 CB ARG A 17 -10.058 9.804 3.145 1.00 0.00 C ATOM 225 CG ARG A 17 -8.821 8.938 3.344 1.00 0.00 C ATOM 226 CD ARG A 17 -7.868 9.645 4.288 1.00 0.00 C ATOM 227 NE ARG A 17 -8.448 9.823 5.617 1.00 0.00 N ATOM 228 CZ ARG A 17 -8.578 11.000 6.236 1.00 0.00 C ATOM 229 NH1 ARG A 17 -8.349 12.146 5.607 1.00 0.00 N ATOM 230 NH2 ARG A 17 -8.944 11.043 7.513 1.00 0.00 N ATOM 0 H ARG A 17 -12.521 10.412 2.433 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.082 9.420 1.049 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.770 10.853 3.081 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.721 9.707 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.103 7.967 3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.334 8.752 2.387 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -6.945 9.071 4.369 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.603 10.618 3.874 1.00 0.00 H new ATOM 0 HE ARG A 17 -8.777 8.991 6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.066 12.142 4.627 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.456 13.031 6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -9.126 10.177 8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -9.043 11.942 7.985 1.00 0.00 H new ATOM 244 N VAL A 18 -10.439 7.034 1.497 1.00 0.00 N ATOM 245 CA VAL A 18 -10.752 5.619 1.399 1.00 0.00 C ATOM 246 C VAL A 18 -9.918 4.837 2.404 1.00 0.00 C ATOM 247 O VAL A 18 -8.707 5.038 2.492 1.00 0.00 O ATOM 248 CB VAL A 18 -10.442 5.126 -0.020 1.00 0.00 C ATOM 249 CG1 VAL A 18 -10.901 3.684 -0.191 1.00 0.00 C ATOM 250 CG2 VAL A 18 -11.116 5.986 -1.087 1.00 0.00 C ATOM 0 H VAL A 18 -9.486 7.258 1.212 1.00 0.00 H new ATOM 0 HA VAL A 18 -11.809 5.467 1.615 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.362 5.197 -0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.675 3.348 -1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.382 3.049 0.527 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -11.976 3.622 -0.020 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.868 5.600 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -12.197 5.959 -0.947 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.765 7.014 -1.001 1.00 0.00 H new ATOM 260 N PHE A 19 -10.573 3.952 3.155 1.00 0.00 N ATOM 261 CA PHE A 19 -9.897 3.020 4.040 1.00 0.00 C ATOM 262 C PHE A 19 -9.850 1.672 3.328 1.00 0.00 C ATOM 263 O PHE A 19 -10.873 1.217 2.820 1.00 0.00 O ATOM 264 CB PHE A 19 -10.651 2.941 5.366 1.00 0.00 C ATOM 265 CG PHE A 19 -10.105 1.913 6.332 1.00 0.00 C ATOM 266 CD1 PHE A 19 -8.723 1.837 6.586 1.00 0.00 C ATOM 267 CD2 PHE A 19 -10.979 1.034 6.982 1.00 0.00 C ATOM 268 CE1 PHE A 19 -8.229 0.878 7.482 1.00 0.00 C ATOM 269 CE2 PHE A 19 -10.486 0.081 7.882 1.00 0.00 C ATOM 270 CZ PHE A 19 -9.109 0.002 8.131 1.00 0.00 C ATOM 0 H PHE A 19 -11.589 3.866 3.163 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.881 3.342 4.268 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -10.626 3.920 5.844 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -11.697 2.712 5.163 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.044 2.516 6.092 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.040 1.091 6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -7.168 0.815 7.672 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -11.166 -0.592 8.383 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.726 -0.734 8.823 1.00 0.00 H new ATOM 280 N ILE A 20 -8.678 1.036 3.290 1.00 0.00 N ATOM 281 CA ILE A 20 -8.492 -0.228 2.586 1.00 0.00 C ATOM 282 C ILE A 20 -7.944 -1.245 3.575 1.00 0.00 C ATOM 283 O ILE A 20 -6.735 -1.324 3.785 1.00 0.00 O ATOM 284 CB ILE A 20 -7.536 -0.026 1.406 1.00 0.00 C ATOM 285 CG1 ILE A 20 -8.048 1.078 0.478 1.00 0.00 C ATOM 286 CG2 ILE A 20 -7.389 -1.339 0.630 1.00 0.00 C ATOM 287 CD1 ILE A 20 -6.978 1.492 -0.537 1.00 0.00 C ATOM 0 H ILE A 20 -7.835 1.384 3.746 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.438 -0.592 2.185 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.563 0.276 1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -8.937 0.730 -0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -8.346 1.944 1.069 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -6.708 -1.192 -0.209 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.990 -2.109 1.290 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -8.364 -1.651 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -7.372 2.278 -1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -6.100 1.863 -0.009 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -6.700 0.631 -1.144 1.00 0.00 H new ATOM 299 N GLY A 21 -8.839 -2.020 4.186 1.00 0.00 N ATOM 300 CA GLY A 21 -8.474 -2.994 5.201 1.00 0.00 C ATOM 301 C GLY A 21 -8.343 -4.406 4.640 1.00 0.00 C ATOM 302 O GLY A 21 -8.643 -4.659 3.475 1.00 0.00 O ATOM 0 H GLY A 21 -9.839 -1.986 3.987 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.529 -2.700 5.658 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -9.225 -2.989 5.991 1.00 0.00 H new ATOM 306 N ASN A 22 -7.883 -5.326 5.496 1.00 0.00 N ATOM 307 CA ASN A 22 -7.673 -6.734 5.186 1.00 0.00 C ATOM 308 C ASN A 22 -6.754 -6.938 3.971 1.00 0.00 C ATOM 309 O ASN A 22 -6.704 -8.023 3.396 1.00 0.00 O ATOM 310 CB ASN A 22 -9.027 -7.443 5.059 1.00 0.00 C ATOM 311 CG ASN A 22 -8.913 -8.953 5.217 1.00 0.00 C ATOM 312 OD1 ASN A 22 -8.895 -9.459 6.337 1.00 0.00 O ATOM 313 ND2 ASN A 22 -8.834 -9.682 4.110 1.00 0.00 N ATOM 0 H ASN A 22 -7.639 -5.095 6.459 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.136 -7.199 6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.710 -7.053 5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.463 -7.215 4.086 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.755 -10.697 4.172 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.852 -9.227 3.197 1.00 0.00 H new ATOM 320 N LEU A 23 -6.020 -5.896 3.571 1.00 0.00 N ATOM 321 CA LEU A 23 -5.143 -5.940 2.414 1.00 0.00 C ATOM 322 C LEU A 23 -3.943 -6.849 2.692 1.00 0.00 C ATOM 323 O LEU A 23 -3.538 -7.002 3.845 1.00 0.00 O ATOM 324 CB LEU A 23 -4.740 -4.502 2.072 1.00 0.00 C ATOM 325 CG LEU A 23 -3.891 -4.361 0.804 1.00 0.00 C ATOM 326 CD1 LEU A 23 -4.607 -4.923 -0.423 1.00 0.00 C ATOM 327 CD2 LEU A 23 -3.623 -2.878 0.569 1.00 0.00 C ATOM 0 H LEU A 23 -6.023 -4.995 4.049 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.650 -6.369 1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.643 -3.903 1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.186 -4.084 2.913 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.966 -4.920 0.946 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.972 -4.804 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.818 -5.981 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.543 -4.385 -0.576 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.019 -2.755 -0.330 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.570 -2.352 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.088 -2.465 1.424 1.00 0.00 H new ATOM 339 N ASN A 24 -3.374 -7.453 1.643 1.00 0.00 N ATOM 340 CA ASN A 24 -2.266 -8.390 1.792 1.00 0.00 C ATOM 341 C ASN A 24 -1.028 -7.693 2.351 1.00 0.00 C ATOM 342 O ASN A 24 -0.343 -8.242 3.210 1.00 0.00 O ATOM 343 CB ASN A 24 -1.959 -9.024 0.434 1.00 0.00 C ATOM 344 CG ASN A 24 -1.438 -8.009 -0.572 1.00 0.00 C ATOM 345 OD1 ASN A 24 -2.044 -6.964 -0.788 1.00 0.00 O ATOM 346 ND2 ASN A 24 -0.303 -8.307 -1.196 1.00 0.00 N ATOM 0 H ASN A 24 -3.668 -7.305 0.678 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.552 -9.167 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -1.221 -9.816 0.564 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.862 -9.491 0.041 1.00 0.00 H new ATOM 0 HD21 ASN A 24 0.090 -7.658 -1.878 1.00 0.00 H new ATOM 0 HD22 ASN A 24 0.175 -9.185 -0.993 1.00 0.00 H new ATOM 353 N THR A 25 -0.757 -6.482 1.851 1.00 0.00 N ATOM 354 CA THR A 25 0.329 -5.586 2.243 1.00 0.00 C ATOM 355 C THR A 25 1.743 -6.167 2.226 1.00 0.00 C ATOM 356 O THR A 25 2.690 -5.427 2.482 1.00 0.00 O ATOM 357 CB THR A 25 0.027 -4.918 3.585 1.00 0.00 C ATOM 358 OG1 THR A 25 0.078 -5.855 4.637 1.00 0.00 O ATOM 359 CG2 THR A 25 -1.363 -4.293 3.542 1.00 0.00 C ATOM 0 H THR A 25 -1.332 -6.078 1.112 1.00 0.00 H new ATOM 0 HA THR A 25 0.350 -4.844 1.445 1.00 0.00 H new ATOM 0 HB THR A 25 0.780 -4.150 3.762 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.070 -6.763 4.267 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.578 -3.817 4.499 1.00 0.00 H new ATOM 0 HG22 THR A 25 -1.402 -3.547 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.105 -5.068 3.348 1.00 0.00 H new ATOM 367 N LEU A 26 1.922 -7.461 1.936 1.00 0.00 N ATOM 368 CA LEU A 26 3.265 -8.031 1.879 1.00 0.00 C ATOM 369 C LEU A 26 3.799 -8.047 0.450 1.00 0.00 C ATOM 370 O LEU A 26 4.982 -8.301 0.238 1.00 0.00 O ATOM 371 CB LEU A 26 3.301 -9.447 2.462 1.00 0.00 C ATOM 372 CG LEU A 26 2.641 -9.639 3.832 1.00 0.00 C ATOM 373 CD1 LEU A 26 3.293 -10.861 4.477 1.00 0.00 C ATOM 374 CD2 LEU A 26 2.790 -8.467 4.801 1.00 0.00 C ATOM 0 H LEU A 26 1.167 -8.119 1.741 1.00 0.00 H new ATOM 0 HA LEU A 26 3.906 -7.392 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.818 -10.120 1.753 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.343 -9.758 2.538 1.00 0.00 H new ATOM 0 HG LEU A 26 1.571 -9.743 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.851 -11.034 5.458 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.131 -11.735 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.363 -10.687 4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.288 -8.704 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.848 -8.284 4.991 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.341 -7.575 4.365 1.00 0.00 H new ATOM 386 N VAL A 27 2.929 -7.780 -0.530 1.00 0.00 N ATOM 387 CA VAL A 27 3.305 -7.804 -1.939 1.00 0.00 C ATOM 388 C VAL A 27 2.829 -6.533 -2.643 1.00 0.00 C ATOM 389 O VAL A 27 3.292 -6.226 -3.740 1.00 0.00 O ATOM 390 CB VAL A 27 2.735 -9.060 -2.605 1.00 0.00 C ATOM 391 CG1 VAL A 27 3.380 -9.289 -3.971 1.00 0.00 C ATOM 392 CG2 VAL A 27 3.004 -10.305 -1.753 1.00 0.00 C ATOM 0 H VAL A 27 1.951 -7.543 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 27 4.391 -7.836 -2.021 1.00 0.00 H new ATOM 0 HB VAL A 27 1.662 -8.903 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.960 -10.186 -4.426 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.185 -8.431 -4.614 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.456 -9.414 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 27 2.589 -11.182 -2.249 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.079 -10.434 -1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.536 -10.185 -0.776 1.00 0.00 H new ATOM 402 N VAL A 28 1.907 -5.779 -2.028 1.00 0.00 N ATOM 403 CA VAL A 28 1.450 -4.510 -2.575 1.00 0.00 C ATOM 404 C VAL A 28 2.387 -3.405 -2.098 1.00 0.00 C ATOM 405 O VAL A 28 3.094 -3.572 -1.104 1.00 0.00 O ATOM 406 CB VAL A 28 -0.012 -4.256 -2.173 1.00 0.00 C ATOM 407 CG1 VAL A 28 -0.087 -3.359 -0.941 1.00 0.00 C ATOM 408 CG2 VAL A 28 -0.805 -3.595 -3.297 1.00 0.00 C ATOM 0 H VAL A 28 1.465 -6.035 -1.145 1.00 0.00 H new ATOM 0 HA VAL A 28 1.476 -4.530 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.448 -5.231 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.131 -3.193 -0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.427 -3.840 -0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.389 -2.403 -1.158 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.833 -3.433 -2.971 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.349 -2.637 -3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.800 -4.241 -4.175 1.00 0.00 H new ATOM 418 N LYS A 29 2.398 -2.276 -2.805 1.00 0.00 N ATOM 419 CA LYS A 29 3.210 -1.124 -2.440 1.00 0.00 C ATOM 420 C LYS A 29 2.423 0.152 -2.709 1.00 0.00 C ATOM 421 O LYS A 29 1.344 0.111 -3.299 1.00 0.00 O ATOM 422 CB LYS A 29 4.544 -1.119 -3.201 1.00 0.00 C ATOM 423 CG LYS A 29 4.445 -1.729 -4.600 1.00 0.00 C ATOM 424 CD LYS A 29 4.814 -3.215 -4.555 1.00 0.00 C ATOM 425 CE LYS A 29 4.334 -3.937 -5.809 1.00 0.00 C ATOM 426 NZ LYS A 29 4.875 -3.327 -7.038 1.00 0.00 N ATOM 0 H LYS A 29 1.842 -2.138 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 29 3.447 -1.181 -1.378 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.903 -0.093 -3.284 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.286 -1.671 -2.623 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.433 -1.609 -4.986 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.111 -1.202 -5.283 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.895 -3.322 -4.461 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.370 -3.677 -3.673 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.633 -4.984 -5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.245 -3.918 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.088 -4.073 -7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.173 -2.672 -7.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.746 -2.805 -6.812 1.00 0.00 H new ATOM 440 N LYS A 30 2.959 1.293 -2.274 1.00 0.00 N ATOM 441 CA LYS A 30 2.299 2.573 -2.491 1.00 0.00 C ATOM 442 C LYS A 30 2.122 2.840 -3.979 1.00 0.00 C ATOM 443 O LYS A 30 1.147 3.471 -4.378 1.00 0.00 O ATOM 444 CB LYS A 30 3.126 3.678 -1.834 1.00 0.00 C ATOM 445 CG LYS A 30 2.503 5.029 -2.176 1.00 0.00 C ATOM 446 CD LYS A 30 3.179 6.144 -1.389 1.00 0.00 C ATOM 447 CE LYS A 30 2.540 7.474 -1.776 1.00 0.00 C ATOM 448 NZ LYS A 30 2.848 7.837 -3.174 1.00 0.00 N ATOM 0 H LYS A 30 3.845 1.353 -1.772 1.00 0.00 H new ATOM 0 HA LYS A 30 1.307 2.551 -2.040 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.153 3.538 -0.753 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.157 3.638 -2.186 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.600 5.220 -3.245 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.437 5.012 -1.950 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.070 5.970 -0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.248 6.162 -1.602 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.460 7.411 -1.645 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.897 8.258 -1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.608 8.836 -3.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.862 7.691 -3.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.291 7.240 -3.818 1.00 0.00 H new ATOM 462 N SER A 31 3.057 2.357 -4.798 1.00 0.00 N ATOM 463 CA SER A 31 3.039 2.567 -6.236 1.00 0.00 C ATOM 464 C SER A 31 2.011 1.660 -6.908 1.00 0.00 C ATOM 465 O SER A 31 1.741 1.809 -8.099 1.00 0.00 O ATOM 466 CB SER A 31 4.440 2.333 -6.800 1.00 0.00 C ATOM 467 OG SER A 31 4.869 1.023 -6.497 1.00 0.00 O ATOM 0 H SER A 31 3.852 1.806 -4.474 1.00 0.00 H new ATOM 0 HA SER A 31 2.744 3.596 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.436 2.483 -7.880 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.136 3.059 -6.380 1.00 0.00 H new ATOM 0 HG SER A 31 5.767 0.880 -6.863 1.00 0.00 H new ATOM 473 N ASP A 32 1.436 0.727 -6.145 1.00 0.00 N ATOM 474 CA ASP A 32 0.377 -0.140 -6.624 1.00 0.00 C ATOM 475 C ASP A 32 -0.978 0.408 -6.194 1.00 0.00 C ATOM 476 O ASP A 32 -1.925 0.383 -6.973 1.00 0.00 O ATOM 477 CB ASP A 32 0.601 -1.555 -6.085 1.00 0.00 C ATOM 478 CG ASP A 32 1.484 -2.375 -7.019 1.00 0.00 C ATOM 479 OD1 ASP A 32 2.522 -1.835 -7.466 1.00 0.00 O ATOM 480 OD2 ASP A 32 1.115 -3.539 -7.283 1.00 0.00 O ATOM 0 H ASP A 32 1.699 0.558 -5.174 1.00 0.00 H new ATOM 0 HA ASP A 32 0.391 -0.177 -7.713 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.063 -1.501 -5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.360 -2.054 -5.959 1.00 0.00 H new ATOM 485 N VAL A 33 -1.089 0.910 -4.958 1.00 0.00 N ATOM 486 CA VAL A 33 -2.364 1.417 -4.469 1.00 0.00 C ATOM 487 C VAL A 33 -2.725 2.723 -5.179 1.00 0.00 C ATOM 488 O VAL A 33 -3.902 2.981 -5.423 1.00 0.00 O ATOM 489 CB VAL A 33 -2.317 1.569 -2.945 1.00 0.00 C ATOM 490 CG1 VAL A 33 -3.640 2.124 -2.415 1.00 0.00 C ATOM 491 CG2 VAL A 33 -2.084 0.200 -2.304 1.00 0.00 C ATOM 0 H VAL A 33 -0.320 0.973 -4.291 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.155 0.703 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.508 2.256 -2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.584 2.224 -1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.829 3.101 -2.860 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.451 1.443 -2.676 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.050 0.307 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.897 -0.473 -2.577 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.138 -0.211 -2.658 1.00 0.00 H new ATOM 501 N GLU A 34 -1.729 3.552 -5.518 1.00 0.00 N ATOM 502 CA GLU A 34 -1.987 4.755 -6.299 1.00 0.00 C ATOM 503 C GLU A 34 -2.221 4.428 -7.777 1.00 0.00 C ATOM 504 O GLU A 34 -2.426 5.332 -8.585 1.00 0.00 O ATOM 505 CB GLU A 34 -0.854 5.767 -6.119 1.00 0.00 C ATOM 506 CG GLU A 34 0.421 5.360 -6.861 1.00 0.00 C ATOM 507 CD GLU A 34 1.543 6.367 -6.611 1.00 0.00 C ATOM 508 OE1 GLU A 34 1.955 6.509 -5.437 1.00 0.00 O ATOM 509 OE2 GLU A 34 1.986 6.993 -7.600 1.00 0.00 O ATOM 0 H GLU A 34 -0.751 3.409 -5.265 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.905 5.208 -5.925 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.183 6.743 -6.477 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.633 5.875 -5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.736 4.369 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.219 5.293 -7.930 1.00 0.00 H new ATOM 516 N ALA A 35 -2.192 3.138 -8.132 1.00 0.00 N ATOM 517 CA ALA A 35 -2.416 2.682 -9.497 1.00 0.00 C ATOM 518 C ALA A 35 -3.678 1.823 -9.599 1.00 0.00 C ATOM 519 O ALA A 35 -4.120 1.503 -10.701 1.00 0.00 O ATOM 520 CB ALA A 35 -1.185 1.901 -9.952 1.00 0.00 C ATOM 0 H ALA A 35 -2.011 2.382 -7.472 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.569 3.544 -10.147 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.333 1.551 -10.973 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.309 2.548 -9.914 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.033 1.046 -9.294 1.00 0.00 H new ATOM 526 N ILE A 36 -4.260 1.448 -8.454 1.00 0.00 N ATOM 527 CA ILE A 36 -5.466 0.631 -8.399 1.00 0.00 C ATOM 528 C ILE A 36 -6.683 1.497 -8.068 1.00 0.00 C ATOM 529 O ILE A 36 -7.808 1.115 -8.378 1.00 0.00 O ATOM 530 CB ILE A 36 -5.243 -0.488 -7.375 1.00 0.00 C ATOM 531 CG1 ILE A 36 -4.166 -1.450 -7.898 1.00 0.00 C ATOM 532 CG2 ILE A 36 -6.524 -1.283 -7.110 1.00 0.00 C ATOM 533 CD1 ILE A 36 -3.560 -2.262 -6.756 1.00 0.00 C ATOM 0 H ILE A 36 -3.900 1.708 -7.536 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.669 0.177 -9.369 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.929 -0.023 -6.441 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.601 -2.123 -8.637 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.383 -0.885 -8.404 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -6.322 -2.066 -6.379 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.293 -0.615 -6.723 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -6.870 -1.735 -8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.800 -2.936 -7.152 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.105 -1.587 -6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.342 -2.844 -6.268 1.00 0.00 H new ATOM 545 N PHE A 37 -6.471 2.659 -7.445 1.00 0.00 N ATOM 546 CA PHE A 37 -7.556 3.549 -7.060 1.00 0.00 C ATOM 547 C PHE A 37 -7.566 4.828 -7.902 1.00 0.00 C ATOM 548 O PHE A 37 -8.505 5.614 -7.824 1.00 0.00 O ATOM 549 CB PHE A 37 -7.453 3.829 -5.559 1.00 0.00 C ATOM 550 CG PHE A 37 -7.819 2.630 -4.711 1.00 0.00 C ATOM 551 CD1 PHE A 37 -6.963 1.520 -4.654 1.00 0.00 C ATOM 552 CD2 PHE A 37 -9.021 2.627 -3.986 1.00 0.00 C ATOM 553 CE1 PHE A 37 -7.317 0.400 -3.890 1.00 0.00 C ATOM 554 CE2 PHE A 37 -9.375 1.504 -3.225 1.00 0.00 C ATOM 555 CZ PHE A 37 -8.523 0.388 -3.177 1.00 0.00 C ATOM 0 H PHE A 37 -5.544 3.004 -7.196 1.00 0.00 H new ATOM 0 HA PHE A 37 -8.513 3.066 -7.257 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.436 4.139 -5.321 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.108 4.662 -5.304 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.031 1.529 -5.199 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -9.672 3.488 -4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -6.659 -0.456 -3.851 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -10.304 1.497 -2.675 1.00 0.00 H new ATOM 0 HZ PHE A 37 -8.797 -0.477 -2.592 1.00 0.00 H new ATOM 565 N SER A 38 -6.529 5.049 -8.715 1.00 0.00 N ATOM 566 CA SER A 38 -6.464 6.238 -9.558 1.00 0.00 C ATOM 567 C SER A 38 -7.363 6.108 -10.792 1.00 0.00 C ATOM 568 O SER A 38 -7.481 7.055 -11.571 1.00 0.00 O ATOM 569 CB SER A 38 -5.012 6.516 -9.940 1.00 0.00 C ATOM 570 OG SER A 38 -4.911 7.738 -10.645 1.00 0.00 O ATOM 0 H SER A 38 -5.729 4.422 -8.805 1.00 0.00 H new ATOM 0 HA SER A 38 -6.843 7.089 -8.992 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.395 6.555 -9.043 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.629 5.702 -10.555 1.00 0.00 H new ATOM 0 HG SER A 38 -5.714 7.868 -11.191 1.00 0.00 H new ATOM 576 N LYS A 39 -8.006 4.949 -10.976 1.00 0.00 N ATOM 577 CA LYS A 39 -8.934 4.733 -12.081 1.00 0.00 C ATOM 578 C LYS A 39 -10.370 5.069 -11.688 1.00 0.00 C ATOM 579 O LYS A 39 -11.268 5.004 -12.526 1.00 0.00 O ATOM 580 CB LYS A 39 -8.821 3.304 -12.612 1.00 0.00 C ATOM 581 CG LYS A 39 -9.291 2.275 -11.581 1.00 0.00 C ATOM 582 CD LYS A 39 -9.428 0.914 -12.264 1.00 0.00 C ATOM 583 CE LYS A 39 -9.967 -0.133 -11.292 1.00 0.00 C ATOM 584 NZ LYS A 39 -8.974 -0.471 -10.257 1.00 0.00 N ATOM 0 H LYS A 39 -7.895 4.141 -10.364 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.656 5.415 -12.884 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -9.415 3.206 -13.520 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.786 3.098 -12.885 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.578 2.214 -10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.246 2.580 -11.153 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.096 0.999 -13.121 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.458 0.596 -12.646 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.874 0.242 -10.818 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.242 -1.033 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.359 -1.209 -9.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.105 -0.819 -10.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.756 0.377 -9.695 1.00 0.00 H new ATOM 598 N TYR A 40 -10.587 5.423 -10.418 1.00 0.00 N ATOM 599 CA TYR A 40 -11.905 5.757 -9.893 1.00 0.00 C ATOM 600 C TYR A 40 -11.957 7.205 -9.399 1.00 0.00 C ATOM 601 O TYR A 40 -13.019 7.674 -8.994 1.00 0.00 O ATOM 602 CB TYR A 40 -12.260 4.772 -8.776 1.00 0.00 C ATOM 603 CG TYR A 40 -12.974 3.528 -9.250 1.00 0.00 C ATOM 604 CD1 TYR A 40 -14.291 3.620 -9.720 1.00 0.00 C ATOM 605 CD2 TYR A 40 -12.330 2.281 -9.206 1.00 0.00 C ATOM 606 CE1 TYR A 40 -14.974 2.475 -10.143 1.00 0.00 C ATOM 607 CE2 TYR A 40 -13.012 1.130 -9.627 1.00 0.00 C ATOM 608 CZ TYR A 40 -14.334 1.221 -10.103 1.00 0.00 C ATOM 609 OH TYR A 40 -14.990 0.104 -10.524 1.00 0.00 O ATOM 0 H TYR A 40 -9.843 5.485 -9.723 1.00 0.00 H new ATOM 0 HA TYR A 40 -12.642 5.672 -10.692 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -11.345 4.478 -8.262 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -12.888 5.281 -8.044 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -14.782 4.581 -9.756 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -11.313 2.208 -8.849 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -15.990 2.552 -10.500 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -12.521 0.169 -9.586 1.00 0.00 H new ATOM 0 HH TYR A 40 -14.403 -0.675 -10.430 1.00 0.00 H new ATOM 619 N GLY A 41 -10.829 7.916 -9.429 1.00 0.00 N ATOM 620 CA GLY A 41 -10.792 9.303 -9.008 1.00 0.00 C ATOM 621 C GLY A 41 -9.372 9.856 -8.975 1.00 0.00 C ATOM 622 O GLY A 41 -8.403 9.108 -9.108 1.00 0.00 O ATOM 0 H GLY A 41 -9.931 7.547 -9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.398 9.903 -9.686 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -11.238 9.393 -8.018 1.00 0.00 H new ATOM 626 N LYS A 42 -9.249 11.176 -8.795 1.00 0.00 N ATOM 627 CA LYS A 42 -7.958 11.836 -8.703 1.00 0.00 C ATOM 628 C LYS A 42 -7.424 11.702 -7.284 1.00 0.00 C ATOM 629 O LYS A 42 -8.010 12.241 -6.346 1.00 0.00 O ATOM 630 CB LYS A 42 -8.101 13.311 -9.098 1.00 0.00 C ATOM 631 CG LYS A 42 -6.846 14.120 -8.749 1.00 0.00 C ATOM 632 CD LYS A 42 -5.586 13.586 -9.430 1.00 0.00 C ATOM 633 CE LYS A 42 -4.373 14.313 -8.845 1.00 0.00 C ATOM 634 NZ LYS A 42 -3.125 13.875 -9.497 1.00 0.00 N ATOM 0 H LYS A 42 -10.045 11.809 -8.710 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.252 11.366 -9.388 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -8.294 13.383 -10.168 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -8.964 13.741 -8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.997 15.160 -9.040 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.702 14.109 -7.669 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.496 12.511 -9.272 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.641 13.746 -10.507 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.494 15.389 -8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.313 14.123 -7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -2.319 14.384 -9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.000 12.852 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -3.175 14.079 -10.515 1.00 0.00 H new ATOM 648 N ILE A 43 -6.312 10.986 -7.125 1.00 0.00 N ATOM 649 CA ILE A 43 -5.662 10.844 -5.835 1.00 0.00 C ATOM 650 C ILE A 43 -4.732 12.034 -5.623 1.00 0.00 C ATOM 651 O ILE A 43 -3.884 12.320 -6.468 1.00 0.00 O ATOM 652 CB ILE A 43 -4.904 9.510 -5.779 1.00 0.00 C ATOM 653 CG1 ILE A 43 -5.893 8.348 -5.938 1.00 0.00 C ATOM 654 CG2 ILE A 43 -4.150 9.402 -4.453 1.00 0.00 C ATOM 655 CD1 ILE A 43 -5.224 6.978 -5.844 1.00 0.00 C ATOM 0 H ILE A 43 -5.843 10.493 -7.885 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.400 10.834 -5.033 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.181 9.464 -6.593 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.662 8.424 -5.169 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.396 8.435 -6.901 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.613 8.454 -4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.440 10.225 -4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.859 9.450 -3.626 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.975 6.197 -5.964 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.474 6.884 -6.630 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.744 6.873 -4.871 1.00 0.00 H new ATOM 667 N VAL A 44 -4.891 12.725 -4.495 1.00 0.00 N ATOM 668 CA VAL A 44 -4.049 13.862 -4.135 1.00 0.00 C ATOM 669 C VAL A 44 -3.234 13.553 -2.886 1.00 0.00 C ATOM 670 O VAL A 44 -2.491 14.400 -2.401 1.00 0.00 O ATOM 671 CB VAL A 44 -4.882 15.138 -3.977 1.00 0.00 C ATOM 672 CG1 VAL A 44 -5.313 15.612 -5.362 1.00 0.00 C ATOM 673 CG2 VAL A 44 -6.125 14.897 -3.118 1.00 0.00 C ATOM 0 H VAL A 44 -5.610 12.510 -3.804 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.345 14.041 -4.948 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.271 15.891 -3.479 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.908 16.521 -5.267 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.430 15.818 -5.967 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.910 14.837 -5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -6.691 15.824 -3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.749 14.135 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.822 14.559 -2.127 1.00 0.00 H new ATOM 683 N GLY A 45 -3.374 12.332 -2.369 1.00 0.00 N ATOM 684 CA GLY A 45 -2.570 11.836 -1.269 1.00 0.00 C ATOM 685 C GLY A 45 -2.831 10.344 -1.107 1.00 0.00 C ATOM 686 O GLY A 45 -3.960 9.896 -1.290 1.00 0.00 O ATOM 0 H GLY A 45 -4.059 11.658 -2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.513 12.016 -1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.820 12.365 -0.350 1.00 0.00 H new ATOM 690 N CYS A 46 -1.808 9.558 -0.771 1.00 0.00 N ATOM 691 CA CYS A 46 -1.978 8.124 -0.588 1.00 0.00 C ATOM 692 C CYS A 46 -0.848 7.566 0.270 1.00 0.00 C ATOM 693 O CYS A 46 0.248 8.123 0.305 1.00 0.00 O ATOM 694 CB CYS A 46 -2.020 7.428 -1.949 1.00 0.00 C ATOM 695 SG CYS A 46 -0.592 7.932 -2.940 1.00 0.00 S ATOM 0 H CYS A 46 -0.856 9.893 -0.621 1.00 0.00 H new ATOM 0 HA CYS A 46 -2.921 7.938 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.017 6.346 -1.815 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -2.943 7.682 -2.469 1.00 0.00 H new ATOM 0 HG CYS A 46 -0.905 7.898 -4.201 1.00 0.00 H new ATOM 701 N SER A 47 -1.122 6.460 0.962 1.00 0.00 N ATOM 702 CA SER A 47 -0.145 5.795 1.811 1.00 0.00 C ATOM 703 C SER A 47 -0.536 4.333 1.995 1.00 0.00 C ATOM 704 O SER A 47 -1.688 3.957 1.787 1.00 0.00 O ATOM 705 CB SER A 47 -0.072 6.509 3.159 1.00 0.00 C ATOM 706 OG SER A 47 0.948 5.932 3.944 1.00 0.00 O ATOM 0 H SER A 47 -2.033 6.002 0.946 1.00 0.00 H new ATOM 0 HA SER A 47 0.838 5.834 1.342 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.126 7.570 3.010 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.029 6.433 3.675 1.00 0.00 H new ATOM 0 HG SER A 47 0.995 6.392 4.808 1.00 0.00 H new ATOM 712 N VAL A 48 0.423 3.498 2.388 1.00 0.00 N ATOM 713 CA VAL A 48 0.196 2.075 2.585 1.00 0.00 C ATOM 714 C VAL A 48 0.888 1.629 3.866 1.00 0.00 C ATOM 715 O VAL A 48 1.939 2.157 4.228 1.00 0.00 O ATOM 716 CB VAL A 48 0.700 1.289 1.371 1.00 0.00 C ATOM 717 CG1 VAL A 48 0.495 -0.217 1.554 1.00 0.00 C ATOM 718 CG2 VAL A 48 -0.036 1.728 0.109 1.00 0.00 C ATOM 0 H VAL A 48 1.381 3.793 2.578 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.872 1.879 2.684 1.00 0.00 H new ATOM 0 HB VAL A 48 1.766 1.495 1.275 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.864 -0.744 0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.042 -0.554 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.567 -0.427 1.684 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.334 1.160 -0.744 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.104 1.548 0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.135 2.791 -0.061 1.00 0.00 H new ATOM 728 N HIS A 49 0.288 0.652 4.546 1.00 0.00 N ATOM 729 CA HIS A 49 0.755 0.170 5.833 1.00 0.00 C ATOM 730 C HIS A 49 0.617 -1.346 5.880 1.00 0.00 C ATOM 731 O HIS A 49 0.220 -1.962 4.892 1.00 0.00 O ATOM 732 CB HIS A 49 -0.088 0.826 6.931 1.00 0.00 C ATOM 733 CG HIS A 49 -0.293 2.303 6.720 1.00 0.00 C ATOM 734 ND1 HIS A 49 0.494 3.322 7.256 1.00 0.00 N ATOM 735 CD2 HIS A 49 -1.288 2.855 5.963 1.00 0.00 C ATOM 736 CE1 HIS A 49 -0.049 4.464 6.805 1.00 0.00 C ATOM 737 NE2 HIS A 49 -1.119 4.218 6.031 1.00 0.00 N ATOM 0 H HIS A 49 -0.546 0.171 4.209 1.00 0.00 H new ATOM 0 HA HIS A 49 1.804 0.426 5.984 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.060 0.334 6.977 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.395 0.667 7.895 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -2.056 2.325 5.419 1.00 0.00 H new ATOM 0 HE1 HIS A 49 0.325 5.451 7.034 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -1.703 4.919 5.574 1.00 0.00 H new ATOM 745 N LYS A 50 0.937 -1.961 7.022 1.00 0.00 N ATOM 746 CA LYS A 50 0.725 -3.391 7.197 1.00 0.00 C ATOM 747 C LYS A 50 -0.735 -3.652 7.563 1.00 0.00 C ATOM 748 O LYS A 50 -1.271 -3.025 8.475 1.00 0.00 O ATOM 749 CB LYS A 50 1.690 -3.929 8.256 1.00 0.00 C ATOM 750 CG LYS A 50 3.063 -4.202 7.637 1.00 0.00 C ATOM 751 CD LYS A 50 4.079 -4.521 8.733 1.00 0.00 C ATOM 752 CE LYS A 50 5.279 -5.280 8.159 1.00 0.00 C ATOM 753 NZ LYS A 50 6.324 -5.454 9.185 1.00 0.00 N ATOM 0 H LYS A 50 1.341 -1.490 7.832 1.00 0.00 H new ATOM 0 HA LYS A 50 0.931 -3.919 6.266 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.787 -3.209 9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.290 -4.846 8.689 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.996 -5.036 6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.392 -3.334 7.066 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.418 -3.597 9.201 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.605 -5.118 9.512 1.00 0.00 H new ATOM 0 HE2 LYS A 50 4.957 -6.254 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.686 -4.736 7.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.129 -5.971 8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.643 -4.522 9.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 5.938 -5.993 9.986 1.00 0.00 H new ATOM 767 N GLY A 51 -1.371 -4.582 6.847 1.00 0.00 N ATOM 768 CA GLY A 51 -2.759 -4.970 7.059 1.00 0.00 C ATOM 769 C GLY A 51 -3.776 -3.991 6.466 1.00 0.00 C ATOM 770 O GLY A 51 -4.936 -4.365 6.290 1.00 0.00 O ATOM 0 H GLY A 51 -0.922 -5.095 6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.921 -5.955 6.622 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.940 -5.062 8.130 1.00 0.00 H new ATOM 774 N PHE A 52 -3.380 -2.754 6.150 1.00 0.00 N ATOM 775 CA PHE A 52 -4.301 -1.767 5.593 1.00 0.00 C ATOM 776 C PHE A 52 -3.566 -0.717 4.758 1.00 0.00 C ATOM 777 O PHE A 52 -2.337 -0.655 4.765 1.00 0.00 O ATOM 778 CB PHE A 52 -5.069 -1.074 6.723 1.00 0.00 C ATOM 779 CG PHE A 52 -4.187 -0.307 7.677 1.00 0.00 C ATOM 780 CD1 PHE A 52 -3.597 -0.965 8.767 1.00 0.00 C ATOM 781 CD2 PHE A 52 -3.953 1.061 7.474 1.00 0.00 C ATOM 782 CE1 PHE A 52 -2.765 -0.258 9.646 1.00 0.00 C ATOM 783 CE2 PHE A 52 -3.121 1.764 8.349 1.00 0.00 C ATOM 784 CZ PHE A 52 -2.523 1.105 9.435 1.00 0.00 C ATOM 0 H PHE A 52 -2.426 -2.415 6.272 1.00 0.00 H new ATOM 0 HA PHE A 52 -4.996 -2.295 4.940 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -5.799 -0.391 6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -5.628 -1.824 7.283 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.784 -2.016 8.929 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.416 1.571 6.642 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -2.311 -0.764 10.485 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.938 2.816 8.190 1.00 0.00 H new ATOM 0 HZ PHE A 52 -1.876 1.649 10.108 1.00 0.00 H new ATOM 794 N ALA A 53 -4.326 0.112 4.039 1.00 0.00 N ATOM 795 CA ALA A 53 -3.790 1.202 3.240 1.00 0.00 C ATOM 796 C ALA A 53 -4.781 2.365 3.199 1.00 0.00 C ATOM 797 O ALA A 53 -5.928 2.218 3.622 1.00 0.00 O ATOM 798 CB ALA A 53 -3.488 0.688 1.833 1.00 0.00 C ATOM 0 H ALA A 53 -5.343 0.039 3.999 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.867 1.568 3.689 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -3.086 1.500 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -2.757 -0.119 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.405 0.316 1.377 1.00 0.00 H new ATOM 804 N PHE A 54 -4.344 3.520 2.689 1.00 0.00 N ATOM 805 CA PHE A 54 -5.178 4.712 2.625 1.00 0.00 C ATOM 806 C PHE A 54 -5.014 5.457 1.301 1.00 0.00 C ATOM 807 O PHE A 54 -3.933 5.486 0.718 1.00 0.00 O ATOM 808 CB PHE A 54 -4.849 5.650 3.788 1.00 0.00 C ATOM 809 CG PHE A 54 -5.689 5.400 5.017 1.00 0.00 C ATOM 810 CD1 PHE A 54 -7.029 5.813 5.019 1.00 0.00 C ATOM 811 CD2 PHE A 54 -5.147 4.765 6.143 1.00 0.00 C ATOM 812 CE1 PHE A 54 -7.832 5.583 6.143 1.00 0.00 C ATOM 813 CE2 PHE A 54 -5.951 4.535 7.267 1.00 0.00 C ATOM 814 CZ PHE A 54 -7.292 4.943 7.264 1.00 0.00 C ATOM 0 H PHE A 54 -3.405 3.650 2.312 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.215 4.385 2.697 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -3.796 5.539 4.048 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -4.990 6.681 3.464 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -7.442 6.309 4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.113 4.454 6.144 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.865 5.899 6.145 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.538 4.044 8.135 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.911 4.763 8.130 1.00 0.00 H new ATOM 824 N VAL A 55 -6.110 6.063 0.837 1.00 0.00 N ATOM 825 CA VAL A 55 -6.133 6.869 -0.378 1.00 0.00 C ATOM 826 C VAL A 55 -7.028 8.082 -0.158 1.00 0.00 C ATOM 827 O VAL A 55 -8.198 7.934 0.190 1.00 0.00 O ATOM 828 CB VAL A 55 -6.650 6.037 -1.560 1.00 0.00 C ATOM 829 CG1 VAL A 55 -6.770 6.920 -2.802 1.00 0.00 C ATOM 830 CG2 VAL A 55 -5.703 4.879 -1.865 1.00 0.00 C ATOM 0 H VAL A 55 -7.015 6.005 1.303 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.121 7.201 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.627 5.635 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.137 6.324 -3.638 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.466 7.735 -2.603 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.792 7.331 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.090 4.304 -2.706 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.718 5.271 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.624 4.234 -0.990 1.00 0.00 H new ATOM 840 N GLN A 56 -6.482 9.277 -0.368 1.00 0.00 N ATOM 841 CA GLN A 56 -7.191 10.532 -0.196 1.00 0.00 C ATOM 842 C GLN A 56 -7.515 11.108 -1.579 1.00 0.00 C ATOM 843 O GLN A 56 -6.604 11.375 -2.365 1.00 0.00 O ATOM 844 CB GLN A 56 -6.301 11.480 0.615 1.00 0.00 C ATOM 845 CG GLN A 56 -6.909 12.872 0.796 1.00 0.00 C ATOM 846 CD GLN A 56 -8.106 12.837 1.732 1.00 0.00 C ATOM 847 OE1 GLN A 56 -7.946 12.841 2.948 1.00 0.00 O ATOM 848 NE2 GLN A 56 -9.313 12.800 1.181 1.00 0.00 N ATOM 0 H GLN A 56 -5.515 9.397 -0.668 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.129 10.390 0.341 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -6.114 11.042 1.596 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.335 11.574 0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.155 13.551 1.193 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.215 13.266 -0.173 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -9.410 12.798 0.166 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -10.143 12.774 1.773 1.00 0.00 H new ATOM 857 N TYR A 57 -8.798 11.302 -1.881 1.00 0.00 N ATOM 858 CA TYR A 57 -9.232 11.889 -3.144 1.00 0.00 C ATOM 859 C TYR A 57 -9.445 13.395 -2.994 1.00 0.00 C ATOM 860 O TYR A 57 -9.133 13.973 -1.955 1.00 0.00 O ATOM 861 CB TYR A 57 -10.521 11.214 -3.614 1.00 0.00 C ATOM 862 CG TYR A 57 -10.369 9.787 -4.084 1.00 0.00 C ATOM 863 CD1 TYR A 57 -9.445 9.476 -5.091 1.00 0.00 C ATOM 864 CD2 TYR A 57 -11.176 8.784 -3.534 1.00 0.00 C ATOM 865 CE1 TYR A 57 -9.354 8.169 -5.583 1.00 0.00 C ATOM 866 CE2 TYR A 57 -11.102 7.477 -4.033 1.00 0.00 C ATOM 867 CZ TYR A 57 -10.191 7.166 -5.058 1.00 0.00 C ATOM 868 OH TYR A 57 -10.125 5.896 -5.536 1.00 0.00 O ATOM 0 H TYR A 57 -9.565 11.056 -1.255 1.00 0.00 H new ATOM 0 HA TYR A 57 -8.454 11.728 -3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.241 11.235 -2.796 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.945 11.804 -4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -8.802 10.247 -5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -11.854 9.017 -2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -8.645 7.931 -6.362 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -11.745 6.708 -3.630 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.574 5.880 -6.346 1.00 0.00 H new ATOM 878 N VAL A 58 -9.976 14.029 -4.046 1.00 0.00 N ATOM 879 CA VAL A 58 -10.244 15.462 -4.060 1.00 0.00 C ATOM 880 C VAL A 58 -11.627 15.775 -3.484 1.00 0.00 C ATOM 881 O VAL A 58 -11.837 16.856 -2.937 1.00 0.00 O ATOM 882 CB VAL A 58 -10.140 15.974 -5.504 1.00 0.00 C ATOM 883 CG1 VAL A 58 -10.439 17.471 -5.591 1.00 0.00 C ATOM 884 CG2 VAL A 58 -8.727 15.752 -6.040 1.00 0.00 C ATOM 0 H VAL A 58 -10.231 13.556 -4.913 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.507 15.965 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 58 -10.872 15.421 -6.093 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -10.356 17.799 -6.627 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.450 17.662 -5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -9.725 18.021 -4.978 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.665 16.119 -7.065 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.013 16.291 -5.418 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -8.494 14.687 -6.021 1.00 0.00 H new ATOM 894 N ASN A 59 -12.574 14.839 -3.601 1.00 0.00 N ATOM 895 CA ASN A 59 -13.945 15.034 -3.140 1.00 0.00 C ATOM 896 C ASN A 59 -14.580 13.715 -2.700 1.00 0.00 C ATOM 897 O ASN A 59 -13.998 12.645 -2.865 1.00 0.00 O ATOM 898 CB ASN A 59 -14.768 15.681 -4.255 1.00 0.00 C ATOM 899 CG ASN A 59 -14.792 14.814 -5.498 1.00 0.00 C ATOM 900 OD1 ASN A 59 -15.260 13.680 -5.467 1.00 0.00 O ATOM 901 ND2 ASN A 59 -14.289 15.337 -6.608 1.00 0.00 N ATOM 0 H ASN A 59 -12.407 13.924 -4.020 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.929 15.692 -2.271 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -15.787 15.849 -3.907 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -14.350 16.658 -4.499 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -14.283 14.793 -7.471 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -13.908 16.283 -6.599 1.00 0.00 H new ATOM 908 N GLU A 60 -15.789 13.803 -2.138 1.00 0.00 N ATOM 909 CA GLU A 60 -16.511 12.648 -1.619 1.00 0.00 C ATOM 910 C GLU A 60 -16.958 11.723 -2.748 1.00 0.00 C ATOM 911 O GLU A 60 -16.947 10.505 -2.592 1.00 0.00 O ATOM 912 CB GLU A 60 -17.716 13.147 -0.815 1.00 0.00 C ATOM 913 CG GLU A 60 -18.723 12.022 -0.562 1.00 0.00 C ATOM 914 CD GLU A 60 -19.803 12.438 0.433 1.00 0.00 C ATOM 915 OE1 GLU A 60 -20.311 13.576 0.305 1.00 0.00 O ATOM 916 OE2 GLU A 60 -20.112 11.612 1.320 1.00 0.00 O ATOM 0 H GLU A 60 -16.293 14.683 -2.032 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.851 12.069 -0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.376 13.554 0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -18.204 13.960 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -19.189 11.733 -1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.199 11.144 -0.183 1.00 0.00 H new ATOM 923 N ARG A 61 -17.349 12.302 -3.884 1.00 0.00 N ATOM 924 CA ARG A 61 -17.840 11.559 -5.033 1.00 0.00 C ATOM 925 C ARG A 61 -16.792 10.547 -5.498 1.00 0.00 C ATOM 926 O ARG A 61 -17.134 9.426 -5.870 1.00 0.00 O ATOM 927 CB ARG A 61 -18.201 12.607 -6.094 1.00 0.00 C ATOM 928 CG ARG A 61 -17.897 12.203 -7.534 1.00 0.00 C ATOM 929 CD ARG A 61 -18.800 11.062 -7.995 1.00 0.00 C ATOM 930 NE ARG A 61 -20.202 11.489 -8.089 1.00 0.00 N ATOM 931 CZ ARG A 61 -20.743 12.074 -9.163 1.00 0.00 C ATOM 932 NH1 ARG A 61 -20.013 12.316 -10.250 1.00 0.00 N ATOM 933 NH2 ARG A 61 -22.026 12.424 -9.154 1.00 0.00 N ATOM 0 H ARG A 61 -17.331 13.312 -4.028 1.00 0.00 H new ATOM 0 HA ARG A 61 -18.723 10.962 -4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.265 12.832 -6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.663 13.528 -5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.031 13.063 -8.191 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -16.853 11.899 -7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -18.463 10.700 -8.966 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -18.719 10.228 -7.298 1.00 0.00 H new ATOM 0 HE ARG A 61 -20.803 11.329 -7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.027 12.054 -10.271 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -20.439 12.763 -11.062 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -22.597 12.246 -8.328 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -22.439 12.870 -9.973 1.00 0.00 H new ATOM 947 N ASN A 62 -15.517 10.934 -5.476 1.00 0.00 N ATOM 948 CA ASN A 62 -14.425 10.060 -5.886 1.00 0.00 C ATOM 949 C ASN A 62 -14.263 8.907 -4.890 1.00 0.00 C ATOM 950 O ASN A 62 -13.906 7.792 -5.280 1.00 0.00 O ATOM 951 CB ASN A 62 -13.146 10.892 -5.972 1.00 0.00 C ATOM 952 CG ASN A 62 -13.042 11.680 -7.275 1.00 0.00 C ATOM 953 OD1 ASN A 62 -12.007 11.656 -7.933 1.00 0.00 O ATOM 954 ND2 ASN A 62 -14.098 12.384 -7.666 1.00 0.00 N ATOM 0 H ASN A 62 -15.215 11.860 -5.174 1.00 0.00 H new ATOM 0 HA ASN A 62 -14.641 9.624 -6.861 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.110 11.584 -5.130 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.282 10.233 -5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -14.060 12.922 -8.532 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.947 12.387 -7.100 1.00 0.00 H new ATOM 961 N ALA A 63 -14.522 9.157 -3.602 1.00 0.00 N ATOM 962 CA ALA A 63 -14.392 8.117 -2.595 1.00 0.00 C ATOM 963 C ALA A 63 -15.503 7.089 -2.741 1.00 0.00 C ATOM 964 O ALA A 63 -15.244 5.894 -2.637 1.00 0.00 O ATOM 965 CB ALA A 63 -14.407 8.737 -1.202 1.00 0.00 C ATOM 0 H ALA A 63 -14.820 10.064 -3.242 1.00 0.00 H new ATOM 0 HA ALA A 63 -13.440 7.605 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -14.309 7.951 -0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -13.576 9.436 -1.106 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.347 9.268 -1.050 1.00 0.00 H new ATOM 971 N ARG A 64 -16.741 7.535 -2.989 1.00 0.00 N ATOM 972 CA ARG A 64 -17.854 6.612 -3.168 1.00 0.00 C ATOM 973 C ARG A 64 -17.625 5.769 -4.418 1.00 0.00 C ATOM 974 O ARG A 64 -18.150 4.661 -4.516 1.00 0.00 O ATOM 975 CB ARG A 64 -19.160 7.397 -3.341 1.00 0.00 C ATOM 976 CG ARG A 64 -19.483 8.333 -2.172 1.00 0.00 C ATOM 977 CD ARG A 64 -19.816 7.569 -0.895 1.00 0.00 C ATOM 978 NE ARG A 64 -20.110 8.515 0.189 1.00 0.00 N ATOM 979 CZ ARG A 64 -20.465 8.169 1.426 1.00 0.00 C ATOM 980 NH1 ARG A 64 -20.602 6.891 1.770 1.00 0.00 N ATOM 981 NH2 ARG A 64 -20.690 9.116 2.330 1.00 0.00 N ATOM 0 H ARG A 64 -16.990 8.521 -3.069 1.00 0.00 H new ATOM 0 HA ARG A 64 -17.922 5.969 -2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -19.101 7.984 -4.258 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -19.982 6.692 -3.467 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -18.632 8.989 -1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -20.325 8.970 -2.442 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -20.673 6.917 -1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -18.979 6.929 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 64 -20.037 9.511 -0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -20.435 6.157 1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -20.874 6.645 2.722 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -20.591 10.099 2.075 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -20.962 8.861 3.279 1.00 0.00 H new ATOM 995 N ALA A 65 -16.843 6.286 -5.371 1.00 0.00 N ATOM 996 CA ALA A 65 -16.582 5.596 -6.621 1.00 0.00 C ATOM 997 C ALA A 65 -15.703 4.368 -6.396 1.00 0.00 C ATOM 998 O ALA A 65 -15.965 3.318 -6.977 1.00 0.00 O ATOM 999 CB ALA A 65 -15.902 6.563 -7.588 1.00 0.00 C ATOM 0 H ALA A 65 -16.379 7.191 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 65 -17.527 5.254 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.702 6.054 -8.531 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -16.555 7.417 -7.768 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.963 6.909 -7.156 1.00 0.00 H new ATOM 1005 N ALA A 66 -14.663 4.485 -5.563 1.00 0.00 N ATOM 1006 CA ALA A 66 -13.785 3.350 -5.310 1.00 0.00 C ATOM 1007 C ALA A 66 -14.250 2.518 -4.117 1.00 0.00 C ATOM 1008 O ALA A 66 -13.976 1.320 -4.061 1.00 0.00 O ATOM 1009 CB ALA A 66 -12.364 3.865 -5.100 1.00 0.00 C ATOM 0 H ALA A 66 -14.416 5.339 -5.064 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.813 2.687 -6.175 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.697 3.024 -4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.034 4.396 -5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.345 4.544 -4.247 1.00 0.00 H new ATOM 1015 N VAL A 67 -14.956 3.136 -3.165 1.00 0.00 N ATOM 1016 CA VAL A 67 -15.495 2.426 -2.012 1.00 0.00 C ATOM 1017 C VAL A 67 -16.635 1.502 -2.441 1.00 0.00 C ATOM 1018 O VAL A 67 -16.943 0.539 -1.744 1.00 0.00 O ATOM 1019 CB VAL A 67 -15.929 3.437 -0.941 1.00 0.00 C ATOM 1020 CG1 VAL A 67 -16.838 2.790 0.101 1.00 0.00 C ATOM 1021 CG2 VAL A 67 -14.685 3.982 -0.244 1.00 0.00 C ATOM 0 H VAL A 67 -15.166 4.134 -3.175 1.00 0.00 H new ATOM 0 HA VAL A 67 -14.724 1.792 -1.574 1.00 0.00 H new ATOM 0 HB VAL A 67 -16.484 4.238 -1.429 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -17.127 3.533 0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -17.731 2.400 -0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -16.307 1.974 0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -14.981 4.702 0.519 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.141 3.161 0.223 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.044 4.473 -0.976 1.00 0.00 H new ATOM 1031 N ALA A 68 -17.260 1.783 -3.587 1.00 0.00 N ATOM 1032 CA ALA A 68 -18.257 0.892 -4.161 1.00 0.00 C ATOM 1033 C ALA A 68 -17.752 0.209 -5.434 1.00 0.00 C ATOM 1034 O ALA A 68 -18.400 -0.714 -5.929 1.00 0.00 O ATOM 1035 CB ALA A 68 -19.539 1.681 -4.422 1.00 0.00 C ATOM 0 H ALA A 68 -17.088 2.627 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 68 -18.463 0.093 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -20.292 1.020 -4.852 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -19.911 2.092 -3.483 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -19.330 2.495 -5.117 1.00 0.00 H new ATOM 1041 N GLY A 69 -16.609 0.645 -5.974 1.00 0.00 N ATOM 1042 CA GLY A 69 -16.065 0.086 -7.204 1.00 0.00 C ATOM 1043 C GLY A 69 -15.045 -1.032 -6.974 1.00 0.00 C ATOM 1044 O GLY A 69 -14.979 -1.967 -7.767 1.00 0.00 O ATOM 0 H GLY A 69 -16.042 1.391 -5.570 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -16.884 -0.301 -7.810 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.593 0.884 -7.778 1.00 0.00 H new ATOM 1048 N GLU A 70 -14.255 -0.948 -5.898 1.00 0.00 N ATOM 1049 CA GLU A 70 -13.191 -1.914 -5.628 1.00 0.00 C ATOM 1050 C GLU A 70 -13.464 -2.733 -4.368 1.00 0.00 C ATOM 1051 O GLU A 70 -12.791 -3.732 -4.136 1.00 0.00 O ATOM 1052 CB GLU A 70 -11.856 -1.171 -5.495 1.00 0.00 C ATOM 1053 CG GLU A 70 -11.426 -0.506 -6.804 1.00 0.00 C ATOM 1054 CD GLU A 70 -11.029 -1.533 -7.861 1.00 0.00 C ATOM 1055 OE1 GLU A 70 -11.935 -2.048 -8.550 1.00 0.00 O ATOM 1056 OE2 GLU A 70 -9.812 -1.803 -7.978 1.00 0.00 O ATOM 0 H GLU A 70 -14.336 -0.213 -5.196 1.00 0.00 H new ATOM 0 HA GLU A 70 -13.150 -2.613 -6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -11.941 -0.413 -4.716 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.084 -1.871 -5.175 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -12.242 0.109 -7.184 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.586 0.162 -6.613 1.00 0.00 H new ATOM 1063 N ASP A 71 -14.435 -2.338 -3.544 1.00 0.00 N ATOM 1064 CA ASP A 71 -14.697 -3.059 -2.309 1.00 0.00 C ATOM 1065 C ASP A 71 -15.064 -4.514 -2.603 1.00 0.00 C ATOM 1066 O ASP A 71 -15.930 -4.789 -3.434 1.00 0.00 O ATOM 1067 CB ASP A 71 -15.798 -2.354 -1.523 1.00 0.00 C ATOM 1068 CG ASP A 71 -16.212 -3.167 -0.297 1.00 0.00 C ATOM 1069 OD1 ASP A 71 -15.295 -3.656 0.399 1.00 0.00 O ATOM 1070 OD2 ASP A 71 -17.438 -3.290 -0.069 1.00 0.00 O ATOM 0 H ASP A 71 -15.042 -1.535 -3.710 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.793 -3.067 -1.700 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.451 -1.370 -1.209 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -16.663 -2.196 -2.167 1.00 0.00 H new ATOM 1075 N GLY A 72 -14.399 -5.447 -1.914 1.00 0.00 N ATOM 1076 CA GLY A 72 -14.653 -6.868 -2.065 1.00 0.00 C ATOM 1077 C GLY A 72 -13.874 -7.485 -3.226 1.00 0.00 C ATOM 1078 O GLY A 72 -14.168 -8.614 -3.620 1.00 0.00 O ATOM 0 H GLY A 72 -13.669 -5.229 -1.236 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -14.387 -7.381 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.720 -7.028 -2.223 1.00 0.00 H new ATOM 1082 N ARG A 73 -12.888 -6.771 -3.786 1.00 0.00 N ATOM 1083 CA ARG A 73 -12.111 -7.290 -4.905 1.00 0.00 C ATOM 1084 C ARG A 73 -10.879 -8.042 -4.418 1.00 0.00 C ATOM 1085 O ARG A 73 -10.453 -7.870 -3.280 1.00 0.00 O ATOM 1086 CB ARG A 73 -11.738 -6.179 -5.886 1.00 0.00 C ATOM 1087 CG ARG A 73 -10.502 -5.379 -5.458 1.00 0.00 C ATOM 1088 CD ARG A 73 -9.913 -4.647 -6.662 1.00 0.00 C ATOM 1089 NE ARG A 73 -9.225 -5.590 -7.550 1.00 0.00 N ATOM 1090 CZ ARG A 73 -8.563 -5.245 -8.657 1.00 0.00 C ATOM 1091 NH1 ARG A 73 -8.508 -3.974 -9.049 1.00 0.00 N ATOM 1092 NH2 ARG A 73 -7.949 -6.178 -9.377 1.00 0.00 N ATOM 0 H ARG A 73 -12.615 -5.837 -3.480 1.00 0.00 H new ATOM 0 HA ARG A 73 -12.738 -8.001 -5.442 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -11.556 -6.617 -6.868 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -12.583 -5.499 -5.992 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -10.773 -4.662 -4.683 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -9.756 -6.048 -5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -10.706 -4.136 -7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.215 -3.881 -6.324 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.254 -6.580 -7.304 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.975 -3.251 -8.502 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -7.999 -3.723 -9.897 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -7.984 -7.154 -9.083 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -7.442 -5.918 -10.223 1.00 0.00 H new ATOM 1106 N MET A 74 -10.299 -8.871 -5.287 1.00 0.00 N ATOM 1107 CA MET A 74 -9.079 -9.585 -4.959 1.00 0.00 C ATOM 1108 C MET A 74 -7.862 -8.883 -5.549 1.00 0.00 C ATOM 1109 O MET A 74 -7.898 -8.414 -6.688 1.00 0.00 O ATOM 1110 CB MET A 74 -9.177 -11.038 -5.424 1.00 0.00 C ATOM 1111 CG MET A 74 -7.832 -11.740 -5.230 1.00 0.00 C ATOM 1112 SD MET A 74 -7.930 -13.541 -5.131 1.00 0.00 S ATOM 1113 CE MET A 74 -8.686 -13.642 -3.491 1.00 0.00 C ATOM 0 H MET A 74 -10.660 -9.060 -6.222 1.00 0.00 H new ATOM 0 HA MET A 74 -8.954 -9.588 -3.876 1.00 0.00 H new ATOM 0 HB2 MET A 74 -9.952 -11.557 -4.861 1.00 0.00 H new ATOM 0 HB3 MET A 74 -9.467 -11.074 -6.474 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.174 -11.470 -6.056 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.369 -11.364 -4.318 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.202 -14.431 -2.915 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.565 -12.690 -2.975 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.748 -13.867 -3.593 1.00 0.00 H new ATOM 1123 N ILE A 75 -6.790 -8.822 -4.757 1.00 0.00 N ATOM 1124 CA ILE A 75 -5.504 -8.281 -5.156 1.00 0.00 C ATOM 1125 C ILE A 75 -4.422 -9.123 -4.482 1.00 0.00 C ATOM 1126 O ILE A 75 -4.536 -9.446 -3.300 1.00 0.00 O ATOM 1127 CB ILE A 75 -5.384 -6.807 -4.733 1.00 0.00 C ATOM 1128 CG1 ILE A 75 -6.562 -5.984 -5.280 1.00 0.00 C ATOM 1129 CG2 ILE A 75 -4.057 -6.224 -5.221 1.00 0.00 C ATOM 1130 CD1 ILE A 75 -6.555 -4.548 -4.758 1.00 0.00 C ATOM 0 H ILE A 75 -6.800 -9.159 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 75 -5.395 -8.319 -6.240 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.411 -6.759 -3.644 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.520 -5.973 -6.369 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.499 -6.465 -5.002 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.984 -5.180 -4.915 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.231 -6.788 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.009 -6.288 -6.308 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -7.406 -4.006 -5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.624 -4.556 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.630 -4.056 -5.059 1.00 0.00 H new ATOM 1142 N ALA A 76 -3.372 -9.481 -5.227 1.00 0.00 N ATOM 1143 CA ALA A 76 -2.263 -10.289 -4.729 1.00 0.00 C ATOM 1144 C ALA A 76 -2.683 -11.617 -4.077 1.00 0.00 C ATOM 1145 O ALA A 76 -1.876 -12.239 -3.387 1.00 0.00 O ATOM 1146 CB ALA A 76 -1.409 -9.440 -3.791 1.00 0.00 C ATOM 0 H ALA A 76 -3.270 -9.212 -6.206 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.675 -10.595 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.578 -10.037 -3.415 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.020 -8.578 -4.333 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.018 -9.098 -2.954 1.00 0.00 H new ATOM 1152 N GLY A 77 -3.930 -12.066 -4.280 1.00 0.00 N ATOM 1153 CA GLY A 77 -4.396 -13.350 -3.772 1.00 0.00 C ATOM 1154 C GLY A 77 -5.268 -13.229 -2.526 1.00 0.00 C ATOM 1155 O GLY A 77 -5.702 -14.247 -1.991 1.00 0.00 O ATOM 0 H GLY A 77 -4.637 -11.546 -4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.961 -13.858 -4.554 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.534 -13.976 -3.543 1.00 0.00 H new ATOM 1159 N GLN A 78 -5.530 -12.008 -2.056 1.00 0.00 N ATOM 1160 CA GLN A 78 -6.414 -11.774 -0.921 1.00 0.00 C ATOM 1161 C GLN A 78 -7.432 -10.694 -1.264 1.00 0.00 C ATOM 1162 O GLN A 78 -7.198 -9.868 -2.145 1.00 0.00 O ATOM 1163 CB GLN A 78 -5.627 -11.367 0.329 1.00 0.00 C ATOM 1164 CG GLN A 78 -4.802 -12.522 0.903 1.00 0.00 C ATOM 1165 CD GLN A 78 -3.309 -12.282 0.741 1.00 0.00 C ATOM 1166 OE1 GLN A 78 -2.607 -12.016 1.711 1.00 0.00 O ATOM 1167 NE2 GLN A 78 -2.807 -12.370 -0.486 1.00 0.00 N ATOM 0 H GLN A 78 -5.134 -11.156 -2.454 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.933 -12.708 -0.705 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.964 -10.538 0.083 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.320 -11.006 1.089 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.038 -12.648 1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -5.078 -13.450 0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -3.418 -12.593 -1.272 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -1.811 -12.215 -0.642 1.00 0.00 H new ATOM 1176 N VAL A 79 -8.569 -10.698 -0.564 1.00 0.00 N ATOM 1177 CA VAL A 79 -9.599 -9.684 -0.741 1.00 0.00 C ATOM 1178 C VAL A 79 -9.413 -8.593 0.302 1.00 0.00 C ATOM 1179 O VAL A 79 -8.961 -8.850 1.416 1.00 0.00 O ATOM 1180 CB VAL A 79 -10.996 -10.311 -0.664 1.00 0.00 C ATOM 1181 CG1 VAL A 79 -12.101 -9.257 -0.767 1.00 0.00 C ATOM 1182 CG2 VAL A 79 -11.187 -11.303 -1.814 1.00 0.00 C ATOM 0 H VAL A 79 -8.796 -11.403 0.137 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.505 -9.236 -1.730 1.00 0.00 H new ATOM 0 HB VAL A 79 -11.068 -10.811 0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -13.075 -9.744 -0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -12.001 -8.544 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -12.015 -8.731 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -12.182 -11.744 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -11.079 -10.782 -2.765 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.436 -12.090 -1.744 1.00 0.00 H new ATOM 1192 N LEU A 80 -9.765 -7.364 -0.075 1.00 0.00 N ATOM 1193 CA LEU A 80 -9.628 -6.194 0.774 1.00 0.00 C ATOM 1194 C LEU A 80 -10.997 -5.575 1.014 1.00 0.00 C ATOM 1195 O LEU A 80 -11.832 -5.509 0.115 1.00 0.00 O ATOM 1196 CB LEU A 80 -8.606 -5.179 0.224 1.00 0.00 C ATOM 1197 CG LEU A 80 -8.314 -5.171 -1.284 1.00 0.00 C ATOM 1198 CD1 LEU A 80 -7.617 -6.446 -1.763 1.00 0.00 C ATOM 1199 CD2 LEU A 80 -9.582 -4.931 -2.091 1.00 0.00 C ATOM 0 H LEU A 80 -10.158 -7.156 -0.993 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.222 -6.512 1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.949 -4.182 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.662 -5.346 0.743 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.624 -4.344 -1.452 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.437 -6.381 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.666 -6.559 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.250 -7.308 -1.553 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.342 -4.931 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.302 -5.722 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.011 -3.968 -1.816 1.00 0.00 H new ATOM 1211 N ASP A 81 -11.210 -5.120 2.248 1.00 0.00 N ATOM 1212 CA ASP A 81 -12.464 -4.527 2.674 1.00 0.00 C ATOM 1213 C ASP A 81 -12.316 -3.014 2.603 1.00 0.00 C ATOM 1214 O ASP A 81 -11.621 -2.416 3.424 1.00 0.00 O ATOM 1215 CB ASP A 81 -12.780 -5.016 4.087 1.00 0.00 C ATOM 1216 CG ASP A 81 -14.096 -4.444 4.608 1.00 0.00 C ATOM 1217 OD1 ASP A 81 -15.126 -4.641 3.929 1.00 0.00 O ATOM 1218 OD2 ASP A 81 -14.060 -3.810 5.686 1.00 0.00 O ATOM 0 H ASP A 81 -10.505 -5.156 2.984 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.294 -4.819 2.031 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -12.831 -6.105 4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.970 -4.732 4.759 1.00 0.00 H new ATOM 1223 N ILE A 82 -12.967 -2.395 1.619 1.00 0.00 N ATOM 1224 CA ILE A 82 -12.839 -0.969 1.374 1.00 0.00 C ATOM 1225 C ILE A 82 -14.087 -0.247 1.873 1.00 0.00 C ATOM 1226 O ILE A 82 -15.208 -0.732 1.707 1.00 0.00 O ATOM 1227 CB ILE A 82 -12.580 -0.737 -0.112 1.00 0.00 C ATOM 1228 CG1 ILE A 82 -11.295 -1.455 -0.538 1.00 0.00 C ATOM 1229 CG2 ILE A 82 -12.468 0.757 -0.413 1.00 0.00 C ATOM 1230 CD1 ILE A 82 -11.219 -1.569 -2.056 1.00 0.00 C ATOM 0 H ILE A 82 -13.596 -2.872 0.973 1.00 0.00 H new ATOM 0 HA ILE A 82 -11.992 -0.559 1.924 1.00 0.00 H new ATOM 0 HB ILE A 82 -13.420 -1.141 -0.677 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -10.428 -0.910 -0.165 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -11.263 -2.449 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -12.283 0.901 -1.478 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -13.397 1.255 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -11.643 1.183 0.159 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -10.299 -2.082 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -12.076 -2.135 -2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -11.228 -0.572 -2.497 1.00 0.00 H new ATOM 1242 N ASN A 83 -13.889 0.917 2.492 1.00 0.00 N ATOM 1243 CA ASN A 83 -14.973 1.692 3.072 1.00 0.00 C ATOM 1244 C ASN A 83 -14.576 3.165 3.130 1.00 0.00 C ATOM 1245 O ASN A 83 -13.397 3.487 2.992 1.00 0.00 O ATOM 1246 CB ASN A 83 -15.262 1.147 4.475 1.00 0.00 C ATOM 1247 CG ASN A 83 -16.598 1.630 5.018 1.00 0.00 C ATOM 1248 OD1 ASN A 83 -17.626 1.002 4.793 1.00 0.00 O ATOM 1249 ND2 ASN A 83 -16.608 2.750 5.737 1.00 0.00 N ATOM 0 H ASN A 83 -12.970 1.345 2.603 1.00 0.00 H new ATOM 0 HA ASN A 83 -15.872 1.608 2.462 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -15.256 0.057 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -14.465 1.453 5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.486 3.105 6.116 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -15.738 3.253 5.909 1.00 0.00 H new ATOM 1256 N LEU A 84 -15.543 4.062 3.335 1.00 0.00 N ATOM 1257 CA LEU A 84 -15.223 5.463 3.543 1.00 0.00 C ATOM 1258 C LEU A 84 -14.438 5.585 4.850 1.00 0.00 C ATOM 1259 O LEU A 84 -14.587 4.752 5.743 1.00 0.00 O ATOM 1260 CB LEU A 84 -16.498 6.307 3.612 1.00 0.00 C ATOM 1261 CG LEU A 84 -16.426 7.501 2.655 1.00 0.00 C ATOM 1262 CD1 LEU A 84 -16.917 7.103 1.269 1.00 0.00 C ATOM 1263 CD2 LEU A 84 -17.299 8.628 3.198 1.00 0.00 C ATOM 0 H LEU A 84 -16.539 3.841 3.360 1.00 0.00 H new ATOM 0 HA LEU A 84 -14.627 5.831 2.708 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -17.360 5.689 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -16.646 6.663 4.631 1.00 0.00 H new ATOM 0 HG LEU A 84 -15.391 7.833 2.577 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -16.859 7.963 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -16.293 6.299 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -17.950 6.762 1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -17.253 9.482 2.522 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -18.330 8.283 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.939 8.925 4.183 1.00 0.00 H new ATOM 1275 N ALA A 85 -13.602 6.614 4.970 1.00 0.00 N ATOM 1276 CA ALA A 85 -12.751 6.780 6.140 1.00 0.00 C ATOM 1277 C ALA A 85 -13.498 7.365 7.340 1.00 0.00 C ATOM 1278 O ALA A 85 -12.907 7.514 8.408 1.00 0.00 O ATOM 1279 CB ALA A 85 -11.573 7.663 5.759 1.00 0.00 C ATOM 0 H ALA A 85 -13.498 7.346 4.267 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.405 5.795 6.453 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -10.925 7.798 6.625 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -11.010 7.191 4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -11.939 8.634 5.425 1.00 0.00 H new ATOM 1285 N ALA A 86 -14.781 7.695 7.179 1.00 0.00 N ATOM 1286 CA ALA A 86 -15.584 8.293 8.237 1.00 0.00 C ATOM 1287 C ALA A 86 -16.921 7.576 8.408 1.00 0.00 C ATOM 1288 O ALA A 86 -17.793 8.066 9.124 1.00 0.00 O ATOM 1289 CB ALA A 86 -15.792 9.769 7.916 1.00 0.00 C ATOM 0 H ALA A 86 -15.290 7.553 6.307 1.00 0.00 H new ATOM 0 HA ALA A 86 -15.055 8.192 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -16.392 10.231 8.700 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -14.825 10.268 7.858 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -16.308 9.864 6.961 1.00 0.00 H new