USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 497 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 32 GLN : amide:sc= 0.301 K(o=0.65,f=0.086!) USER MOD Set 1.2: A 34 TYR OH : rot 180:sc= 0.35 USER MOD Set 2.1: A 25 CYS SG : rot -96:sc= -0.257 USER MOD Set 2.2: A 27 CYS SG : rot -164:sc= 0.278! USER MOD Set 2.3: A 47 CYS SG : rot -54:sc= 0.203 USER MOD Set 2.4: A 50 CYS SG : rot -151:sc= 0.19 USER MOD Set 3.1: A 18 ASN : amide:sc= -2.74! C(o=-2.9!,f=-6.8!) USER MOD Set 3.2: A 20 MET CE :methyl -130:sc= -0.196 (180deg=-1.5) USER MOD Single : A 3 THR OG1 : rot 109:sc= 1.24 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -164:sc= -0.799 (180deg=-1.28) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 1.19 K(o=1.2,f=-0.055) USER MOD Single : A 22 THR OG1 : rot -9:sc= 0.96 USER MOD Single : A 23 TYR OH : rot 33:sc= 1.29 USER MOD Single : A 38 MET CE :methyl -111:sc= -0.809 (180deg=-1.37) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 2.34 (180deg=2.34) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -44:sc= 0.541 USER MOD Single : A 53 MET CE :methyl -154:sc= -0.222 (180deg=-0.999) USER MOD Single : A 60 LYS NZ :NH3+ 138:sc= 0.0927 (180deg=0) USER MOD Single : A 66 TYR OH : rot 92:sc= -0.0667 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 -9.577 10.202 -14.956 1.00 0.00 N ATOM 30 CA THR A 3 -8.154 10.032 -15.161 1.00 0.00 C ATOM 31 C THR A 3 -7.347 10.767 -14.085 1.00 0.00 C ATOM 32 O THR A 3 -7.553 11.959 -13.844 1.00 0.00 O ATOM 33 CB THR A 3 -7.775 10.565 -16.547 1.00 0.00 C ATOM 34 OG1 THR A 3 -8.413 11.827 -16.761 1.00 0.00 O ATOM 35 CG2 THR A 3 -8.196 9.594 -17.636 1.00 0.00 C ATOM 0 HA THR A 3 -7.919 8.970 -15.093 1.00 0.00 H new ATOM 0 HB THR A 3 -6.692 10.682 -16.589 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.741 12.540 -16.743 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.916 9.996 -18.610 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.699 8.636 -17.482 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.276 9.452 -17.599 1.00 0.00 H new ATOM 43 N TYR A 4 -6.441 10.053 -13.429 1.00 0.00 N ATOM 44 CA TYR A 4 -5.616 10.651 -12.386 1.00 0.00 C ATOM 45 C TYR A 4 -4.205 10.943 -12.875 1.00 0.00 C ATOM 46 O TYR A 4 -3.541 11.846 -12.368 1.00 0.00 O ATOM 47 CB TYR A 4 -5.562 9.746 -11.152 1.00 0.00 C ATOM 48 CG TYR A 4 -6.791 9.847 -10.278 1.00 0.00 C ATOM 49 CD1 TYR A 4 -6.852 10.782 -9.253 1.00 0.00 C ATOM 50 CD2 TYR A 4 -7.888 9.019 -10.477 1.00 0.00 C ATOM 51 CE1 TYR A 4 -7.969 10.889 -8.451 1.00 0.00 C ATOM 52 CE2 TYR A 4 -9.010 9.120 -9.678 1.00 0.00 C ATOM 53 CZ TYR A 4 -9.043 10.057 -8.668 1.00 0.00 C ATOM 54 OH TYR A 4 -10.158 10.161 -7.873 1.00 0.00 O ATOM 0 H TYR A 4 -6.259 9.064 -13.599 1.00 0.00 H new ATOM 0 HA TYR A 4 -6.081 11.599 -12.116 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.439 8.712 -11.474 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.683 10.003 -10.561 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.010 11.437 -9.081 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -7.863 8.285 -11.269 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -8.000 11.621 -7.658 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -9.856 8.469 -9.844 1.00 0.00 H new ATOM 0 HH TYR A 4 -10.826 9.503 -8.158 1.00 0.00 H new ATOM 64 N ASP A 5 -3.750 10.191 -13.860 1.00 0.00 N ATOM 65 CA ASP A 5 -2.391 10.345 -14.358 1.00 0.00 C ATOM 66 C ASP A 5 -2.389 10.931 -15.754 1.00 0.00 C ATOM 67 O ASP A 5 -3.359 10.785 -16.493 1.00 0.00 O ATOM 68 CB ASP A 5 -1.654 9.005 -14.354 1.00 0.00 C ATOM 69 CG ASP A 5 -1.124 8.640 -12.985 1.00 0.00 C ATOM 70 OD1 ASP A 5 -1.932 8.322 -12.090 1.00 0.00 O ATOM 71 OD2 ASP A 5 0.109 8.680 -12.793 1.00 0.00 O ATOM 0 H ASP A 5 -4.297 9.470 -14.331 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.871 11.032 -13.691 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -2.329 8.222 -14.700 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -0.826 9.047 -15.061 1.00 0.00 H new ATOM 76 N GLU A 6 -1.298 11.596 -16.096 1.00 0.00 N ATOM 77 CA GLU A 6 -1.124 12.189 -17.413 1.00 0.00 C ATOM 78 C GLU A 6 0.346 12.123 -17.814 1.00 0.00 C ATOM 79 O GLU A 6 1.212 12.617 -17.090 1.00 0.00 O ATOM 80 CB GLU A 6 -1.610 13.644 -17.415 1.00 0.00 C ATOM 81 CG GLU A 6 -1.468 14.339 -18.762 1.00 0.00 C ATOM 82 CD GLU A 6 -2.108 15.712 -18.783 1.00 0.00 C ATOM 83 OE1 GLU A 6 -1.658 16.595 -18.025 1.00 0.00 O ATOM 84 OE2 GLU A 6 -3.059 15.920 -19.566 1.00 0.00 O ATOM 0 H GLU A 6 -0.507 11.740 -15.468 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.718 11.629 -18.135 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.657 13.668 -17.113 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.050 14.205 -16.667 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.410 14.432 -19.008 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -1.922 13.719 -19.535 1.00 0.00 H new ATOM 91 N ILE A 7 0.633 11.498 -18.949 1.00 0.00 N ATOM 92 CA ILE A 7 2.011 11.368 -19.408 1.00 0.00 C ATOM 93 C ILE A 7 2.146 11.982 -20.792 1.00 0.00 C ATOM 94 O ILE A 7 1.167 12.091 -21.522 1.00 0.00 O ATOM 95 CB ILE A 7 2.497 9.896 -19.467 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.919 9.060 -18.325 1.00 0.00 C ATOM 97 CG2 ILE A 7 4.015 9.838 -19.417 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.633 8.361 -18.691 1.00 0.00 C ATOM 0 H ILE A 7 -0.063 11.076 -19.564 1.00 0.00 H new ATOM 0 HA ILE A 7 2.633 11.891 -18.682 1.00 0.00 H new ATOM 0 HB ILE A 7 2.143 9.477 -20.409 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.655 8.316 -18.019 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.742 9.705 -17.465 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.341 8.799 -19.459 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.428 10.383 -20.266 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.366 10.291 -18.490 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.276 7.785 -17.837 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.117 9.101 -18.969 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.810 7.691 -19.532 1.00 0.00 H new ATOM 110 N GLU A 8 3.352 12.391 -21.150 1.00 0.00 N ATOM 111 CA GLU A 8 3.589 12.999 -22.447 1.00 0.00 C ATOM 112 C GLU A 8 3.541 11.958 -23.561 1.00 0.00 C ATOM 113 O GLU A 8 3.840 10.781 -23.350 1.00 0.00 O ATOM 114 CB GLU A 8 4.929 13.725 -22.461 1.00 0.00 C ATOM 115 CG GLU A 8 4.995 14.894 -21.492 1.00 0.00 C ATOM 116 CD GLU A 8 6.315 15.629 -21.565 1.00 0.00 C ATOM 117 OE1 GLU A 8 7.267 15.213 -20.879 1.00 0.00 O ATOM 118 OE2 GLU A 8 6.407 16.621 -22.317 1.00 0.00 O ATOM 0 H GLU A 8 4.181 12.313 -20.561 1.00 0.00 H new ATOM 0 HA GLU A 8 2.795 13.724 -22.625 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.720 13.016 -22.217 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.126 14.088 -23.470 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.183 15.588 -21.709 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.841 14.530 -20.476 1.00 0.00 H new ATOM 125 N ILE A 9 3.168 12.415 -24.746 1.00 0.00 N ATOM 126 CA ILE A 9 3.034 11.556 -25.914 1.00 0.00 C ATOM 127 C ILE A 9 4.359 10.864 -26.261 1.00 0.00 C ATOM 128 O ILE A 9 4.367 9.764 -26.807 1.00 0.00 O ATOM 129 CB ILE A 9 2.496 12.368 -27.117 1.00 0.00 C ATOM 130 CG1 ILE A 9 2.215 11.459 -28.315 1.00 0.00 C ATOM 131 CG2 ILE A 9 3.470 13.475 -27.498 1.00 0.00 C ATOM 132 CD1 ILE A 9 1.434 12.141 -29.422 1.00 0.00 C ATOM 0 H ILE A 9 2.949 13.395 -24.926 1.00 0.00 H new ATOM 0 HA ILE A 9 2.315 10.772 -25.676 1.00 0.00 H new ATOM 0 HB ILE A 9 1.554 12.827 -26.817 1.00 0.00 H new ATOM 0 HG12 ILE A 9 3.162 11.099 -28.718 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.660 10.585 -27.975 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.073 14.033 -28.346 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.605 14.148 -26.651 1.00 0.00 H new ATOM 0 HG23 ILE A 9 4.430 13.037 -27.770 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.271 11.438 -30.239 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.472 12.477 -29.035 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.997 12.999 -29.789 1.00 0.00 H new ATOM 144 N GLU A 10 5.472 11.517 -25.921 1.00 0.00 N ATOM 145 CA GLU A 10 6.808 10.961 -26.147 1.00 0.00 C ATOM 146 C GLU A 10 6.981 9.625 -25.427 1.00 0.00 C ATOM 147 O GLU A 10 7.616 8.704 -25.944 1.00 0.00 O ATOM 148 CB GLU A 10 7.882 11.916 -25.626 1.00 0.00 C ATOM 149 CG GLU A 10 7.763 13.344 -26.122 1.00 0.00 C ATOM 150 CD GLU A 10 8.817 14.232 -25.498 1.00 0.00 C ATOM 151 OE1 GLU A 10 8.979 14.175 -24.258 1.00 0.00 O ATOM 152 OE2 GLU A 10 9.508 14.968 -26.237 1.00 0.00 O ATOM 0 H GLU A 10 5.474 12.439 -25.485 1.00 0.00 H new ATOM 0 HA GLU A 10 6.915 10.817 -27.222 1.00 0.00 H new ATOM 0 HB2 GLU A 10 7.845 11.921 -24.537 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.860 11.529 -25.910 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.864 13.364 -27.207 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.772 13.732 -25.887 1.00 0.00 H new ATOM 159 N ASP A 11 6.423 9.540 -24.225 1.00 0.00 N ATOM 160 CA ASP A 11 6.606 8.375 -23.365 1.00 0.00 C ATOM 161 C ASP A 11 5.802 7.200 -23.903 1.00 0.00 C ATOM 162 O ASP A 11 6.236 6.046 -23.837 1.00 0.00 O ATOM 163 CB ASP A 11 6.165 8.711 -21.938 1.00 0.00 C ATOM 164 CG ASP A 11 6.903 7.914 -20.882 1.00 0.00 C ATOM 165 OD1 ASP A 11 6.504 6.767 -20.595 1.00 0.00 O ATOM 166 OD2 ASP A 11 7.887 8.441 -20.322 1.00 0.00 O ATOM 0 H ASP A 11 5.836 10.269 -23.821 1.00 0.00 H new ATOM 0 HA ASP A 11 7.661 8.100 -23.353 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.322 9.774 -21.757 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.095 8.526 -21.842 1.00 0.00 H new ATOM 171 N MET A 12 4.626 7.517 -24.438 1.00 0.00 N ATOM 172 CA MET A 12 3.756 6.529 -25.066 1.00 0.00 C ATOM 173 C MET A 12 4.465 5.823 -26.219 1.00 0.00 C ATOM 174 O MET A 12 5.329 6.397 -26.884 1.00 0.00 O ATOM 175 CB MET A 12 2.485 7.206 -25.588 1.00 0.00 C ATOM 176 CG MET A 12 1.640 7.859 -24.503 1.00 0.00 C ATOM 177 SD MET A 12 0.833 6.663 -23.417 1.00 0.00 S ATOM 178 CE MET A 12 -0.267 5.851 -24.570 1.00 0.00 C ATOM 0 H MET A 12 4.250 8.465 -24.448 1.00 0.00 H new ATOM 0 HA MET A 12 3.494 5.786 -24.313 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.764 7.963 -26.321 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.879 6.465 -26.109 1.00 0.00 H new ATOM 0 HG2 MET A 12 2.272 8.515 -23.905 1.00 0.00 H new ATOM 0 HG3 MET A 12 0.881 8.486 -24.970 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.026 5.295 -24.019 1.00 0.00 H new ATOM 0 HE2 MET A 12 -0.750 6.598 -25.200 1.00 0.00 H new ATOM 0 HE3 MET A 12 0.304 5.164 -25.195 1.00 0.00 H new ATOM 188 N THR A 13 4.092 4.576 -26.455 1.00 0.00 N ATOM 189 CA THR A 13 4.669 3.796 -27.536 1.00 0.00 C ATOM 190 C THR A 13 3.716 3.771 -28.726 1.00 0.00 C ATOM 191 O THR A 13 2.666 3.127 -28.681 1.00 0.00 O ATOM 192 CB THR A 13 4.964 2.356 -27.084 1.00 0.00 C ATOM 193 OG1 THR A 13 5.650 2.381 -25.823 1.00 0.00 O ATOM 194 CG2 THR A 13 5.813 1.620 -28.113 1.00 0.00 C ATOM 0 H THR A 13 3.388 4.080 -25.908 1.00 0.00 H new ATOM 0 HA THR A 13 5.608 4.266 -27.827 1.00 0.00 H new ATOM 0 HB THR A 13 4.016 1.827 -26.982 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.837 1.463 -25.534 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.006 0.605 -27.767 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.282 1.584 -29.064 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.760 2.144 -28.245 1.00 0.00 H new ATOM 202 N PHE A 14 4.075 4.483 -29.780 1.00 0.00 N ATOM 203 CA PHE A 14 3.209 4.605 -30.943 1.00 0.00 C ATOM 204 C PHE A 14 3.199 3.318 -31.757 1.00 0.00 C ATOM 205 O PHE A 14 4.240 2.700 -31.979 1.00 0.00 O ATOM 206 CB PHE A 14 3.633 5.794 -31.822 1.00 0.00 C ATOM 207 CG PHE A 14 5.055 5.737 -32.322 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.101 6.202 -31.538 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.343 5.231 -33.581 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.403 6.158 -31.999 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.643 5.184 -34.046 1.00 0.00 C ATOM 212 CZ PHE A 14 7.674 5.650 -33.254 1.00 0.00 C ATOM 0 H PHE A 14 4.959 4.986 -29.856 1.00 0.00 H new ATOM 0 HA PHE A 14 2.196 4.788 -30.584 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.963 5.850 -32.680 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.500 6.714 -31.253 1.00 0.00 H new ATOM 0 HD1 PHE A 14 5.895 6.603 -30.556 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.540 4.869 -34.206 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.208 6.521 -31.378 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.853 4.784 -35.027 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.691 5.617 -33.616 1.00 0.00 H new ATOM 222 N GLU A 15 2.009 2.913 -32.175 1.00 0.00 N ATOM 223 CA GLU A 15 1.844 1.742 -33.018 1.00 0.00 C ATOM 224 C GLU A 15 1.300 2.162 -34.375 1.00 0.00 C ATOM 225 O GLU A 15 0.084 2.171 -34.590 1.00 0.00 O ATOM 226 CB GLU A 15 0.908 0.727 -32.353 1.00 0.00 C ATOM 227 CG GLU A 15 0.728 -0.569 -33.135 1.00 0.00 C ATOM 228 CD GLU A 15 1.984 -1.422 -33.185 1.00 0.00 C ATOM 229 OE1 GLU A 15 3.094 -0.854 -33.140 1.00 0.00 O ATOM 230 OE2 GLU A 15 1.861 -2.665 -33.270 1.00 0.00 O ATOM 0 H GLU A 15 1.136 3.385 -31.940 1.00 0.00 H new ATOM 0 HA GLU A 15 2.814 1.265 -33.157 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.295 0.489 -31.362 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.068 1.190 -32.211 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.078 -1.148 -32.684 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.419 -0.331 -34.153 1.00 0.00 H new ATOM 237 N PRO A 16 2.200 2.532 -35.307 1.00 0.00 N ATOM 238 CA PRO A 16 1.818 3.078 -36.616 1.00 0.00 C ATOM 239 C PRO A 16 0.997 2.096 -37.438 1.00 0.00 C ATOM 240 O PRO A 16 0.160 2.494 -38.246 1.00 0.00 O ATOM 241 CB PRO A 16 3.159 3.369 -37.304 1.00 0.00 C ATOM 242 CG PRO A 16 4.165 2.550 -36.572 1.00 0.00 C ATOM 243 CD PRO A 16 3.665 2.437 -35.161 1.00 0.00 C ATOM 0 HA PRO A 16 1.185 3.960 -36.512 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.126 3.099 -38.360 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.404 4.430 -37.254 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.271 1.565 -37.027 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.147 3.022 -36.601 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.963 1.493 -34.704 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.058 3.234 -34.531 1.00 0.00 H new ATOM 251 N GLU A 17 1.219 0.811 -37.197 1.00 0.00 N ATOM 252 CA GLU A 17 0.521 -0.242 -37.918 1.00 0.00 C ATOM 253 C GLU A 17 -0.955 -0.290 -37.529 1.00 0.00 C ATOM 254 O GLU A 17 -1.779 -0.838 -38.259 1.00 0.00 O ATOM 255 CB GLU A 17 1.184 -1.587 -37.627 1.00 0.00 C ATOM 256 CG GLU A 17 2.661 -1.619 -37.978 1.00 0.00 C ATOM 257 CD GLU A 17 3.329 -2.898 -37.533 1.00 0.00 C ATOM 258 OE1 GLU A 17 3.794 -2.955 -36.378 1.00 0.00 O ATOM 259 OE2 GLU A 17 3.392 -3.854 -38.335 1.00 0.00 O ATOM 0 H GLU A 17 1.883 0.472 -36.501 1.00 0.00 H new ATOM 0 HA GLU A 17 0.581 -0.029 -38.985 1.00 0.00 H new ATOM 0 HB2 GLU A 17 1.064 -1.822 -36.569 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.668 -2.367 -38.187 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.778 -1.507 -39.056 1.00 0.00 H new ATOM 0 HG3 GLU A 17 3.161 -0.770 -37.513 1.00 0.00 H new ATOM 266 N ASN A 18 -1.281 0.278 -36.373 1.00 0.00 N ATOM 267 CA ASN A 18 -2.664 0.306 -35.894 1.00 0.00 C ATOM 268 C ASN A 18 -3.210 1.730 -35.906 1.00 0.00 C ATOM 269 O ASN A 18 -4.365 1.957 -35.551 1.00 0.00 O ATOM 270 CB ASN A 18 -2.769 -0.263 -34.473 1.00 0.00 C ATOM 271 CG ASN A 18 -2.716 -1.785 -34.406 1.00 0.00 C ATOM 272 OD1 ASN A 18 -3.302 -2.395 -33.518 1.00 0.00 O ATOM 273 ND2 ASN A 18 -2.015 -2.404 -35.333 1.00 0.00 N ATOM 0 H ASN A 18 -0.610 0.725 -35.749 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.255 -0.314 -36.568 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -1.958 0.145 -33.869 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.703 0.077 -34.025 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.947 -3.422 -35.327 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.540 -1.866 -36.057 1.00 0.00 H new ATOM 280 N GLN A 19 -2.364 2.681 -36.313 1.00 0.00 N ATOM 281 CA GLN A 19 -2.722 4.102 -36.342 1.00 0.00 C ATOM 282 C GLN A 19 -3.149 4.595 -34.960 1.00 0.00 C ATOM 283 O GLN A 19 -4.119 5.348 -34.831 1.00 0.00 O ATOM 284 CB GLN A 19 -3.845 4.383 -37.354 1.00 0.00 C ATOM 285 CG GLN A 19 -3.430 4.287 -38.817 1.00 0.00 C ATOM 286 CD GLN A 19 -3.461 2.872 -39.358 1.00 0.00 C ATOM 287 OE1 GLN A 19 -4.493 2.406 -39.839 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.331 2.187 -39.319 1.00 0.00 N ATOM 0 H GLN A 19 -1.414 2.488 -36.631 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.829 4.644 -36.652 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.659 3.680 -37.176 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.240 5.382 -37.168 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.091 4.912 -39.417 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.423 4.689 -38.929 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.495 2.606 -38.912 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.296 1.240 -39.696 1.00 0.00 H new ATOM 297 N MET A 20 -2.413 4.190 -33.930 1.00 0.00 N ATOM 298 CA MET A 20 -2.746 4.576 -32.564 1.00 0.00 C ATOM 299 C MET A 20 -1.503 4.562 -31.677 1.00 0.00 C ATOM 300 O MET A 20 -0.465 4.020 -32.053 1.00 0.00 O ATOM 301 CB MET A 20 -3.808 3.636 -31.985 1.00 0.00 C ATOM 302 CG MET A 20 -3.349 2.191 -31.870 1.00 0.00 C ATOM 303 SD MET A 20 -4.606 1.122 -31.149 1.00 0.00 S ATOM 304 CE MET A 20 -3.746 -0.446 -31.145 1.00 0.00 C ATOM 0 H MET A 20 -1.587 3.598 -34.014 1.00 0.00 H new ATOM 0 HA MET A 20 -3.145 5.590 -32.589 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.099 3.995 -30.998 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.698 3.676 -32.614 1.00 0.00 H new ATOM 0 HG2 MET A 20 -3.084 1.818 -32.859 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.447 2.147 -31.260 1.00 0.00 H new ATOM 0 HE1 MET A 20 -4.380 -1.210 -31.594 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.824 -0.357 -31.719 1.00 0.00 H new ATOM 0 HE3 MET A 20 -3.509 -0.728 -30.119 1.00 0.00 H new ATOM 314 N PHE A 21 -1.618 5.165 -30.504 1.00 0.00 N ATOM 315 CA PHE A 21 -0.549 5.139 -29.516 1.00 0.00 C ATOM 316 C PHE A 21 -0.906 4.153 -28.414 1.00 0.00 C ATOM 317 O PHE A 21 -2.061 4.075 -27.998 1.00 0.00 O ATOM 318 CB PHE A 21 -0.321 6.533 -28.918 1.00 0.00 C ATOM 319 CG PHE A 21 0.211 7.546 -29.892 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.644 8.236 -30.740 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.569 7.814 -29.952 1.00 0.00 C ATOM 322 CE1 PHE A 21 -0.149 9.173 -31.627 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.067 8.750 -30.837 1.00 0.00 C ATOM 324 CZ PHE A 21 1.208 9.430 -31.675 1.00 0.00 C ATOM 0 H PHE A 21 -2.447 5.682 -30.211 1.00 0.00 H new ATOM 0 HA PHE A 21 0.373 4.826 -30.006 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.263 6.899 -28.510 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.376 6.448 -28.084 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.705 8.039 -30.706 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.247 7.284 -29.299 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.823 9.704 -32.283 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.128 8.949 -30.873 1.00 0.00 H new ATOM 0 HZ PHE A 21 1.595 10.162 -32.368 1.00 0.00 H new ATOM 334 N THR A 22 0.070 3.392 -27.951 1.00 0.00 N ATOM 335 CA THR A 22 -0.179 2.390 -26.933 1.00 0.00 C ATOM 336 C THR A 22 0.826 2.508 -25.797 1.00 0.00 C ATOM 337 O THR A 22 1.799 3.253 -25.902 1.00 0.00 O ATOM 338 CB THR A 22 -0.132 0.967 -27.527 1.00 0.00 C ATOM 339 OG1 THR A 22 1.146 0.722 -28.134 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.230 0.773 -28.562 1.00 0.00 C ATOM 0 H THR A 22 1.039 3.449 -28.263 1.00 0.00 H new ATOM 0 HA THR A 22 -1.179 2.568 -26.538 1.00 0.00 H new ATOM 0 HB THR A 22 -0.288 0.259 -26.713 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.655 1.559 -28.175 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.175 -0.238 -28.966 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.202 0.924 -28.094 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.100 1.493 -29.370 1.00 0.00 H new ATOM 348 N TYR A 23 0.590 1.793 -24.708 1.00 0.00 N ATOM 349 CA TYR A 23 1.500 1.816 -23.573 1.00 0.00 C ATOM 350 C TYR A 23 1.407 0.503 -22.802 1.00 0.00 C ATOM 351 O TYR A 23 0.314 0.063 -22.453 1.00 0.00 O ATOM 352 CB TYR A 23 1.171 2.998 -22.655 1.00 0.00 C ATOM 353 CG TYR A 23 2.318 3.423 -21.761 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.481 3.952 -22.307 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.234 3.315 -20.377 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.528 4.360 -21.502 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.280 3.718 -19.565 1.00 0.00 C ATOM 358 CZ TYR A 23 4.423 4.242 -20.136 1.00 0.00 C ATOM 359 OH TYR A 23 5.465 4.659 -19.335 1.00 0.00 O ATOM 0 H TYR A 23 -0.223 1.190 -24.586 1.00 0.00 H new ATOM 0 HA TYR A 23 2.519 1.935 -23.940 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.868 3.847 -23.268 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.317 2.734 -22.032 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.569 4.046 -23.379 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.339 2.910 -19.929 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.424 4.770 -21.944 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.203 3.623 -18.492 1.00 0.00 H new ATOM 0 HH TYR A 23 5.908 5.429 -19.749 1.00 0.00 H new ATOM 369 N PRO A 24 2.552 -0.152 -22.570 1.00 0.00 N ATOM 370 CA PRO A 24 2.619 -1.413 -21.812 1.00 0.00 C ATOM 371 C PRO A 24 1.973 -1.305 -20.432 1.00 0.00 C ATOM 372 O PRO A 24 2.313 -0.424 -19.640 1.00 0.00 O ATOM 373 CB PRO A 24 4.122 -1.667 -21.674 1.00 0.00 C ATOM 374 CG PRO A 24 4.741 -0.928 -22.810 1.00 0.00 C ATOM 375 CD PRO A 24 3.876 0.279 -23.041 1.00 0.00 C ATOM 0 HA PRO A 24 2.078 -2.214 -22.316 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.497 -1.306 -20.716 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.349 -2.732 -21.725 1.00 0.00 H new ATOM 0 HG2 PRO A 24 5.764 -0.635 -22.574 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.786 -1.552 -23.703 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.238 1.144 -22.485 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.855 0.562 -24.093 1.00 0.00 H new ATOM 383 N CYS A 25 1.045 -2.211 -20.159 1.00 0.00 N ATOM 384 CA CYS A 25 0.325 -2.242 -18.895 1.00 0.00 C ATOM 385 C CYS A 25 0.244 -3.671 -18.376 1.00 0.00 C ATOM 386 O CYS A 25 0.163 -4.617 -19.167 1.00 0.00 O ATOM 387 CB CYS A 25 -1.083 -1.669 -19.088 1.00 0.00 C ATOM 388 SG CYS A 25 -2.227 -1.960 -17.699 1.00 0.00 S ATOM 0 H CYS A 25 0.770 -2.947 -20.810 1.00 0.00 H new ATOM 0 HA CYS A 25 0.859 -1.634 -18.164 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -1.003 -0.595 -19.255 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.514 -2.100 -19.991 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.956 -3.007 -17.949 1.00 0.00 H new ATOM 393 N PRO A 26 0.317 -3.866 -17.051 1.00 0.00 N ATOM 394 CA PRO A 26 0.113 -5.175 -16.459 1.00 0.00 C ATOM 395 C PRO A 26 -1.365 -5.460 -16.199 1.00 0.00 C ATOM 396 O PRO A 26 -2.009 -4.790 -15.389 1.00 0.00 O ATOM 397 CB PRO A 26 0.888 -5.081 -15.146 1.00 0.00 C ATOM 398 CG PRO A 26 0.869 -3.630 -14.774 1.00 0.00 C ATOM 399 CD PRO A 26 0.619 -2.840 -16.039 1.00 0.00 C ATOM 0 HA PRO A 26 0.446 -5.985 -17.107 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.423 -5.691 -14.371 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.909 -5.442 -15.266 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.089 -3.433 -14.038 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.816 -3.338 -14.320 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -0.211 -2.144 -15.917 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.491 -2.249 -16.319 1.00 0.00 H new ATOM 407 N CYS A 27 -1.867 -6.495 -16.863 1.00 0.00 N ATOM 408 CA CYS A 27 -3.258 -6.925 -16.754 1.00 0.00 C ATOM 409 C CYS A 27 -3.512 -8.011 -17.789 1.00 0.00 C ATOM 410 O CYS A 27 -4.031 -9.087 -17.484 1.00 0.00 O ATOM 411 CB CYS A 27 -4.240 -5.757 -16.976 1.00 0.00 C ATOM 412 SG CYS A 27 -4.228 -5.052 -18.663 1.00 0.00 S ATOM 0 H CYS A 27 -1.313 -7.067 -17.501 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.425 -7.304 -15.746 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.249 -6.101 -16.749 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.006 -4.965 -16.265 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.812 -3.891 -18.652 1.00 0.00 H new ATOM 417 N GLY A 28 -3.116 -7.712 -19.015 1.00 0.00 N ATOM 418 CA GLY A 28 -3.270 -8.635 -20.112 1.00 0.00 C ATOM 419 C GLY A 28 -3.131 -7.935 -21.446 1.00 0.00 C ATOM 420 O GLY A 28 -2.764 -8.554 -22.444 1.00 0.00 O ATOM 0 H GLY A 28 -2.681 -6.825 -19.271 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.522 -9.424 -20.034 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.247 -9.115 -20.051 1.00 0.00 H new ATOM 424 N ASP A 29 -3.399 -6.633 -21.461 1.00 0.00 N ATOM 425 CA ASP A 29 -3.345 -5.853 -22.693 1.00 0.00 C ATOM 426 C ASP A 29 -2.604 -4.541 -22.458 1.00 0.00 C ATOM 427 O ASP A 29 -2.138 -4.281 -21.350 1.00 0.00 O ATOM 428 CB ASP A 29 -4.744 -5.581 -23.244 1.00 0.00 C ATOM 429 CG ASP A 29 -4.775 -5.642 -24.760 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.051 -4.863 -25.416 1.00 0.00 O ATOM 431 OD2 ASP A 29 -5.504 -6.497 -25.303 1.00 0.00 O ATOM 0 H ASP A 29 -3.656 -6.095 -20.633 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.802 -6.439 -23.435 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.443 -6.311 -22.837 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.080 -4.598 -22.913 1.00 0.00 H new ATOM 436 N ARG A 30 -2.417 -3.765 -23.516 1.00 0.00 N ATOM 437 CA ARG A 30 -1.725 -2.482 -23.425 1.00 0.00 C ATOM 438 C ARG A 30 -2.702 -1.320 -23.607 1.00 0.00 C ATOM 439 O ARG A 30 -3.713 -1.457 -24.301 1.00 0.00 O ATOM 440 CB ARG A 30 -0.629 -2.405 -24.494 1.00 0.00 C ATOM 441 CG ARG A 30 -1.144 -2.642 -25.906 1.00 0.00 C ATOM 442 CD ARG A 30 -0.073 -2.394 -26.956 1.00 0.00 C ATOM 443 NE ARG A 30 1.075 -3.286 -26.815 1.00 0.00 N ATOM 444 CZ ARG A 30 2.256 -3.068 -27.397 1.00 0.00 C ATOM 445 NH1 ARG A 30 2.443 -1.982 -28.141 1.00 0.00 N ATOM 446 NH2 ARG A 30 3.253 -3.925 -27.225 1.00 0.00 N ATOM 0 H ARG A 30 -2.737 -4.002 -24.455 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.277 -2.405 -22.434 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.155 -1.424 -24.448 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.141 -3.142 -24.268 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.505 -3.667 -25.992 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.995 -1.988 -26.095 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -0.507 -2.521 -27.948 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.265 -1.360 -26.886 1.00 0.00 H new ATOM 0 HE ARG A 30 0.968 -4.122 -26.240 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.683 -1.314 -28.268 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.346 -1.817 -28.585 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.119 -4.754 -26.646 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.154 -3.755 -27.671 1.00 0.00 H new ATOM 460 N PHE A 31 -2.393 -0.180 -22.985 1.00 0.00 N ATOM 461 CA PHE A 31 -3.170 1.042 -23.188 1.00 0.00 C ATOM 462 C PHE A 31 -3.227 1.372 -24.669 1.00 0.00 C ATOM 463 O PHE A 31 -2.234 1.208 -25.373 1.00 0.00 O ATOM 464 CB PHE A 31 -2.536 2.235 -22.461 1.00 0.00 C ATOM 465 CG PHE A 31 -2.544 2.153 -20.963 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.660 2.545 -20.242 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.426 1.712 -20.275 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.662 2.495 -18.863 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.423 1.657 -18.897 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.542 2.049 -18.190 1.00 0.00 C ATOM 0 H PHE A 31 -1.611 -0.079 -22.338 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.169 0.867 -22.789 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.504 2.337 -22.797 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.060 3.142 -22.761 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.538 2.894 -20.765 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.547 1.408 -20.824 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.538 2.804 -18.311 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.546 1.308 -18.372 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.541 2.007 -17.111 1.00 0.00 H new ATOM 480 N GLN A 32 -4.372 1.829 -25.141 1.00 0.00 N ATOM 481 CA GLN A 32 -4.497 2.244 -26.525 1.00 0.00 C ATOM 482 C GLN A 32 -5.290 3.543 -26.628 1.00 0.00 C ATOM 483 O GLN A 32 -6.317 3.716 -25.973 1.00 0.00 O ATOM 484 CB GLN A 32 -5.140 1.133 -27.366 1.00 0.00 C ATOM 485 CG GLN A 32 -6.546 0.762 -26.973 1.00 0.00 C ATOM 486 CD GLN A 32 -6.960 -0.534 -27.619 1.00 0.00 C ATOM 487 OE1 GLN A 32 -6.149 -1.444 -27.798 1.00 0.00 O ATOM 488 NE2 GLN A 32 -8.201 -0.610 -28.033 1.00 0.00 N ATOM 0 H GLN A 32 -5.225 1.922 -24.589 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.499 2.430 -26.922 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.142 1.445 -28.410 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.515 0.242 -27.301 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.613 0.670 -25.889 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.232 1.556 -27.269 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.843 0.165 -27.866 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.525 -1.444 -28.523 1.00 0.00 H new ATOM 497 N ILE A 33 -4.778 4.468 -27.423 1.00 0.00 N ATOM 498 CA ILE A 33 -5.450 5.731 -27.671 1.00 0.00 C ATOM 499 C ILE A 33 -5.496 6.002 -29.169 1.00 0.00 C ATOM 500 O ILE A 33 -4.484 5.888 -29.864 1.00 0.00 O ATOM 501 CB ILE A 33 -4.768 6.907 -26.926 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.502 8.220 -27.210 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.299 7.019 -27.310 1.00 0.00 C ATOM 504 CD1 ILE A 33 -4.934 9.406 -26.462 1.00 0.00 C ATOM 0 H ILE A 33 -3.889 4.365 -27.912 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.466 5.653 -27.284 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.821 6.706 -25.856 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.464 8.424 -28.280 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.553 8.104 -26.945 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.845 7.852 -26.773 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.783 6.095 -27.049 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.216 7.191 -28.383 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.504 10.301 -26.712 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -4.997 9.224 -25.389 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -3.891 9.549 -26.745 1.00 0.00 H new ATOM 516 N TYR A 34 -6.676 6.335 -29.663 1.00 0.00 N ATOM 517 CA TYR A 34 -6.889 6.499 -31.091 1.00 0.00 C ATOM 518 C TYR A 34 -6.566 7.925 -31.511 1.00 0.00 C ATOM 519 O TYR A 34 -6.773 8.867 -30.746 1.00 0.00 O ATOM 520 CB TYR A 34 -8.336 6.150 -31.447 1.00 0.00 C ATOM 521 CG TYR A 34 -8.812 4.866 -30.803 1.00 0.00 C ATOM 522 CD1 TYR A 34 -8.454 3.626 -31.322 1.00 0.00 C ATOM 523 CD2 TYR A 34 -9.613 4.897 -29.671 1.00 0.00 C ATOM 524 CE1 TYR A 34 -8.879 2.456 -30.722 1.00 0.00 C ATOM 525 CE2 TYR A 34 -10.043 3.732 -29.068 1.00 0.00 C ATOM 526 CZ TYR A 34 -9.675 2.514 -29.599 1.00 0.00 C ATOM 527 OH TYR A 34 -10.097 1.353 -28.997 1.00 0.00 O ATOM 0 H TYR A 34 -7.506 6.498 -29.093 1.00 0.00 H new ATOM 0 HA TYR A 34 -6.224 5.823 -31.628 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.987 6.968 -31.138 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.427 6.062 -32.530 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.835 3.577 -32.206 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.905 5.849 -29.254 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.588 1.500 -31.132 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -10.664 3.774 -28.185 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.649 1.571 -28.217 1.00 0.00 H new ATOM 537 N LEU A 35 -6.073 8.076 -32.730 1.00 0.00 N ATOM 538 CA LEU A 35 -5.645 9.377 -33.225 1.00 0.00 C ATOM 539 C LEU A 35 -6.850 10.301 -33.370 1.00 0.00 C ATOM 540 O LEU A 35 -6.758 11.502 -33.117 1.00 0.00 O ATOM 541 CB LEU A 35 -4.923 9.205 -34.566 1.00 0.00 C ATOM 542 CG LEU A 35 -3.858 10.257 -34.899 1.00 0.00 C ATOM 543 CD1 LEU A 35 -4.481 11.611 -35.198 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.853 10.367 -33.764 1.00 0.00 C ATOM 0 H LEU A 35 -5.959 7.313 -33.397 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.953 9.828 -32.514 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.450 8.223 -34.578 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.669 9.209 -35.360 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.338 9.932 -35.800 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.695 12.330 -35.429 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -5.154 11.522 -36.051 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.042 11.954 -34.328 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.103 11.117 -34.014 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.368 10.659 -32.849 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.366 9.403 -33.614 1.00 0.00 H new ATOM 556 N ASP A 36 -7.979 9.722 -33.756 1.00 0.00 N ATOM 557 CA ASP A 36 -9.218 10.464 -33.904 1.00 0.00 C ATOM 558 C ASP A 36 -9.577 11.179 -32.611 1.00 0.00 C ATOM 559 O ASP A 36 -9.933 12.355 -32.622 1.00 0.00 O ATOM 560 CB ASP A 36 -10.344 9.515 -34.305 1.00 0.00 C ATOM 561 CG ASP A 36 -10.119 8.891 -35.665 1.00 0.00 C ATOM 562 OD1 ASP A 36 -9.427 7.854 -35.742 1.00 0.00 O ATOM 563 OD2 ASP A 36 -10.626 9.438 -36.666 1.00 0.00 O ATOM 0 H ASP A 36 -8.059 8.729 -33.974 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.082 11.213 -34.684 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.434 8.727 -33.558 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.289 10.059 -34.310 1.00 0.00 H new ATOM 568 N ASP A 37 -9.451 10.467 -31.498 1.00 0.00 N ATOM 569 CA ASP A 37 -9.739 11.027 -30.181 1.00 0.00 C ATOM 570 C ASP A 37 -8.773 12.157 -29.856 1.00 0.00 C ATOM 571 O ASP A 37 -9.174 13.205 -29.353 1.00 0.00 O ATOM 572 CB ASP A 37 -9.645 9.943 -29.103 1.00 0.00 C ATOM 573 CG ASP A 37 -10.714 8.882 -29.249 1.00 0.00 C ATOM 574 OD1 ASP A 37 -10.600 8.044 -30.167 1.00 0.00 O ATOM 575 OD2 ASP A 37 -11.673 8.881 -28.445 1.00 0.00 O ATOM 0 H ASP A 37 -9.149 9.493 -31.481 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.754 11.423 -30.198 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.663 9.473 -29.151 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -9.729 10.406 -28.120 1.00 0.00 H new ATOM 580 N MET A 38 -7.497 11.939 -30.164 1.00 0.00 N ATOM 581 CA MET A 38 -6.461 12.934 -29.896 1.00 0.00 C ATOM 582 C MET A 38 -6.713 14.201 -30.711 1.00 0.00 C ATOM 583 O MET A 38 -6.500 15.317 -30.231 1.00 0.00 O ATOM 584 CB MET A 38 -5.073 12.366 -30.203 1.00 0.00 C ATOM 585 CG MET A 38 -4.815 11.022 -29.541 1.00 0.00 C ATOM 586 SD MET A 38 -3.091 10.505 -29.637 1.00 0.00 S ATOM 587 CE MET A 38 -2.346 11.649 -28.485 1.00 0.00 C ATOM 0 H MET A 38 -7.155 11.082 -30.599 1.00 0.00 H new ATOM 0 HA MET A 38 -6.499 13.191 -28.837 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.962 12.259 -31.282 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.316 13.077 -29.873 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.114 11.076 -28.494 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.442 10.265 -30.013 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.717 12.355 -29.028 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.128 12.193 -27.955 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.737 11.098 -27.768 1.00 0.00 H new ATOM 597 N PHE A 39 -7.182 14.018 -31.938 1.00 0.00 N ATOM 598 CA PHE A 39 -7.554 15.138 -32.798 1.00 0.00 C ATOM 599 C PHE A 39 -8.746 15.884 -32.208 1.00 0.00 C ATOM 600 O PHE A 39 -8.829 17.109 -32.296 1.00 0.00 O ATOM 601 CB PHE A 39 -7.884 14.639 -34.210 1.00 0.00 C ATOM 602 CG PHE A 39 -8.344 15.724 -35.147 1.00 0.00 C ATOM 603 CD1 PHE A 39 -7.453 16.676 -35.619 1.00 0.00 C ATOM 604 CD2 PHE A 39 -9.668 15.792 -35.553 1.00 0.00 C ATOM 605 CE1 PHE A 39 -7.875 17.675 -36.479 1.00 0.00 C ATOM 606 CE2 PHE A 39 -10.095 16.787 -36.412 1.00 0.00 C ATOM 607 CZ PHE A 39 -9.196 17.729 -36.877 1.00 0.00 C ATOM 0 H PHE A 39 -7.315 13.101 -32.363 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.710 15.824 -32.861 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -7.001 14.159 -34.631 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.660 13.876 -34.143 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.418 16.637 -35.312 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -10.374 15.058 -35.194 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.172 18.412 -36.838 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -11.129 16.829 -36.720 1.00 0.00 H new ATOM 0 HZ PHE A 39 -9.527 18.506 -37.551 1.00 0.00 H new ATOM 617 N GLU A 40 -9.647 15.136 -31.585 1.00 0.00 N ATOM 618 CA GLU A 40 -10.835 15.703 -30.954 1.00 0.00 C ATOM 619 C GLU A 40 -10.483 16.487 -29.693 1.00 0.00 C ATOM 620 O GLU A 40 -11.295 17.260 -29.184 1.00 0.00 O ATOM 621 CB GLU A 40 -11.812 14.588 -30.596 1.00 0.00 C ATOM 622 CG GLU A 40 -12.498 13.962 -31.794 1.00 0.00 C ATOM 623 CD GLU A 40 -13.397 14.940 -32.512 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.445 15.309 -31.944 1.00 0.00 O ATOM 625 OE2 GLU A 40 -13.061 15.347 -33.644 1.00 0.00 O ATOM 0 H GLU A 40 -9.577 14.122 -31.502 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.293 16.389 -31.666 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.277 13.811 -30.050 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.571 14.986 -29.922 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.745 13.587 -32.487 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.085 13.104 -31.467 1.00 0.00 H new ATOM 632 N GLY A 41 -9.280 16.273 -29.188 1.00 0.00 N ATOM 633 CA GLY A 41 -8.872 16.901 -27.949 1.00 0.00 C ATOM 634 C GLY A 41 -9.030 15.958 -26.779 1.00 0.00 C ATOM 635 O GLY A 41 -8.664 16.281 -25.647 1.00 0.00 O ATOM 0 H GLY A 41 -8.575 15.673 -29.616 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.832 17.219 -28.025 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.468 17.798 -27.780 1.00 0.00 H new ATOM 639 N GLU A 42 -9.571 14.777 -27.060 1.00 0.00 N ATOM 640 CA GLU A 42 -9.748 13.747 -26.049 1.00 0.00 C ATOM 641 C GLU A 42 -8.449 12.997 -25.859 1.00 0.00 C ATOM 642 O GLU A 42 -8.232 11.935 -26.443 1.00 0.00 O ATOM 643 CB GLU A 42 -10.863 12.779 -26.447 1.00 0.00 C ATOM 644 CG GLU A 42 -12.204 13.459 -26.613 1.00 0.00 C ATOM 645 CD GLU A 42 -12.758 13.984 -25.306 1.00 0.00 C ATOM 646 OE1 GLU A 42 -13.395 13.206 -24.564 1.00 0.00 O ATOM 647 OE2 GLU A 42 -12.568 15.184 -25.019 1.00 0.00 O ATOM 0 H GLU A 42 -9.896 14.510 -27.989 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.033 14.223 -25.111 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.593 12.287 -27.381 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.948 12.000 -25.689 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.104 14.284 -27.318 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.913 12.754 -27.047 1.00 0.00 H new ATOM 654 N LYS A 43 -7.567 13.574 -25.076 1.00 0.00 N ATOM 655 CA LYS A 43 -6.283 12.951 -24.829 1.00 0.00 C ATOM 656 C LYS A 43 -6.350 12.068 -23.591 1.00 0.00 C ATOM 657 O LYS A 43 -6.257 12.521 -22.457 1.00 0.00 O ATOM 658 CB LYS A 43 -5.164 14.007 -24.746 1.00 0.00 C ATOM 659 CG LYS A 43 -5.515 15.281 -23.972 1.00 0.00 C ATOM 660 CD LYS A 43 -5.276 15.146 -22.477 1.00 0.00 C ATOM 661 CE LYS A 43 -5.747 16.377 -21.724 1.00 0.00 C ATOM 662 NZ LYS A 43 -5.597 16.227 -20.252 1.00 0.00 N ATOM 0 H LYS A 43 -7.711 14.466 -24.602 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.036 12.304 -25.671 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.291 13.550 -24.281 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.876 14.286 -25.760 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.921 16.110 -24.357 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -6.562 15.530 -24.147 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.799 14.267 -22.102 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.214 14.988 -22.290 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.179 17.245 -22.059 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.793 16.569 -21.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.931 17.091 -19.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.159 15.415 -19.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.596 16.070 -20.019 1.00 0.00 H new ATOM 676 N VAL A 44 -6.523 10.788 -23.841 1.00 0.00 N ATOM 677 CA VAL A 44 -6.618 9.796 -22.793 1.00 0.00 C ATOM 678 C VAL A 44 -6.494 8.402 -23.390 1.00 0.00 C ATOM 679 O VAL A 44 -7.176 8.068 -24.361 1.00 0.00 O ATOM 680 CB VAL A 44 -7.942 9.935 -21.996 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.123 10.112 -22.936 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.164 8.737 -21.081 1.00 0.00 C ATOM 0 H VAL A 44 -6.602 10.405 -24.783 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.799 9.959 -22.093 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.861 10.825 -21.373 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.040 10.207 -22.354 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -8.979 11.010 -23.536 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.198 9.245 -23.593 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.099 8.864 -20.536 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.213 7.827 -21.679 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.339 8.662 -20.373 1.00 0.00 H new ATOM 692 N ALA A 45 -5.618 7.598 -22.825 1.00 0.00 N ATOM 693 CA ALA A 45 -5.408 6.252 -23.320 1.00 0.00 C ATOM 694 C ALA A 45 -6.170 5.262 -22.459 1.00 0.00 C ATOM 695 O ALA A 45 -6.097 5.307 -21.228 1.00 0.00 O ATOM 696 CB ALA A 45 -3.923 5.913 -23.350 1.00 0.00 C ATOM 0 H ALA A 45 -5.040 7.852 -22.024 1.00 0.00 H new ATOM 0 HA ALA A 45 -5.784 6.190 -24.341 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.789 4.898 -23.725 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.403 6.613 -24.004 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.513 5.985 -22.343 1.00 0.00 H new ATOM 702 N VAL A 46 -6.926 4.395 -23.109 1.00 0.00 N ATOM 703 CA VAL A 46 -7.706 3.386 -22.415 1.00 0.00 C ATOM 704 C VAL A 46 -7.080 2.024 -22.603 1.00 0.00 C ATOM 705 O VAL A 46 -6.673 1.666 -23.706 1.00 0.00 O ATOM 706 CB VAL A 46 -9.171 3.355 -22.905 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.255 3.131 -24.412 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.978 2.298 -22.156 1.00 0.00 C ATOM 0 H VAL A 46 -7.016 4.370 -24.125 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.710 3.647 -21.357 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.605 4.332 -22.691 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.301 3.115 -24.720 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.737 3.938 -24.929 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.788 2.179 -24.665 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.005 2.298 -22.521 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.534 1.316 -22.322 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.972 2.524 -21.090 1.00 0.00 H new ATOM 718 N CYS A 47 -6.973 1.284 -21.526 1.00 0.00 N ATOM 719 CA CYS A 47 -6.454 -0.049 -21.610 1.00 0.00 C ATOM 720 C CYS A 47 -7.581 -1.057 -21.474 1.00 0.00 C ATOM 721 O CYS A 47 -8.345 -1.018 -20.504 1.00 0.00 O ATOM 722 CB CYS A 47 -5.406 -0.288 -20.527 1.00 0.00 C ATOM 723 SG CYS A 47 -4.493 -1.854 -20.689 1.00 0.00 S ATOM 0 H CYS A 47 -7.238 1.585 -20.588 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.980 -0.173 -22.584 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.693 0.536 -20.542 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.897 -0.268 -19.554 1.00 0.00 H new ATOM 0 HG CYS A 47 -5.335 -2.842 -20.759 1.00 0.00 H new ATOM 728 N PRO A 48 -7.723 -1.940 -22.463 1.00 0.00 N ATOM 729 CA PRO A 48 -8.660 -3.053 -22.390 1.00 0.00 C ATOM 730 C PRO A 48 -8.253 -4.041 -21.302 1.00 0.00 C ATOM 731 O PRO A 48 -7.093 -4.069 -20.893 1.00 0.00 O ATOM 732 CB PRO A 48 -8.576 -3.695 -23.780 1.00 0.00 C ATOM 733 CG PRO A 48 -7.257 -3.266 -24.326 1.00 0.00 C ATOM 734 CD PRO A 48 -6.979 -1.916 -23.732 1.00 0.00 C ATOM 0 HA PRO A 48 -9.671 -2.736 -22.135 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.642 -4.781 -23.717 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.394 -3.362 -24.418 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.475 -3.977 -24.060 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.284 -3.215 -25.414 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -5.912 -1.761 -23.569 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.322 -1.112 -24.383 1.00 0.00 H new ATOM 742 N SER A 49 -9.227 -4.805 -20.810 1.00 0.00 N ATOM 743 CA SER A 49 -9.008 -5.828 -19.783 1.00 0.00 C ATOM 744 C SER A 49 -9.080 -5.222 -18.385 1.00 0.00 C ATOM 745 O SER A 49 -9.949 -5.591 -17.590 1.00 0.00 O ATOM 746 CB SER A 49 -7.679 -6.573 -20.000 1.00 0.00 C ATOM 747 OG SER A 49 -7.362 -7.422 -18.908 1.00 0.00 O ATOM 0 H SER A 49 -10.198 -4.733 -21.114 1.00 0.00 H new ATOM 0 HA SER A 49 -9.809 -6.562 -19.873 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.740 -7.164 -20.914 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.876 -5.849 -20.142 1.00 0.00 H new ATOM 0 HG SER A 49 -6.513 -7.878 -19.084 1.00 0.00 H new ATOM 753 N CYS A 50 -8.193 -4.287 -18.087 1.00 0.00 N ATOM 754 CA CYS A 50 -8.183 -3.666 -16.769 1.00 0.00 C ATOM 755 C CYS A 50 -9.065 -2.420 -16.767 1.00 0.00 C ATOM 756 O CYS A 50 -9.553 -1.992 -15.719 1.00 0.00 O ATOM 757 CB CYS A 50 -6.754 -3.323 -16.340 1.00 0.00 C ATOM 758 SG CYS A 50 -6.002 -1.952 -17.266 1.00 0.00 S ATOM 0 H CYS A 50 -7.479 -3.943 -18.729 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.587 -4.377 -16.048 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.756 -3.071 -15.279 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -6.130 -4.209 -16.456 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.713 -2.116 -17.314 1.00 0.00 H new ATOM 763 N SER A 51 -9.262 -1.856 -17.961 1.00 0.00 N ATOM 764 CA SER A 51 -10.148 -0.714 -18.163 1.00 0.00 C ATOM 765 C SER A 51 -9.585 0.545 -17.499 1.00 0.00 C ATOM 766 O SER A 51 -10.327 1.344 -16.924 1.00 0.00 O ATOM 767 CB SER A 51 -11.556 -1.039 -17.633 1.00 0.00 C ATOM 768 OG SER A 51 -12.482 -0.004 -17.931 1.00 0.00 O ATOM 0 H SER A 51 -8.809 -2.181 -18.815 1.00 0.00 H new ATOM 0 HA SER A 51 -10.218 -0.514 -19.232 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.903 -1.975 -18.072 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.513 -1.189 -16.554 1.00 0.00 H new ATOM 0 HG SER A 51 -12.073 0.866 -17.740 1.00 0.00 H new ATOM 774 N LEU A 52 -8.279 0.756 -17.622 1.00 0.00 N ATOM 775 CA LEU A 52 -7.647 1.904 -17.006 1.00 0.00 C ATOM 776 C LEU A 52 -7.460 3.006 -18.034 1.00 0.00 C ATOM 777 O LEU A 52 -7.177 2.744 -19.203 1.00 0.00 O ATOM 778 CB LEU A 52 -6.306 1.518 -16.375 1.00 0.00 C ATOM 779 CG LEU A 52 -5.551 2.657 -15.678 1.00 0.00 C ATOM 780 CD1 LEU A 52 -6.392 3.268 -14.567 1.00 0.00 C ATOM 781 CD2 LEU A 52 -4.230 2.154 -15.121 1.00 0.00 C ATOM 0 H LEU A 52 -7.645 0.148 -18.141 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.295 2.272 -16.210 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.481 0.724 -15.649 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.665 1.103 -17.153 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.349 3.431 -16.418 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.834 4.073 -14.089 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.316 3.666 -14.987 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.630 2.503 -13.828 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.706 2.974 -14.630 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.419 1.359 -14.399 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.616 1.767 -15.934 1.00 0.00 H new ATOM 793 N MET A 53 -7.648 4.231 -17.592 1.00 0.00 N ATOM 794 CA MET A 53 -7.541 5.391 -18.467 1.00 0.00 C ATOM 795 C MET A 53 -6.688 6.471 -17.828 1.00 0.00 C ATOM 796 O MET A 53 -6.805 6.736 -16.633 1.00 0.00 O ATOM 797 CB MET A 53 -8.930 5.948 -18.773 1.00 0.00 C ATOM 798 CG MET A 53 -9.791 5.006 -19.589 1.00 0.00 C ATOM 799 SD MET A 53 -11.530 5.475 -19.589 1.00 0.00 S ATOM 800 CE MET A 53 -11.932 5.236 -17.856 1.00 0.00 C ATOM 0 H MET A 53 -7.878 4.456 -16.624 1.00 0.00 H new ATOM 0 HA MET A 53 -7.066 5.074 -19.395 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.438 6.172 -17.835 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.825 6.890 -19.311 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.425 4.984 -20.616 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.692 3.995 -19.193 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.997 5.028 -17.755 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.359 4.397 -17.462 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.684 6.138 -17.297 1.00 0.00 H new ATOM 810 N ILE A 54 -5.827 7.090 -18.627 1.00 0.00 N ATOM 811 CA ILE A 54 -4.986 8.188 -18.157 1.00 0.00 C ATOM 812 C ILE A 54 -4.872 9.255 -19.244 1.00 0.00 C ATOM 813 O ILE A 54 -4.967 8.940 -20.433 1.00 0.00 O ATOM 814 CB ILE A 54 -3.559 7.720 -17.740 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.659 7.465 -18.960 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.628 6.476 -16.864 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.111 6.337 -19.860 1.00 0.00 C ATOM 0 H ILE A 54 -5.691 6.850 -19.609 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.467 8.598 -17.269 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.113 8.530 -17.163 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.603 8.380 -19.549 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.650 7.249 -18.610 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.619 6.170 -16.587 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.201 6.697 -15.963 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.113 5.670 -17.414 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.414 6.234 -20.692 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.139 5.407 -19.292 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.107 6.556 -20.246 1.00 0.00 H new ATOM 829 N ASP A 55 -4.698 10.504 -18.839 1.00 0.00 N ATOM 830 CA ASP A 55 -4.514 11.600 -19.788 1.00 0.00 C ATOM 831 C ASP A 55 -3.166 11.467 -20.491 1.00 0.00 C ATOM 832 O ASP A 55 -2.234 10.859 -19.960 1.00 0.00 O ATOM 833 CB ASP A 55 -4.548 12.960 -19.085 1.00 0.00 C ATOM 834 CG ASP A 55 -5.892 13.335 -18.495 1.00 0.00 C ATOM 835 OD1 ASP A 55 -6.164 12.953 -17.340 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.661 14.062 -19.163 1.00 0.00 O ATOM 0 H ASP A 55 -4.680 10.788 -17.859 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.331 11.543 -20.508 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.804 12.960 -18.288 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.252 13.730 -19.798 1.00 0.00 H new ATOM 841 N VAL A 56 -3.057 12.043 -21.680 1.00 0.00 N ATOM 842 CA VAL A 56 -1.794 12.050 -22.410 1.00 0.00 C ATOM 843 C VAL A 56 -1.512 13.436 -22.997 1.00 0.00 C ATOM 844 O VAL A 56 -2.329 13.982 -23.735 1.00 0.00 O ATOM 845 CB VAL A 56 -1.785 11.004 -23.546 1.00 0.00 C ATOM 846 CG1 VAL A 56 -0.485 11.075 -24.344 1.00 0.00 C ATOM 847 CG2 VAL A 56 -1.989 9.599 -22.994 1.00 0.00 C ATOM 0 H VAL A 56 -3.826 12.511 -22.160 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.013 11.792 -21.695 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.613 11.235 -24.216 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.504 10.328 -25.138 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.381 12.068 -24.782 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.359 10.880 -23.683 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.979 8.881 -23.814 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.187 9.363 -22.295 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.948 9.547 -22.478 1.00 0.00 H new ATOM 857 N VAL A 57 -0.354 14.000 -22.669 1.00 0.00 N ATOM 858 CA VAL A 57 0.038 15.302 -23.196 1.00 0.00 C ATOM 859 C VAL A 57 0.481 15.159 -24.647 1.00 0.00 C ATOM 860 O VAL A 57 1.571 14.657 -24.925 1.00 0.00 O ATOM 861 CB VAL A 57 1.184 15.942 -22.377 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.493 17.341 -22.883 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.841 15.971 -20.899 1.00 0.00 C ATOM 0 H VAL A 57 0.329 13.576 -22.041 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.832 15.955 -23.126 1.00 0.00 H new ATOM 0 HB VAL A 57 2.075 15.328 -22.507 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.302 17.771 -22.292 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.795 17.291 -23.929 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.605 17.966 -22.791 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.662 16.425 -20.344 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.067 16.555 -20.748 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.681 14.953 -20.543 1.00 0.00 H new ATOM 873 N PHE A 58 -0.370 15.586 -25.565 1.00 0.00 N ATOM 874 CA PHE A 58 -0.104 15.427 -26.985 1.00 0.00 C ATOM 875 C PHE A 58 0.219 16.766 -27.630 1.00 0.00 C ATOM 876 O PHE A 58 -0.040 17.824 -27.052 1.00 0.00 O ATOM 877 CB PHE A 58 -1.312 14.801 -27.689 1.00 0.00 C ATOM 878 CG PHE A 58 -2.496 15.725 -27.818 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.279 16.038 -26.720 1.00 0.00 C ATOM 880 CD2 PHE A 58 -2.826 16.276 -29.046 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.369 16.879 -26.843 1.00 0.00 C ATOM 882 CE2 PHE A 58 -3.914 17.118 -29.175 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.687 17.419 -28.070 1.00 0.00 C ATOM 0 H PHE A 58 -1.254 16.047 -25.351 1.00 0.00 H new ATOM 0 HA PHE A 58 0.757 14.768 -27.091 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -1.010 14.474 -28.684 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.618 13.910 -27.140 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.035 15.620 -25.755 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -2.225 16.044 -29.913 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.971 17.113 -25.978 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -4.160 17.540 -30.138 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.539 18.076 -28.168 1.00 0.00 H new ATOM 893 N ASP A 59 0.777 16.715 -28.829 1.00 0.00 N ATOM 894 CA ASP A 59 1.045 17.920 -29.594 1.00 0.00 C ATOM 895 C ASP A 59 0.503 17.766 -31.000 1.00 0.00 C ATOM 896 O ASP A 59 0.491 16.662 -31.545 1.00 0.00 O ATOM 897 CB ASP A 59 2.538 18.210 -29.666 1.00 0.00 C ATOM 898 CG ASP A 59 2.815 19.617 -30.140 1.00 0.00 C ATOM 899 OD1 ASP A 59 2.717 20.553 -29.316 1.00 0.00 O ATOM 900 OD2 ASP A 59 3.100 19.802 -31.335 1.00 0.00 O ATOM 0 H ASP A 59 1.053 15.850 -29.293 1.00 0.00 H new ATOM 0 HA ASP A 59 0.553 18.752 -29.090 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.984 18.064 -28.682 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.014 17.499 -30.341 1.00 0.00 H new ATOM 905 N LYS A 60 0.049 18.863 -31.579 1.00 0.00 N ATOM 906 CA LYS A 60 -0.474 18.844 -32.938 1.00 0.00 C ATOM 907 C LYS A 60 0.619 18.470 -33.940 1.00 0.00 C ATOM 908 O LYS A 60 0.350 17.813 -34.945 1.00 0.00 O ATOM 909 CB LYS A 60 -1.108 20.192 -33.303 1.00 0.00 C ATOM 910 CG LYS A 60 -2.531 20.377 -32.777 1.00 0.00 C ATOM 911 CD LYS A 60 -2.575 20.506 -31.261 1.00 0.00 C ATOM 912 CE LYS A 60 -4.004 20.537 -30.739 1.00 0.00 C ATOM 913 NZ LYS A 60 -4.059 20.773 -29.272 1.00 0.00 N ATOM 0 H LYS A 60 0.031 19.779 -31.131 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.252 18.082 -32.985 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.481 20.994 -32.912 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.117 20.295 -34.388 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.970 21.267 -33.228 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.143 19.529 -33.085 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.041 19.670 -30.809 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.057 21.416 -30.958 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.560 21.321 -31.253 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.495 19.592 -30.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.824 21.444 -29.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.240 19.874 -28.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.152 21.167 -28.949 1.00 0.00 H new ATOM 927 N GLU A 61 1.858 18.862 -33.649 1.00 0.00 N ATOM 928 CA GLU A 61 2.977 18.533 -34.523 1.00 0.00 C ATOM 929 C GLU A 61 3.340 17.061 -34.397 1.00 0.00 C ATOM 930 O GLU A 61 3.628 16.396 -35.396 1.00 0.00 O ATOM 931 CB GLU A 61 4.187 19.415 -34.215 1.00 0.00 C ATOM 932 CG GLU A 61 4.056 20.828 -34.758 1.00 0.00 C ATOM 933 CD GLU A 61 4.024 20.854 -36.274 1.00 0.00 C ATOM 934 OE1 GLU A 61 5.094 20.674 -36.895 1.00 0.00 O ATOM 935 OE2 GLU A 61 2.938 21.044 -36.853 1.00 0.00 O ATOM 0 H GLU A 61 2.109 19.403 -32.822 1.00 0.00 H new ATOM 0 HA GLU A 61 2.672 18.725 -35.552 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.329 19.460 -33.135 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.081 18.953 -34.635 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.145 21.283 -34.368 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.891 21.432 -34.403 1.00 0.00 H new ATOM 942 N ASP A 62 3.315 16.546 -33.169 1.00 0.00 N ATOM 943 CA ASP A 62 3.533 15.121 -32.942 1.00 0.00 C ATOM 944 C ASP A 62 2.481 14.301 -33.678 1.00 0.00 C ATOM 945 O ASP A 62 2.790 13.275 -34.284 1.00 0.00 O ATOM 946 CB ASP A 62 3.502 14.789 -31.448 1.00 0.00 C ATOM 947 CG ASP A 62 4.815 15.089 -30.754 1.00 0.00 C ATOM 948 OD1 ASP A 62 5.042 16.258 -30.375 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.625 14.153 -30.582 1.00 0.00 O ATOM 0 H ASP A 62 3.147 17.090 -32.323 1.00 0.00 H new ATOM 0 HA ASP A 62 4.520 14.867 -33.329 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.705 15.359 -30.970 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.261 13.734 -31.320 1.00 0.00 H new ATOM 954 N LEU A 63 1.240 14.774 -33.634 1.00 0.00 N ATOM 955 CA LEU A 63 0.149 14.107 -34.329 1.00 0.00 C ATOM 956 C LEU A 63 0.375 14.127 -35.835 1.00 0.00 C ATOM 957 O LEU A 63 0.278 13.098 -36.494 1.00 0.00 O ATOM 958 CB LEU A 63 -1.192 14.770 -34.002 1.00 0.00 C ATOM 959 CG LEU A 63 -1.621 14.717 -32.534 1.00 0.00 C ATOM 960 CD1 LEU A 63 -3.013 15.307 -32.370 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.578 13.289 -32.009 1.00 0.00 C ATOM 0 H LEU A 63 0.967 15.615 -33.125 1.00 0.00 H new ATOM 0 HA LEU A 63 0.124 13.072 -33.988 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.144 15.815 -34.309 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.967 14.296 -34.605 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.920 15.313 -31.949 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.306 15.263 -31.321 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.010 16.345 -32.702 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.723 14.736 -32.969 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.887 13.276 -30.964 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.254 12.666 -32.595 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.563 12.901 -32.092 1.00 0.00 H new ATOM 973 N ALA A 64 0.693 15.304 -36.369 1.00 0.00 N ATOM 974 CA ALA A 64 0.891 15.478 -37.805 1.00 0.00 C ATOM 975 C ALA A 64 2.025 14.598 -38.335 1.00 0.00 C ATOM 976 O ALA A 64 1.909 14.003 -39.410 1.00 0.00 O ATOM 977 CB ALA A 64 1.166 16.940 -38.118 1.00 0.00 C ATOM 0 H ALA A 64 0.820 16.157 -35.824 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.025 15.167 -38.307 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.313 17.061 -39.191 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.319 17.546 -37.797 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.064 17.262 -37.591 1.00 0.00 H new ATOM 983 N GLU A 65 3.115 14.526 -37.582 1.00 0.00 N ATOM 984 CA GLU A 65 4.262 13.712 -37.966 1.00 0.00 C ATOM 985 C GLU A 65 3.875 12.237 -38.021 1.00 0.00 C ATOM 986 O GLU A 65 4.057 11.564 -39.037 1.00 0.00 O ATOM 987 CB GLU A 65 5.387 13.910 -36.951 1.00 0.00 C ATOM 988 CG GLU A 65 6.694 13.243 -37.340 1.00 0.00 C ATOM 989 CD GLU A 65 7.373 13.928 -38.504 1.00 0.00 C ATOM 990 OE1 GLU A 65 8.146 14.880 -38.263 1.00 0.00 O ATOM 991 OE2 GLU A 65 7.143 13.519 -39.660 1.00 0.00 O ATOM 0 H GLU A 65 3.229 15.023 -36.699 1.00 0.00 H new ATOM 0 HA GLU A 65 4.599 14.021 -38.955 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.561 14.978 -36.820 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.065 13.519 -35.986 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.366 13.241 -36.482 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.503 12.201 -37.597 1.00 0.00 H new ATOM 998 N TYR A 66 3.312 11.754 -36.924 1.00 0.00 N ATOM 999 CA TYR A 66 2.908 10.363 -36.808 1.00 0.00 C ATOM 1000 C TYR A 66 1.807 10.018 -37.807 1.00 0.00 C ATOM 1001 O TYR A 66 1.773 8.912 -38.345 1.00 0.00 O ATOM 1002 CB TYR A 66 2.440 10.086 -35.378 1.00 0.00 C ATOM 1003 CG TYR A 66 1.835 8.719 -35.186 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.632 7.584 -35.137 1.00 0.00 C ATOM 1005 CD2 TYR A 66 0.461 8.564 -35.067 1.00 0.00 C ATOM 1006 CE1 TYR A 66 2.073 6.335 -34.970 1.00 0.00 C ATOM 1007 CE2 TYR A 66 -0.102 7.320 -34.901 1.00 0.00 C ATOM 1008 CZ TYR A 66 0.707 6.210 -34.855 1.00 0.00 C ATOM 1009 OH TYR A 66 0.146 4.975 -34.699 1.00 0.00 O ATOM 0 H TYR A 66 3.123 12.314 -36.092 1.00 0.00 H new ATOM 0 HA TYR A 66 3.767 9.732 -37.038 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.288 10.195 -34.701 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.706 10.840 -35.094 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.704 7.680 -35.231 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.177 9.435 -35.105 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.704 5.459 -34.930 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.173 7.216 -34.807 1.00 0.00 H new ATOM 0 HH TYR A 66 0.046 4.779 -33.744 1.00 0.00 H new ATOM 1019 N TYR A 67 0.913 10.972 -38.044 1.00 0.00 N ATOM 1020 CA TYR A 67 -0.174 10.812 -39.007 1.00 0.00 C ATOM 1021 C TYR A 67 0.359 10.384 -40.372 1.00 0.00 C ATOM 1022 O TYR A 67 -0.184 9.476 -41.003 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.974 12.124 -39.110 1.00 0.00 C ATOM 1024 CG TYR A 67 -1.457 12.477 -40.503 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -2.462 11.748 -41.130 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -0.903 13.550 -41.188 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -2.891 12.076 -42.403 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -1.329 13.885 -42.457 1.00 0.00 C ATOM 1029 CZ TYR A 67 -2.319 13.147 -43.061 1.00 0.00 C ATOM 1030 OH TYR A 67 -2.734 13.477 -44.333 1.00 0.00 O ATOM 0 H TYR A 67 0.920 11.878 -37.575 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.839 10.023 -38.657 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.838 12.057 -38.449 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -0.353 12.940 -38.740 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.914 10.913 -40.615 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -0.124 14.133 -40.719 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.669 11.498 -42.880 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.886 14.724 -42.974 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.230 14.256 -44.650 1.00 0.00 H new ATOM 1040 N GLU A 68 1.427 11.029 -40.811 1.00 0.00 N ATOM 1041 CA GLU A 68 2.024 10.721 -42.106 1.00 0.00 C ATOM 1042 C GLU A 68 2.693 9.349 -42.105 1.00 0.00 C ATOM 1043 O GLU A 68 2.656 8.636 -43.108 1.00 0.00 O ATOM 1044 CB GLU A 68 3.042 11.795 -42.488 1.00 0.00 C ATOM 1045 CG GLU A 68 2.423 13.082 -43.006 1.00 0.00 C ATOM 1046 CD GLU A 68 1.897 12.945 -44.420 1.00 0.00 C ATOM 1047 OE1 GLU A 68 2.709 12.688 -45.333 1.00 0.00 O ATOM 1048 OE2 GLU A 68 0.677 13.102 -44.633 1.00 0.00 O ATOM 0 H GLU A 68 1.900 11.769 -40.292 1.00 0.00 H new ATOM 0 HA GLU A 68 1.221 10.704 -42.843 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.655 12.025 -41.617 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.709 11.393 -43.251 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.608 13.381 -42.346 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.167 13.878 -42.974 1.00 0.00 H new ATOM 1055 N GLU A 69 3.299 8.986 -40.982 1.00 0.00 N ATOM 1056 CA GLU A 69 4.007 7.714 -40.873 1.00 0.00 C ATOM 1057 C GLU A 69 3.047 6.534 -40.728 1.00 0.00 C ATOM 1058 O GLU A 69 3.318 5.438 -41.223 1.00 0.00 O ATOM 1059 CB GLU A 69 4.979 7.740 -39.693 1.00 0.00 C ATOM 1060 CG GLU A 69 6.250 8.526 -39.972 1.00 0.00 C ATOM 1061 CD GLU A 69 7.306 8.326 -38.903 1.00 0.00 C ATOM 1062 OE1 GLU A 69 7.692 7.160 -38.658 1.00 0.00 O ATOM 1063 OE2 GLU A 69 7.771 9.329 -38.324 1.00 0.00 O ATOM 0 H GLU A 69 3.315 9.552 -40.134 1.00 0.00 H new ATOM 0 HA GLU A 69 4.565 7.578 -41.799 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.476 8.172 -38.828 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.245 6.716 -39.429 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.655 8.224 -40.938 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.008 9.586 -40.045 1.00 0.00 H new ATOM 1070 N ALA A 70 1.934 6.755 -40.050 1.00 0.00 N ATOM 1071 CA ALA A 70 0.967 5.691 -39.810 1.00 0.00 C ATOM 1072 C ALA A 70 -0.060 5.598 -40.935 1.00 0.00 C ATOM 1073 O ALA A 70 -0.713 4.569 -41.097 1.00 0.00 O ATOM 1074 CB ALA A 70 0.271 5.907 -38.478 1.00 0.00 C ATOM 0 H ALA A 70 1.675 7.659 -39.655 1.00 0.00 H new ATOM 0 HA ALA A 70 1.511 4.747 -39.781 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.449 5.106 -38.310 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.010 5.905 -37.677 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.248 6.865 -38.490 1.00 0.00 H new ATOM 1080 N GLY A 71 -0.207 6.675 -41.699 1.00 0.00 N ATOM 1081 CA GLY A 71 -1.188 6.694 -42.769 1.00 0.00 C ATOM 1082 C GLY A 71 -2.589 6.814 -42.219 1.00 0.00 C ATOM 1083 O GLY A 71 -3.448 5.965 -42.468 1.00 0.00 O ATOM 0 H GLY A 71 0.334 7.534 -41.597 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.984 7.529 -43.439 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.103 5.783 -43.361 1.00 0.00 H new