USER MOD reduce.3.24.130724 H: found=0, std=0, add=500, rem=0, adj=18 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= -0.767 K(o=-0.37,f=0.55) USER MOD Set 1.2: A 34 TYR OH : rot 139:sc= 0.396 USER MOD Set 2.1: A 25 CYS SG : rot -94:sc= 0.97 USER MOD Set 2.2: A 27 CYS SG : rot -171:sc= 0.191! USER MOD Set 2.3: A 47 CYS SG : rot -172:sc= 0.364 USER MOD Set 2.4: A 50 CYS SG : rot -147:sc= -0.895 USER MOD Single : A 3 THR OG1 : rot 140:sc= 1.23 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl -111:sc= -1.04 (180deg=-2.36) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00327 X(o=-0.0033,f=0) USER MOD Single : A 19 GLN : amide:sc= 0.539 K(o=0.54,f=-0.12) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 51:sc= 1.25 USER MOD Single : A 38 MET CE :methyl 171:sc= -0.257 (180deg=-0.419) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -160:sc= 0 USER MOD Single : A 51 SER OG : rot -43:sc= 0.515 USER MOD Single : A 53 MET CE :methyl -150:sc= -0.247 (180deg=-1.23) USER MOD Single : A 60 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.23) USER MOD Single : A 66 TYR OH : rot 89:sc= 0.72 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 29 N THR A 3 -8.840 9.815 -14.608 1.00 0.00 N ATOM 30 CA THR A 3 -7.531 9.601 -15.184 1.00 0.00 C ATOM 31 C THR A 3 -6.456 9.833 -14.131 1.00 0.00 C ATOM 32 O THR A 3 -6.265 10.954 -13.658 1.00 0.00 O ATOM 33 CB THR A 3 -7.314 10.531 -16.387 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.749 11.860 -16.062 1.00 0.00 O ATOM 35 CG2 THR A 3 -8.080 10.028 -17.597 1.00 0.00 C ATOM 0 HA THR A 3 -7.465 8.570 -15.533 1.00 0.00 H new ATOM 0 HB THR A 3 -6.250 10.544 -16.625 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.117 12.511 -16.432 1.00 0.00 H new ATOM 0 HG21 THR A 3 -7.913 10.700 -18.439 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.733 9.028 -17.857 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.145 9.994 -17.365 1.00 0.00 H new ATOM 43 N TYR A 4 -5.767 8.770 -13.748 1.00 0.00 N ATOM 44 CA TYR A 4 -4.847 8.839 -12.621 1.00 0.00 C ATOM 45 C TYR A 4 -3.417 9.102 -13.078 1.00 0.00 C ATOM 46 O TYR A 4 -2.507 9.230 -12.257 1.00 0.00 O ATOM 47 CB TYR A 4 -4.918 7.554 -11.796 1.00 0.00 C ATOM 48 CG TYR A 4 -4.590 7.775 -10.338 1.00 0.00 C ATOM 49 CD1 TYR A 4 -5.377 8.615 -9.562 1.00 0.00 C ATOM 50 CD2 TYR A 4 -3.498 7.160 -9.738 1.00 0.00 C ATOM 51 CE1 TYR A 4 -5.091 8.839 -8.233 1.00 0.00 C ATOM 52 CE2 TYR A 4 -3.203 7.378 -8.404 1.00 0.00 C ATOM 53 CZ TYR A 4 -4.006 8.220 -7.655 1.00 0.00 C ATOM 54 OH TYR A 4 -3.727 8.443 -6.323 1.00 0.00 O ATOM 0 H TYR A 4 -5.825 7.855 -14.196 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.152 9.678 -11.995 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -5.919 7.130 -11.878 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.226 6.822 -12.212 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -6.231 9.103 -10.009 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.871 6.502 -10.321 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -5.715 9.497 -7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.351 6.894 -7.950 1.00 0.00 H new ATOM 0 HH TYR A 4 -2.931 7.933 -6.066 1.00 0.00 H new ATOM 64 N ASP A 5 -3.221 9.192 -14.384 1.00 0.00 N ATOM 65 CA ASP A 5 -1.905 9.476 -14.934 1.00 0.00 C ATOM 66 C ASP A 5 -2.049 10.374 -16.158 1.00 0.00 C ATOM 67 O ASP A 5 -3.165 10.620 -16.622 1.00 0.00 O ATOM 68 CB ASP A 5 -1.178 8.176 -15.308 1.00 0.00 C ATOM 69 CG ASP A 5 0.332 8.279 -15.182 1.00 0.00 C ATOM 70 OD1 ASP A 5 0.924 9.245 -15.710 1.00 0.00 O ATOM 71 OD2 ASP A 5 0.938 7.393 -14.542 1.00 0.00 O ATOM 0 H ASP A 5 -3.955 9.073 -15.082 1.00 0.00 H new ATOM 0 HA ASP A 5 -1.310 9.988 -14.178 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -1.536 7.370 -14.667 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -1.433 7.906 -16.333 1.00 0.00 H new ATOM 76 N GLU A 6 -0.929 10.851 -16.667 1.00 0.00 N ATOM 77 CA GLU A 6 -0.905 11.764 -17.800 1.00 0.00 C ATOM 78 C GLU A 6 0.497 11.766 -18.403 1.00 0.00 C ATOM 79 O GLU A 6 1.434 12.290 -17.796 1.00 0.00 O ATOM 80 CB GLU A 6 -1.304 13.171 -17.335 1.00 0.00 C ATOM 81 CG GLU A 6 -1.402 14.197 -18.452 1.00 0.00 C ATOM 82 CD GLU A 6 -1.845 15.559 -17.948 1.00 0.00 C ATOM 83 OE1 GLU A 6 -1.007 16.285 -17.373 1.00 0.00 O ATOM 84 OE2 GLU A 6 -3.030 15.911 -18.126 1.00 0.00 O ATOM 0 H GLU A 6 -0.004 10.616 -16.306 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.616 11.442 -18.560 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.266 13.113 -16.826 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.576 13.518 -16.602 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -0.433 14.291 -18.942 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -2.107 13.844 -19.205 1.00 0.00 H new ATOM 91 N ILE A 7 0.653 11.178 -19.582 1.00 0.00 N ATOM 92 CA ILE A 7 1.987 10.992 -20.142 1.00 0.00 C ATOM 93 C ILE A 7 2.108 11.715 -21.471 1.00 0.00 C ATOM 94 O ILE A 7 1.117 11.895 -22.176 1.00 0.00 O ATOM 95 CB ILE A 7 2.345 9.499 -20.359 1.00 0.00 C ATOM 96 CG1 ILE A 7 1.872 8.633 -19.191 1.00 0.00 C ATOM 97 CG2 ILE A 7 3.845 9.327 -20.545 1.00 0.00 C ATOM 98 CD1 ILE A 7 0.514 8.019 -19.423 1.00 0.00 C ATOM 0 H ILE A 7 -0.111 10.827 -20.160 1.00 0.00 H new ATOM 0 HA ILE A 7 2.684 11.406 -19.413 1.00 0.00 H new ATOM 0 HB ILE A 7 1.830 9.172 -21.262 1.00 0.00 H new ATOM 0 HG12 ILE A 7 2.598 7.839 -19.017 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.840 9.240 -18.286 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.074 8.272 -20.696 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.172 9.897 -21.415 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.365 9.688 -19.658 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.235 7.416 -18.559 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.223 8.809 -19.568 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.547 7.387 -20.310 1.00 0.00 H new ATOM 110 N GLU A 8 3.321 12.137 -21.799 1.00 0.00 N ATOM 111 CA GLU A 8 3.592 12.760 -23.081 1.00 0.00 C ATOM 112 C GLU A 8 3.330 11.764 -24.201 1.00 0.00 C ATOM 113 O GLU A 8 3.592 10.568 -24.054 1.00 0.00 O ATOM 114 CB GLU A 8 5.044 13.232 -23.152 1.00 0.00 C ATOM 115 CG GLU A 8 5.489 14.026 -21.939 1.00 0.00 C ATOM 116 CD GLU A 8 4.646 15.259 -21.689 1.00 0.00 C ATOM 117 OE1 GLU A 8 4.828 16.268 -22.405 1.00 0.00 O ATOM 118 OE2 GLU A 8 3.808 15.228 -20.768 1.00 0.00 O ATOM 0 H GLU A 8 4.135 12.057 -21.190 1.00 0.00 H new ATOM 0 HA GLU A 8 2.935 13.622 -23.193 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.693 12.364 -23.265 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.174 13.845 -24.044 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.451 13.384 -21.059 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.529 14.326 -22.071 1.00 0.00 H new ATOM 125 N ILE A 9 2.830 12.265 -25.313 1.00 0.00 N ATOM 126 CA ILE A 9 2.498 11.428 -26.461 1.00 0.00 C ATOM 127 C ILE A 9 3.736 10.698 -26.991 1.00 0.00 C ATOM 128 O ILE A 9 3.655 9.557 -27.443 1.00 0.00 O ATOM 129 CB ILE A 9 1.852 12.270 -27.589 1.00 0.00 C ATOM 130 CG1 ILE A 9 1.502 11.390 -28.794 1.00 0.00 C ATOM 131 CG2 ILE A 9 2.772 13.412 -28.002 1.00 0.00 C ATOM 132 CD1 ILE A 9 0.806 12.137 -29.913 1.00 0.00 C ATOM 0 H ILE A 9 2.641 13.258 -25.451 1.00 0.00 H new ATOM 0 HA ILE A 9 1.778 10.682 -26.126 1.00 0.00 H new ATOM 0 HB ILE A 9 0.927 12.700 -27.205 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.416 10.941 -29.183 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.862 10.573 -28.462 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.300 13.991 -28.795 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.959 14.057 -27.144 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.717 13.006 -28.363 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.590 11.449 -30.730 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.126 12.563 -29.541 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.452 12.937 -30.273 1.00 0.00 H new ATOM 144 N GLU A 10 4.882 11.355 -26.884 1.00 0.00 N ATOM 145 CA GLU A 10 6.139 10.814 -27.383 1.00 0.00 C ATOM 146 C GLU A 10 6.639 9.671 -26.499 1.00 0.00 C ATOM 147 O GLU A 10 7.348 8.776 -26.962 1.00 0.00 O ATOM 148 CB GLU A 10 7.188 11.927 -27.449 1.00 0.00 C ATOM 149 CG GLU A 10 8.499 11.501 -28.086 1.00 0.00 C ATOM 150 CD GLU A 10 9.546 12.585 -28.018 1.00 0.00 C ATOM 151 OE1 GLU A 10 10.255 12.666 -26.994 1.00 0.00 O ATOM 152 OE2 GLU A 10 9.663 13.365 -28.984 1.00 0.00 O ATOM 0 H GLU A 10 4.967 12.274 -26.451 1.00 0.00 H new ATOM 0 HA GLU A 10 5.969 10.414 -28.383 1.00 0.00 H new ATOM 0 HB2 GLU A 10 6.778 12.766 -28.011 1.00 0.00 H new ATOM 0 HB3 GLU A 10 7.386 12.286 -26.439 1.00 0.00 H new ATOM 0 HG2 GLU A 10 8.871 10.607 -27.585 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.324 11.232 -29.128 1.00 0.00 H new ATOM 159 N ASP A 11 6.272 9.707 -25.222 1.00 0.00 N ATOM 160 CA ASP A 11 6.743 8.707 -24.269 1.00 0.00 C ATOM 161 C ASP A 11 6.042 7.372 -24.502 1.00 0.00 C ATOM 162 O ASP A 11 6.647 6.309 -24.356 1.00 0.00 O ATOM 163 CB ASP A 11 6.508 9.177 -22.830 1.00 0.00 C ATOM 164 CG ASP A 11 7.182 8.285 -21.797 1.00 0.00 C ATOM 165 OD1 ASP A 11 8.359 8.536 -21.471 1.00 0.00 O ATOM 166 OD2 ASP A 11 6.539 7.344 -21.288 1.00 0.00 O ATOM 0 H ASP A 11 5.653 10.414 -24.824 1.00 0.00 H new ATOM 0 HA ASP A 11 7.814 8.573 -24.422 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.880 10.196 -22.721 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.436 9.206 -22.633 1.00 0.00 H new ATOM 171 N MET A 12 4.767 7.442 -24.875 1.00 0.00 N ATOM 172 CA MET A 12 3.973 6.249 -25.153 1.00 0.00 C ATOM 173 C MET A 12 4.442 5.550 -26.424 1.00 0.00 C ATOM 174 O MET A 12 5.000 6.177 -27.325 1.00 0.00 O ATOM 175 CB MET A 12 2.490 6.609 -25.275 1.00 0.00 C ATOM 176 CG MET A 12 1.879 7.110 -23.977 1.00 0.00 C ATOM 177 SD MET A 12 0.136 7.533 -24.141 1.00 0.00 S ATOM 178 CE MET A 12 -0.537 5.989 -24.741 1.00 0.00 C ATOM 0 H MET A 12 4.259 8.319 -24.992 1.00 0.00 H new ATOM 0 HA MET A 12 4.108 5.562 -24.317 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.372 7.374 -26.042 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.938 5.732 -25.612 1.00 0.00 H new ATOM 0 HG2 MET A 12 1.991 6.345 -23.209 1.00 0.00 H new ATOM 0 HG3 MET A 12 2.430 7.987 -23.636 1.00 0.00 H new ATOM 0 HE1 MET A 12 -0.856 6.109 -25.776 1.00 0.00 H new ATOM 0 HE2 MET A 12 0.226 5.213 -24.684 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.392 5.703 -24.129 1.00 0.00 H new ATOM 188 N THR A 13 4.202 4.248 -26.491 1.00 0.00 N ATOM 189 CA THR A 13 4.612 3.441 -27.628 1.00 0.00 C ATOM 190 C THR A 13 3.603 3.559 -28.770 1.00 0.00 C ATOM 191 O THR A 13 2.457 3.122 -28.650 1.00 0.00 O ATOM 192 CB THR A 13 4.752 1.962 -27.219 1.00 0.00 C ATOM 193 OG1 THR A 13 5.525 1.865 -26.014 1.00 0.00 O ATOM 194 CG2 THR A 13 5.420 1.152 -28.319 1.00 0.00 C ATOM 0 H THR A 13 3.719 3.724 -25.761 1.00 0.00 H new ATOM 0 HA THR A 13 5.578 3.813 -27.969 1.00 0.00 H new ATOM 0 HB THR A 13 3.754 1.557 -27.051 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.611 0.924 -25.755 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.506 0.112 -28.004 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.820 1.207 -29.227 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.413 1.555 -28.515 1.00 0.00 H new ATOM 202 N PHE A 14 4.027 4.160 -29.868 1.00 0.00 N ATOM 203 CA PHE A 14 3.156 4.344 -31.017 1.00 0.00 C ATOM 204 C PHE A 14 3.015 3.048 -31.807 1.00 0.00 C ATOM 205 O PHE A 14 3.985 2.314 -31.992 1.00 0.00 O ATOM 206 CB PHE A 14 3.688 5.466 -31.922 1.00 0.00 C ATOM 207 CG PHE A 14 5.056 5.209 -32.498 1.00 0.00 C ATOM 208 CD1 PHE A 14 6.195 5.406 -31.735 1.00 0.00 C ATOM 209 CD2 PHE A 14 5.198 4.772 -33.806 1.00 0.00 C ATOM 210 CE1 PHE A 14 7.451 5.170 -32.265 1.00 0.00 C ATOM 211 CE2 PHE A 14 6.450 4.536 -34.341 1.00 0.00 C ATOM 212 CZ PHE A 14 7.577 4.736 -33.570 1.00 0.00 C ATOM 0 H PHE A 14 4.970 4.529 -29.989 1.00 0.00 H new ATOM 0 HA PHE A 14 2.170 4.629 -30.651 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.986 5.618 -32.741 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.717 6.394 -31.350 1.00 0.00 H new ATOM 0 HD1 PHE A 14 6.102 5.748 -30.715 1.00 0.00 H new ATOM 0 HD2 PHE A 14 4.320 4.614 -34.414 1.00 0.00 H new ATOM 0 HE1 PHE A 14 8.332 5.325 -31.659 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.546 4.195 -35.361 1.00 0.00 H new ATOM 0 HZ PHE A 14 8.556 4.553 -33.987 1.00 0.00 H new ATOM 222 N GLU A 15 1.799 2.763 -32.252 1.00 0.00 N ATOM 223 CA GLU A 15 1.545 1.606 -33.094 1.00 0.00 C ATOM 224 C GLU A 15 1.121 2.076 -34.483 1.00 0.00 C ATOM 225 O GLU A 15 -0.071 2.258 -34.752 1.00 0.00 O ATOM 226 CB GLU A 15 0.465 0.715 -32.473 1.00 0.00 C ATOM 227 CG GLU A 15 0.540 -0.730 -32.929 1.00 0.00 C ATOM 228 CD GLU A 15 1.790 -1.425 -32.424 1.00 0.00 C ATOM 229 OE1 GLU A 15 2.270 -1.069 -31.329 1.00 0.00 O ATOM 230 OE2 GLU A 15 2.296 -2.331 -33.124 1.00 0.00 O ATOM 0 H GLU A 15 0.971 3.321 -32.042 1.00 0.00 H new ATOM 0 HA GLU A 15 2.458 1.016 -33.179 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.555 0.751 -31.387 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.516 1.117 -32.725 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.340 -1.267 -32.576 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.520 -0.767 -34.018 1.00 0.00 H new ATOM 237 N PRO A 16 2.101 2.285 -35.376 1.00 0.00 N ATOM 238 CA PRO A 16 1.882 2.939 -36.672 1.00 0.00 C ATOM 239 C PRO A 16 0.891 2.207 -37.575 1.00 0.00 C ATOM 240 O PRO A 16 0.206 2.840 -38.376 1.00 0.00 O ATOM 241 CB PRO A 16 3.275 2.967 -37.314 1.00 0.00 C ATOM 242 CG PRO A 16 4.063 1.931 -36.589 1.00 0.00 C ATOM 243 CD PRO A 16 3.508 1.884 -35.196 1.00 0.00 C ATOM 0 HA PRO A 16 1.438 3.925 -36.534 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.221 2.746 -38.380 1.00 0.00 H new ATOM 0 HB3 PRO A 16 3.734 3.951 -37.215 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.973 0.961 -37.077 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.123 2.185 -36.578 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.590 0.886 -34.764 1.00 0.00 H new ATOM 0 HD3 PRO A 16 4.038 2.564 -34.529 1.00 0.00 H new ATOM 251 N GLU A 17 0.800 0.886 -37.446 1.00 0.00 N ATOM 252 CA GLU A 17 -0.095 0.111 -38.308 1.00 0.00 C ATOM 253 C GLU A 17 -1.555 0.426 -37.999 1.00 0.00 C ATOM 254 O GLU A 17 -2.407 0.411 -38.887 1.00 0.00 O ATOM 255 CB GLU A 17 0.112 -1.398 -38.145 1.00 0.00 C ATOM 256 CG GLU A 17 1.542 -1.826 -37.899 1.00 0.00 C ATOM 257 CD GLU A 17 1.880 -1.802 -36.429 1.00 0.00 C ATOM 258 OE1 GLU A 17 1.403 -2.689 -35.693 1.00 0.00 O ATOM 259 OE2 GLU A 17 2.590 -0.881 -35.998 1.00 0.00 O ATOM 0 H GLU A 17 1.324 0.335 -36.766 1.00 0.00 H new ATOM 0 HA GLU A 17 0.146 0.396 -39.332 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.503 -1.746 -37.315 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.251 -1.898 -39.043 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.695 -2.831 -38.292 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.219 -1.165 -38.440 1.00 0.00 H new ATOM 266 N ASN A 18 -1.834 0.723 -36.740 1.00 0.00 N ATOM 267 CA ASN A 18 -3.209 0.908 -36.292 1.00 0.00 C ATOM 268 C ASN A 18 -3.531 2.378 -36.077 1.00 0.00 C ATOM 269 O ASN A 18 -4.640 2.716 -35.667 1.00 0.00 O ATOM 270 CB ASN A 18 -3.457 0.134 -34.997 1.00 0.00 C ATOM 271 CG ASN A 18 -3.400 -1.369 -35.182 1.00 0.00 C ATOM 272 OD1 ASN A 18 -4.408 -2.008 -35.484 1.00 0.00 O ATOM 273 ND2 ASN A 18 -2.224 -1.949 -34.987 1.00 0.00 N ATOM 0 H ASN A 18 -1.131 0.841 -36.011 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.863 0.524 -37.075 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.715 0.431 -34.256 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.434 0.408 -34.598 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.131 -2.960 -35.086 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.412 -1.384 -34.738 1.00 0.00 H new ATOM 280 N GLN A 19 -2.553 3.244 -36.349 1.00 0.00 N ATOM 281 CA GLN A 19 -2.716 4.689 -36.162 1.00 0.00 C ATOM 282 C GLN A 19 -3.096 4.999 -34.714 1.00 0.00 C ATOM 283 O GLN A 19 -3.903 5.891 -34.446 1.00 0.00 O ATOM 284 CB GLN A 19 -3.780 5.266 -37.114 1.00 0.00 C ATOM 285 CG GLN A 19 -3.365 5.339 -38.581 1.00 0.00 C ATOM 286 CD GLN A 19 -3.433 4.001 -39.293 1.00 0.00 C ATOM 287 OE1 GLN A 19 -4.474 3.625 -39.831 1.00 0.00 O ATOM 288 NE2 GLN A 19 -2.320 3.293 -39.348 1.00 0.00 N ATOM 0 H GLN A 19 -1.636 2.969 -36.701 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.761 5.160 -36.394 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -4.682 4.658 -37.037 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -4.042 6.269 -36.776 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.009 6.051 -39.098 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.348 5.725 -38.644 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -1.475 3.635 -38.890 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.305 2.404 -39.848 1.00 0.00 H new ATOM 297 N MET A 20 -2.492 4.275 -33.778 1.00 0.00 N ATOM 298 CA MET A 20 -2.846 4.418 -32.376 1.00 0.00 C ATOM 299 C MET A 20 -1.603 4.422 -31.497 1.00 0.00 C ATOM 300 O MET A 20 -0.496 4.148 -31.964 1.00 0.00 O ATOM 301 CB MET A 20 -3.786 3.289 -31.943 1.00 0.00 C ATOM 302 CG MET A 20 -3.140 1.915 -31.917 1.00 0.00 C ATOM 303 SD MET A 20 -4.287 0.624 -31.399 1.00 0.00 S ATOM 304 CE MET A 20 -3.189 -0.786 -31.306 1.00 0.00 C ATOM 0 H MET A 20 -1.761 3.589 -33.965 1.00 0.00 H new ATOM 0 HA MET A 20 -3.358 5.373 -32.256 1.00 0.00 H new ATOM 0 HB2 MET A 20 -4.173 3.515 -30.949 1.00 0.00 H new ATOM 0 HB3 MET A 20 -4.640 3.263 -32.619 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.756 1.679 -32.909 1.00 0.00 H new ATOM 0 HG3 MET A 20 -2.286 1.931 -31.240 1.00 0.00 H new ATOM 0 HE1 MET A 20 -3.753 -1.666 -30.997 1.00 0.00 H new ATOM 0 HE2 MET A 20 -2.744 -0.966 -32.285 1.00 0.00 H new ATOM 0 HE3 MET A 20 -2.401 -0.586 -30.580 1.00 0.00 H new ATOM 314 N PHE A 21 -1.795 4.738 -30.228 1.00 0.00 N ATOM 315 CA PHE A 21 -0.719 4.709 -29.251 1.00 0.00 C ATOM 316 C PHE A 21 -1.050 3.717 -28.147 1.00 0.00 C ATOM 317 O PHE A 21 -2.213 3.558 -27.776 1.00 0.00 O ATOM 318 CB PHE A 21 -0.484 6.098 -28.652 1.00 0.00 C ATOM 319 CG PHE A 21 0.243 7.041 -29.565 1.00 0.00 C ATOM 320 CD1 PHE A 21 -0.428 7.704 -30.581 1.00 0.00 C ATOM 321 CD2 PHE A 21 1.601 7.264 -29.405 1.00 0.00 C ATOM 322 CE1 PHE A 21 0.242 8.570 -31.419 1.00 0.00 C ATOM 323 CE2 PHE A 21 2.276 8.131 -30.242 1.00 0.00 C ATOM 324 CZ PHE A 21 1.595 8.784 -31.250 1.00 0.00 C ATOM 0 H PHE A 21 -2.698 5.021 -29.846 1.00 0.00 H new ATOM 0 HA PHE A 21 0.195 4.397 -29.757 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.446 6.535 -28.386 1.00 0.00 H new ATOM 0 HB3 PHE A 21 0.084 5.993 -27.728 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.487 7.540 -30.718 1.00 0.00 H new ATOM 0 HD2 PHE A 21 2.137 6.755 -28.618 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -0.292 9.081 -32.207 1.00 0.00 H new ATOM 0 HE2 PHE A 21 3.335 8.298 -30.108 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.121 9.462 -31.906 1.00 0.00 H new ATOM 334 N THR A 22 -0.033 3.044 -27.639 1.00 0.00 N ATOM 335 CA THR A 22 -0.214 2.070 -26.578 1.00 0.00 C ATOM 336 C THR A 22 0.817 2.285 -25.480 1.00 0.00 C ATOM 337 O THR A 22 1.856 2.903 -25.707 1.00 0.00 O ATOM 338 CB THR A 22 -0.105 0.625 -27.111 1.00 0.00 C ATOM 339 OG1 THR A 22 1.115 0.467 -27.848 1.00 0.00 O ATOM 340 CG2 THR A 22 -1.291 0.276 -28.001 1.00 0.00 C ATOM 0 H THR A 22 0.933 3.156 -27.947 1.00 0.00 H new ATOM 0 HA THR A 22 -1.215 2.212 -26.171 1.00 0.00 H new ATOM 0 HB THR A 22 -0.107 -0.052 -26.257 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.179 -0.452 -28.182 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.187 -0.747 -28.361 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.214 0.367 -27.429 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.322 0.958 -28.850 1.00 0.00 H new ATOM 348 N TYR A 23 0.525 1.798 -24.288 1.00 0.00 N ATOM 349 CA TYR A 23 1.470 1.884 -23.190 1.00 0.00 C ATOM 350 C TYR A 23 1.417 0.601 -22.378 1.00 0.00 C ATOM 351 O TYR A 23 0.336 0.143 -22.011 1.00 0.00 O ATOM 352 CB TYR A 23 1.171 3.100 -22.308 1.00 0.00 C ATOM 353 CG TYR A 23 2.401 3.663 -21.630 1.00 0.00 C ATOM 354 CD1 TYR A 23 3.427 4.215 -22.384 1.00 0.00 C ATOM 355 CD2 TYR A 23 2.540 3.643 -20.249 1.00 0.00 C ATOM 356 CE1 TYR A 23 4.558 4.728 -21.785 1.00 0.00 C ATOM 357 CE2 TYR A 23 3.671 4.157 -19.640 1.00 0.00 C ATOM 358 CZ TYR A 23 4.676 4.700 -20.415 1.00 0.00 C ATOM 359 OH TYR A 23 5.806 5.217 -19.820 1.00 0.00 O ATOM 0 H TYR A 23 -0.356 1.340 -24.056 1.00 0.00 H new ATOM 0 HA TYR A 23 2.475 2.009 -23.593 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.712 3.878 -22.917 1.00 0.00 H new ATOM 0 HB3 TYR A 23 0.442 2.819 -21.548 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.338 4.243 -23.460 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.754 3.220 -19.641 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.348 5.150 -22.389 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.767 4.134 -18.565 1.00 0.00 H new ATOM 0 HH TYR A 23 5.975 6.118 -20.166 1.00 0.00 H new ATOM 369 N PRO A 24 2.583 -0.008 -22.119 1.00 0.00 N ATOM 370 CA PRO A 24 2.674 -1.296 -21.422 1.00 0.00 C ATOM 371 C PRO A 24 2.031 -1.282 -20.039 1.00 0.00 C ATOM 372 O PRO A 24 2.431 -0.520 -19.157 1.00 0.00 O ATOM 373 CB PRO A 24 4.183 -1.547 -21.302 1.00 0.00 C ATOM 374 CG PRO A 24 4.825 -0.224 -21.553 1.00 0.00 C ATOM 375 CD PRO A 24 3.910 0.504 -22.493 1.00 0.00 C ATOM 0 HA PRO A 24 2.138 -2.072 -21.969 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.441 -1.928 -20.314 1.00 0.00 H new ATOM 0 HB3 PRO A 24 4.517 -2.290 -22.027 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.953 0.331 -20.624 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.816 -0.347 -21.989 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.977 1.585 -22.367 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.147 0.290 -23.535 1.00 0.00 H new ATOM 383 N CYS A 25 1.031 -2.132 -19.871 1.00 0.00 N ATOM 384 CA CYS A 25 0.359 -2.309 -18.596 1.00 0.00 C ATOM 385 C CYS A 25 0.217 -3.797 -18.304 1.00 0.00 C ATOM 386 O CYS A 25 -0.155 -4.573 -19.189 1.00 0.00 O ATOM 387 CB CYS A 25 -1.018 -1.636 -18.623 1.00 0.00 C ATOM 388 SG CYS A 25 -2.084 -2.000 -17.187 1.00 0.00 S ATOM 0 H CYS A 25 0.662 -2.720 -20.618 1.00 0.00 H new ATOM 0 HA CYS A 25 0.951 -1.843 -17.808 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.877 -0.557 -18.687 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.538 -1.944 -19.530 1.00 0.00 H new ATOM 0 HG CYS A 25 -2.855 -3.009 -17.464 1.00 0.00 H new ATOM 393 N PRO A 26 0.579 -4.233 -17.088 1.00 0.00 N ATOM 394 CA PRO A 26 0.358 -5.602 -16.667 1.00 0.00 C ATOM 395 C PRO A 26 -1.048 -5.793 -16.099 1.00 0.00 C ATOM 396 O PRO A 26 -1.401 -5.214 -15.062 1.00 0.00 O ATOM 397 CB PRO A 26 1.420 -5.818 -15.571 1.00 0.00 C ATOM 398 CG PRO A 26 2.106 -4.494 -15.374 1.00 0.00 C ATOM 399 CD PRO A 26 1.256 -3.454 -16.054 1.00 0.00 C ATOM 0 HA PRO A 26 0.440 -6.310 -17.492 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.957 -6.157 -14.644 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.135 -6.585 -15.869 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.215 -4.270 -14.313 1.00 0.00 H new ATOM 0 HG3 PRO A 26 3.109 -4.512 -15.800 1.00 0.00 H new ATOM 0 HD2 PRO A 26 0.549 -2.992 -15.365 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.858 -2.651 -16.479 1.00 0.00 H new ATOM 407 N CYS A 27 -1.817 -6.646 -16.766 1.00 0.00 N ATOM 408 CA CYS A 27 -3.191 -6.946 -16.383 1.00 0.00 C ATOM 409 C CYS A 27 -3.754 -7.975 -17.355 1.00 0.00 C ATOM 410 O CYS A 27 -4.345 -8.981 -16.960 1.00 0.00 O ATOM 411 CB CYS A 27 -4.059 -5.674 -16.406 1.00 0.00 C ATOM 412 SG CYS A 27 -4.305 -4.962 -18.071 1.00 0.00 S ATOM 0 H CYS A 27 -1.502 -7.152 -17.594 1.00 0.00 H new ATOM 0 HA CYS A 27 -3.202 -7.341 -15.367 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.033 -5.905 -15.975 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.598 -4.922 -15.766 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.877 -3.800 -17.966 1.00 0.00 H new ATOM 417 N GLY A 28 -3.546 -7.702 -18.635 1.00 0.00 N ATOM 418 CA GLY A 28 -3.992 -8.583 -19.690 1.00 0.00 C ATOM 419 C GLY A 28 -3.890 -7.912 -21.045 1.00 0.00 C ATOM 420 O GLY A 28 -3.779 -8.578 -22.076 1.00 0.00 O ATOM 0 H GLY A 28 -3.065 -6.865 -18.965 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.391 -9.493 -19.686 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.024 -8.882 -19.506 1.00 0.00 H new ATOM 424 N ASP A 29 -3.943 -6.587 -21.037 1.00 0.00 N ATOM 425 CA ASP A 29 -3.801 -5.792 -22.249 1.00 0.00 C ATOM 426 C ASP A 29 -3.026 -4.519 -21.922 1.00 0.00 C ATOM 427 O ASP A 29 -2.646 -4.312 -20.773 1.00 0.00 O ATOM 428 CB ASP A 29 -5.163 -5.454 -22.858 1.00 0.00 C ATOM 429 CG ASP A 29 -5.108 -5.352 -24.376 1.00 0.00 C ATOM 430 OD1 ASP A 29 -4.359 -4.505 -24.904 1.00 0.00 O ATOM 431 OD2 ASP A 29 -5.813 -6.131 -25.052 1.00 0.00 O ATOM 0 H ASP A 29 -4.085 -6.034 -20.192 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.253 -6.374 -22.990 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.886 -6.219 -22.573 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.519 -4.510 -22.445 1.00 0.00 H new ATOM 436 N ARG A 30 -2.739 -3.709 -22.929 1.00 0.00 N ATOM 437 CA ARG A 30 -1.999 -2.466 -22.728 1.00 0.00 C ATOM 438 C ARG A 30 -2.853 -1.259 -23.112 1.00 0.00 C ATOM 439 O ARG A 30 -3.773 -1.380 -23.927 1.00 0.00 O ATOM 440 CB ARG A 30 -0.697 -2.495 -23.533 1.00 0.00 C ATOM 441 CG ARG A 30 -0.887 -2.856 -24.996 1.00 0.00 C ATOM 442 CD ARG A 30 0.300 -3.647 -25.522 1.00 0.00 C ATOM 443 NE ARG A 30 0.491 -4.888 -24.767 1.00 0.00 N ATOM 444 CZ ARG A 30 0.927 -6.032 -25.293 1.00 0.00 C ATOM 445 NH1 ARG A 30 1.285 -6.096 -26.572 1.00 0.00 N ATOM 446 NH2 ARG A 30 1.019 -7.108 -24.521 1.00 0.00 N ATOM 0 H ARG A 30 -3.006 -3.888 -23.897 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.750 -2.374 -21.671 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.220 -1.517 -23.469 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.015 -3.213 -23.077 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.799 -3.441 -25.114 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.012 -1.947 -25.585 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.146 -3.880 -26.576 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.202 -3.038 -25.459 1.00 0.00 H new ATOM 0 HE ARG A 30 0.275 -4.875 -23.770 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.227 -5.265 -27.160 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.617 -6.977 -26.965 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.757 -7.053 -23.537 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.351 -7.989 -24.912 1.00 0.00 H new ATOM 460 N PHE A 31 -2.546 -0.104 -22.510 1.00 0.00 N ATOM 461 CA PHE A 31 -3.289 1.136 -22.759 1.00 0.00 C ATOM 462 C PHE A 31 -3.467 1.385 -24.249 1.00 0.00 C ATOM 463 O PHE A 31 -2.507 1.314 -25.016 1.00 0.00 O ATOM 464 CB PHE A 31 -2.573 2.331 -22.123 1.00 0.00 C ATOM 465 CG PHE A 31 -2.570 2.317 -20.619 1.00 0.00 C ATOM 466 CD1 PHE A 31 -3.670 2.772 -19.908 1.00 0.00 C ATOM 467 CD2 PHE A 31 -1.467 1.857 -19.916 1.00 0.00 C ATOM 468 CE1 PHE A 31 -3.669 2.772 -18.527 1.00 0.00 C ATOM 469 CE2 PHE A 31 -1.462 1.853 -18.533 1.00 0.00 C ATOM 470 CZ PHE A 31 -2.563 2.311 -17.840 1.00 0.00 C ATOM 0 H PHE A 31 -1.782 -0.003 -21.842 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.274 1.023 -22.306 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.542 2.354 -22.477 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -3.048 3.250 -22.466 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -4.538 3.131 -20.441 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.602 1.498 -20.454 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.531 3.132 -17.985 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.597 1.492 -17.996 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.560 2.309 -16.760 1.00 0.00 H new ATOM 480 N GLN A 32 -4.692 1.686 -24.649 1.00 0.00 N ATOM 481 CA GLN A 32 -5.036 1.817 -26.055 1.00 0.00 C ATOM 482 C GLN A 32 -5.722 3.159 -26.329 1.00 0.00 C ATOM 483 O GLN A 32 -6.692 3.517 -25.654 1.00 0.00 O ATOM 484 CB GLN A 32 -5.952 0.655 -26.441 1.00 0.00 C ATOM 485 CG GLN A 32 -6.271 0.561 -27.923 1.00 0.00 C ATOM 486 CD GLN A 32 -7.194 -0.605 -28.240 1.00 0.00 C ATOM 487 OE1 GLN A 32 -7.984 -0.547 -29.181 1.00 0.00 O ATOM 488 NE2 GLN A 32 -7.106 -1.671 -27.453 1.00 0.00 N ATOM 0 H GLN A 32 -5.472 1.846 -24.012 1.00 0.00 H new ATOM 0 HA GLN A 32 -4.127 1.788 -26.656 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.485 -0.278 -26.124 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.886 0.748 -25.888 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.736 1.490 -28.252 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.344 0.452 -28.486 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -6.438 -1.682 -26.682 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -7.706 -2.479 -27.619 1.00 0.00 H new ATOM 497 N ILE A 33 -5.198 3.907 -27.297 1.00 0.00 N ATOM 498 CA ILE A 33 -5.792 5.179 -27.706 1.00 0.00 C ATOM 499 C ILE A 33 -5.540 5.429 -29.195 1.00 0.00 C ATOM 500 O ILE A 33 -4.439 5.195 -29.689 1.00 0.00 O ATOM 501 CB ILE A 33 -5.232 6.360 -26.877 1.00 0.00 C ATOM 502 CG1 ILE A 33 -5.895 7.676 -27.302 1.00 0.00 C ATOM 503 CG2 ILE A 33 -3.718 6.455 -27.015 1.00 0.00 C ATOM 504 CD1 ILE A 33 -5.415 8.876 -26.515 1.00 0.00 C ATOM 0 H ILE A 33 -4.358 3.653 -27.816 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.865 5.114 -27.525 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.464 6.177 -25.828 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -5.702 7.845 -28.361 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -6.975 7.584 -27.186 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.351 7.293 -26.423 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.262 5.531 -26.659 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.457 6.609 -28.062 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.926 9.771 -26.869 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.633 8.728 -25.457 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.340 8.994 -26.651 1.00 0.00 H new ATOM 516 N TYR A 34 -6.561 5.886 -29.908 1.00 0.00 N ATOM 517 CA TYR A 34 -6.443 6.137 -31.339 1.00 0.00 C ATOM 518 C TYR A 34 -6.196 7.613 -31.625 1.00 0.00 C ATOM 519 O TYR A 34 -6.694 8.488 -30.915 1.00 0.00 O ATOM 520 CB TYR A 34 -7.698 5.663 -32.073 1.00 0.00 C ATOM 521 CG TYR A 34 -7.854 4.162 -32.088 1.00 0.00 C ATOM 522 CD1 TYR A 34 -7.285 3.401 -33.100 1.00 0.00 C ATOM 523 CD2 TYR A 34 -8.563 3.506 -31.090 1.00 0.00 C ATOM 524 CE1 TYR A 34 -7.415 2.027 -33.117 1.00 0.00 C ATOM 525 CE2 TYR A 34 -8.699 2.132 -31.101 1.00 0.00 C ATOM 526 CZ TYR A 34 -8.124 1.398 -32.116 1.00 0.00 C ATOM 527 OH TYR A 34 -8.254 0.030 -32.129 1.00 0.00 O ATOM 0 H TYR A 34 -7.481 6.091 -29.519 1.00 0.00 H new ATOM 0 HA TYR A 34 -5.585 5.572 -31.703 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -8.575 6.107 -31.602 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.669 6.028 -33.100 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -6.732 3.892 -33.887 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -9.015 4.079 -30.294 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.964 1.448 -33.910 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -9.253 1.635 -30.318 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.153 -0.317 -31.218 1.00 0.00 H new ATOM 537 N LEU A 35 -5.436 7.879 -32.684 1.00 0.00 N ATOM 538 CA LEU A 35 -5.082 9.242 -33.060 1.00 0.00 C ATOM 539 C LEU A 35 -6.330 10.016 -33.485 1.00 0.00 C ATOM 540 O LEU A 35 -6.443 11.217 -33.235 1.00 0.00 O ATOM 541 CB LEU A 35 -4.050 9.212 -34.195 1.00 0.00 C ATOM 542 CG LEU A 35 -3.034 10.364 -34.215 1.00 0.00 C ATOM 543 CD1 LEU A 35 -3.697 11.686 -34.582 1.00 0.00 C ATOM 544 CD2 LEU A 35 -2.331 10.471 -32.869 1.00 0.00 C ATOM 0 H LEU A 35 -5.052 7.162 -33.300 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.645 9.749 -32.200 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.502 8.272 -34.135 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.585 9.209 -35.145 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.292 10.144 -34.982 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.949 12.479 -34.587 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.146 11.605 -35.572 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.470 11.921 -33.850 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.614 11.291 -32.897 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.067 10.660 -32.088 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.808 9.539 -32.657 1.00 0.00 H new ATOM 556 N ASP A 36 -7.274 9.311 -34.108 1.00 0.00 N ATOM 557 CA ASP A 36 -8.528 9.908 -34.546 1.00 0.00 C ATOM 558 C ASP A 36 -9.240 10.598 -33.384 1.00 0.00 C ATOM 559 O ASP A 36 -9.752 11.708 -33.526 1.00 0.00 O ATOM 560 CB ASP A 36 -9.433 8.832 -35.153 1.00 0.00 C ATOM 561 CG ASP A 36 -8.972 8.368 -36.523 1.00 0.00 C ATOM 562 OD1 ASP A 36 -8.061 7.517 -36.599 1.00 0.00 O ATOM 563 OD2 ASP A 36 -9.529 8.844 -37.533 1.00 0.00 O ATOM 0 H ASP A 36 -7.189 8.317 -34.321 1.00 0.00 H new ATOM 0 HA ASP A 36 -8.305 10.660 -35.303 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.471 7.976 -34.480 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.448 9.221 -35.231 1.00 0.00 H new ATOM 568 N ASP A 37 -9.241 9.941 -32.225 1.00 0.00 N ATOM 569 CA ASP A 37 -9.868 10.494 -31.023 1.00 0.00 C ATOM 570 C ASP A 37 -9.093 11.694 -30.509 1.00 0.00 C ATOM 571 O ASP A 37 -9.679 12.692 -30.096 1.00 0.00 O ATOM 572 CB ASP A 37 -9.952 9.442 -29.918 1.00 0.00 C ATOM 573 CG ASP A 37 -10.919 8.327 -30.244 1.00 0.00 C ATOM 574 OD1 ASP A 37 -12.139 8.527 -30.081 1.00 0.00 O ATOM 575 OD2 ASP A 37 -10.463 7.240 -30.660 1.00 0.00 O ATOM 0 H ASP A 37 -8.814 9.024 -32.092 1.00 0.00 H new ATOM 0 HA ASP A 37 -10.875 10.808 -31.297 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.961 9.020 -29.748 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -10.258 9.922 -28.988 1.00 0.00 H new ATOM 580 N MET A 38 -7.772 11.592 -30.551 1.00 0.00 N ATOM 581 CA MET A 38 -6.900 12.657 -30.062 1.00 0.00 C ATOM 582 C MET A 38 -7.086 13.920 -30.897 1.00 0.00 C ATOM 583 O MET A 38 -6.968 15.037 -30.395 1.00 0.00 O ATOM 584 CB MET A 38 -5.435 12.210 -30.101 1.00 0.00 C ATOM 585 CG MET A 38 -5.194 10.876 -29.411 1.00 0.00 C ATOM 586 SD MET A 38 -3.468 10.360 -29.453 1.00 0.00 S ATOM 587 CE MET A 38 -2.727 11.557 -28.348 1.00 0.00 C ATOM 0 H MET A 38 -7.277 10.780 -30.920 1.00 0.00 H new ATOM 0 HA MET A 38 -7.170 12.877 -29.029 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.112 12.137 -31.140 1.00 0.00 H new ATOM 0 HB3 MET A 38 -4.817 12.973 -29.628 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.521 10.946 -28.374 1.00 0.00 H new ATOM 0 HG3 MET A 38 -5.807 10.111 -29.887 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.694 11.274 -28.145 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.749 12.543 -28.812 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.286 11.584 -27.413 1.00 0.00 H new ATOM 597 N PHE A 39 -7.403 13.729 -32.171 1.00 0.00 N ATOM 598 CA PHE A 39 -7.635 14.837 -33.085 1.00 0.00 C ATOM 599 C PHE A 39 -8.971 15.514 -32.782 1.00 0.00 C ATOM 600 O PHE A 39 -9.188 16.672 -33.137 1.00 0.00 O ATOM 601 CB PHE A 39 -7.604 14.336 -34.535 1.00 0.00 C ATOM 602 CG PHE A 39 -7.786 15.421 -35.561 1.00 0.00 C ATOM 603 CD1 PHE A 39 -6.760 16.310 -35.837 1.00 0.00 C ATOM 604 CD2 PHE A 39 -8.986 15.550 -36.247 1.00 0.00 C ATOM 605 CE1 PHE A 39 -6.924 17.309 -36.779 1.00 0.00 C ATOM 606 CE2 PHE A 39 -9.154 16.547 -37.190 1.00 0.00 C ATOM 607 CZ PHE A 39 -8.123 17.427 -37.456 1.00 0.00 C ATOM 0 H PHE A 39 -7.506 12.808 -32.597 1.00 0.00 H new ATOM 0 HA PHE A 39 -6.842 15.573 -32.950 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -6.653 13.835 -34.715 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -8.387 13.590 -34.668 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -5.821 16.222 -35.310 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.796 14.865 -36.042 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -6.116 17.996 -36.985 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.091 16.638 -37.719 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.254 18.206 -38.192 1.00 0.00 H new ATOM 617 N GLU A 40 -9.858 14.786 -32.110 1.00 0.00 N ATOM 618 CA GLU A 40 -11.165 15.313 -31.752 1.00 0.00 C ATOM 619 C GLU A 40 -11.078 16.222 -30.531 1.00 0.00 C ATOM 620 O GLU A 40 -12.058 16.869 -30.153 1.00 0.00 O ATOM 621 CB GLU A 40 -12.146 14.171 -31.494 1.00 0.00 C ATOM 622 CG GLU A 40 -12.582 13.450 -32.758 1.00 0.00 C ATOM 623 CD GLU A 40 -13.728 12.487 -32.518 1.00 0.00 C ATOM 624 OE1 GLU A 40 -14.878 12.954 -32.381 1.00 0.00 O ATOM 625 OE2 GLU A 40 -13.490 11.261 -32.466 1.00 0.00 O ATOM 0 H GLU A 40 -9.692 13.828 -31.803 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.528 15.908 -32.590 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.685 13.453 -30.816 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.027 14.566 -30.988 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.881 14.185 -33.505 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.734 12.903 -33.170 1.00 0.00 H new ATOM 632 N GLY A 41 -9.903 16.277 -29.921 1.00 0.00 N ATOM 633 CA GLY A 41 -9.695 17.163 -28.796 1.00 0.00 C ATOM 634 C GLY A 41 -9.585 16.430 -27.475 1.00 0.00 C ATOM 635 O GLY A 41 -9.078 16.983 -26.496 1.00 0.00 O ATOM 0 H GLY A 41 -9.089 15.722 -30.186 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.786 17.742 -28.960 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.520 17.873 -28.743 1.00 0.00 H new ATOM 639 N GLU A 42 -10.047 15.189 -27.437 1.00 0.00 N ATOM 640 CA GLU A 42 -9.970 14.403 -26.215 1.00 0.00 C ATOM 641 C GLU A 42 -8.712 13.549 -26.235 1.00 0.00 C ATOM 642 O GLU A 42 -8.380 12.937 -27.251 1.00 0.00 O ATOM 643 CB GLU A 42 -11.215 13.526 -26.038 1.00 0.00 C ATOM 644 CG GLU A 42 -11.278 12.838 -24.682 1.00 0.00 C ATOM 645 CD GLU A 42 -12.601 12.140 -24.433 1.00 0.00 C ATOM 646 OE1 GLU A 42 -13.570 12.816 -24.022 1.00 0.00 O ATOM 647 OE2 GLU A 42 -12.680 10.910 -24.628 1.00 0.00 O ATOM 0 H GLU A 42 -10.475 14.709 -28.229 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.927 15.086 -25.366 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -12.106 14.141 -26.168 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.233 12.770 -26.823 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.470 12.109 -24.612 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.110 13.576 -23.898 1.00 0.00 H new ATOM 654 N LYS A 43 -8.003 13.526 -25.117 1.00 0.00 N ATOM 655 CA LYS A 43 -6.753 12.794 -25.028 1.00 0.00 C ATOM 656 C LYS A 43 -6.701 11.955 -23.756 1.00 0.00 C ATOM 657 O LYS A 43 -6.423 12.455 -22.662 1.00 0.00 O ATOM 658 CB LYS A 43 -5.549 13.752 -25.099 1.00 0.00 C ATOM 659 CG LYS A 43 -5.550 14.882 -24.071 1.00 0.00 C ATOM 660 CD LYS A 43 -6.526 15.992 -24.432 1.00 0.00 C ATOM 661 CE LYS A 43 -6.522 17.094 -23.389 1.00 0.00 C ATOM 662 NZ LYS A 43 -7.506 18.162 -23.701 1.00 0.00 N ATOM 0 H LYS A 43 -8.274 14.007 -24.259 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.700 12.118 -25.881 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.636 13.170 -24.974 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.514 14.191 -26.096 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.808 14.479 -23.092 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.545 15.297 -23.990 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.262 16.408 -25.404 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -7.531 15.579 -24.524 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.748 16.668 -22.411 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.524 17.528 -23.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.470 18.894 -22.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.277 18.587 -24.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.462 17.754 -23.737 1.00 0.00 H new ATOM 676 N VAL A 44 -6.959 10.672 -23.915 1.00 0.00 N ATOM 677 CA VAL A 44 -6.971 9.744 -22.803 1.00 0.00 C ATOM 678 C VAL A 44 -6.943 8.315 -23.326 1.00 0.00 C ATOM 679 O VAL A 44 -7.731 7.946 -24.195 1.00 0.00 O ATOM 680 CB VAL A 44 -8.205 9.969 -21.885 1.00 0.00 C ATOM 681 CG1 VAL A 44 -9.466 10.175 -22.706 1.00 0.00 C ATOM 682 CG2 VAL A 44 -8.388 8.810 -20.919 1.00 0.00 C ATOM 0 H VAL A 44 -7.166 10.244 -24.818 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.081 9.922 -22.199 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.021 10.873 -21.304 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -10.314 10.330 -22.038 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.344 11.048 -23.347 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -9.646 9.295 -23.323 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.258 8.995 -20.290 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.536 7.888 -21.481 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -7.501 8.715 -20.293 1.00 0.00 H new ATOM 692 N ALA A 45 -6.016 7.524 -22.816 1.00 0.00 N ATOM 693 CA ALA A 45 -5.883 6.148 -23.247 1.00 0.00 C ATOM 694 C ALA A 45 -6.538 5.225 -22.242 1.00 0.00 C ATOM 695 O ALA A 45 -6.385 5.398 -21.030 1.00 0.00 O ATOM 696 CB ALA A 45 -4.419 5.784 -23.432 1.00 0.00 C ATOM 0 H ALA A 45 -5.346 7.813 -22.103 1.00 0.00 H new ATOM 0 HA ALA A 45 -6.385 6.033 -24.208 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -4.340 4.746 -23.756 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.975 6.434 -24.186 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.890 5.910 -22.487 1.00 0.00 H new ATOM 702 N VAL A 46 -7.284 4.262 -22.749 1.00 0.00 N ATOM 703 CA VAL A 46 -7.951 3.291 -21.902 1.00 0.00 C ATOM 704 C VAL A 46 -7.302 1.937 -22.054 1.00 0.00 C ATOM 705 O VAL A 46 -7.004 1.502 -23.165 1.00 0.00 O ATOM 706 CB VAL A 46 -9.457 3.179 -22.225 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.690 2.877 -23.701 1.00 0.00 C ATOM 708 CG2 VAL A 46 -10.132 2.127 -21.350 1.00 0.00 C ATOM 0 H VAL A 46 -7.444 4.131 -23.748 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.853 3.637 -20.873 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.908 4.147 -22.005 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.761 2.805 -23.893 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.266 3.677 -24.307 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.211 1.933 -23.959 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -11.191 2.071 -21.600 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.666 1.157 -21.523 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.021 2.401 -20.301 1.00 0.00 H new ATOM 718 N CYS A 47 -7.054 1.289 -20.943 1.00 0.00 N ATOM 719 CA CYS A 47 -6.515 -0.038 -20.979 1.00 0.00 C ATOM 720 C CYS A 47 -7.619 -1.051 -20.733 1.00 0.00 C ATOM 721 O CYS A 47 -8.274 -1.026 -19.690 1.00 0.00 O ATOM 722 CB CYS A 47 -5.406 -0.201 -19.942 1.00 0.00 C ATOM 723 SG CYS A 47 -4.447 -1.742 -20.104 1.00 0.00 S ATOM 0 H CYS A 47 -7.218 1.661 -20.008 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.086 -0.211 -21.966 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.725 0.647 -20.019 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -5.848 -0.165 -18.946 1.00 0.00 H new ATOM 0 HG CYS A 47 -3.653 -1.869 -19.082 1.00 0.00 H new ATOM 728 N PRO A 48 -7.871 -1.925 -21.709 1.00 0.00 N ATOM 729 CA PRO A 48 -8.799 -3.032 -21.543 1.00 0.00 C ATOM 730 C PRO A 48 -8.287 -4.025 -20.502 1.00 0.00 C ATOM 731 O PRO A 48 -7.092 -4.060 -20.213 1.00 0.00 O ATOM 732 CB PRO A 48 -8.870 -3.673 -22.933 1.00 0.00 C ATOM 733 CG PRO A 48 -7.642 -3.219 -23.642 1.00 0.00 C ATOM 734 CD PRO A 48 -7.267 -1.890 -23.051 1.00 0.00 C ATOM 0 HA PRO A 48 -9.776 -2.708 -21.185 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -8.904 -4.760 -22.863 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -9.769 -3.360 -23.464 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -6.834 -3.940 -23.516 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -7.825 -3.128 -24.713 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -6.185 -1.764 -23.001 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -7.657 -1.063 -23.645 1.00 0.00 H new ATOM 742 N SER A 49 -9.215 -4.784 -19.916 1.00 0.00 N ATOM 743 CA SER A 49 -8.912 -5.801 -18.908 1.00 0.00 C ATOM 744 C SER A 49 -8.877 -5.191 -17.506 1.00 0.00 C ATOM 745 O SER A 49 -9.621 -5.627 -16.623 1.00 0.00 O ATOM 746 CB SER A 49 -7.607 -6.553 -19.219 1.00 0.00 C ATOM 747 OG SER A 49 -7.271 -7.466 -18.190 1.00 0.00 O ATOM 0 H SER A 49 -10.209 -4.709 -20.131 1.00 0.00 H new ATOM 0 HA SER A 49 -9.718 -6.534 -18.939 1.00 0.00 H new ATOM 0 HB2 SER A 49 -7.712 -7.090 -20.162 1.00 0.00 H new ATOM 0 HB3 SER A 49 -6.796 -5.836 -19.349 1.00 0.00 H new ATOM 0 HG SER A 49 -6.318 -7.686 -18.247 1.00 0.00 H new ATOM 753 N CYS A 50 -8.039 -4.186 -17.290 1.00 0.00 N ATOM 754 CA CYS A 50 -8.001 -3.529 -15.990 1.00 0.00 C ATOM 755 C CYS A 50 -8.934 -2.318 -15.985 1.00 0.00 C ATOM 756 O CYS A 50 -9.461 -1.934 -14.939 1.00 0.00 O ATOM 757 CB CYS A 50 -6.569 -3.127 -15.617 1.00 0.00 C ATOM 758 SG CYS A 50 -5.857 -1.793 -16.633 1.00 0.00 S ATOM 0 H CYS A 50 -7.389 -3.814 -17.982 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.349 -4.234 -15.235 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -6.555 -2.815 -14.573 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -5.928 -4.005 -15.696 1.00 0.00 H new ATOM 0 HG CYS A 50 -4.578 -1.984 -16.765 1.00 0.00 H new ATOM 763 N SER A 51 -9.145 -1.749 -17.174 1.00 0.00 N ATOM 764 CA SER A 51 -10.049 -0.615 -17.370 1.00 0.00 C ATOM 765 C SER A 51 -9.473 0.657 -16.746 1.00 0.00 C ATOM 766 O SER A 51 -10.190 1.436 -16.110 1.00 0.00 O ATOM 767 CB SER A 51 -11.444 -0.930 -16.800 1.00 0.00 C ATOM 768 OG SER A 51 -12.372 0.108 -17.083 1.00 0.00 O ATOM 0 H SER A 51 -8.691 -2.064 -18.031 1.00 0.00 H new ATOM 0 HA SER A 51 -10.153 -0.441 -18.441 1.00 0.00 H new ATOM 0 HB2 SER A 51 -11.806 -1.868 -17.221 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.373 -1.071 -15.722 1.00 0.00 H new ATOM 0 HG SER A 51 -11.947 0.978 -16.929 1.00 0.00 H new ATOM 774 N LEU A 52 -8.183 0.886 -16.965 1.00 0.00 N ATOM 775 CA LEU A 52 -7.511 2.046 -16.417 1.00 0.00 C ATOM 776 C LEU A 52 -7.366 3.097 -17.506 1.00 0.00 C ATOM 777 O LEU A 52 -7.041 2.782 -18.649 1.00 0.00 O ATOM 778 CB LEU A 52 -6.143 1.641 -15.860 1.00 0.00 C ATOM 779 CG LEU A 52 -5.637 2.451 -14.656 1.00 0.00 C ATOM 780 CD1 LEU A 52 -4.433 1.766 -14.031 1.00 0.00 C ATOM 781 CD2 LEU A 52 -5.275 3.874 -15.055 1.00 0.00 C ATOM 0 H LEU A 52 -7.584 0.277 -17.522 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.098 2.464 -15.599 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.187 0.590 -15.573 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.409 1.722 -16.661 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.444 2.500 -13.925 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.084 2.350 -13.179 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.716 0.768 -13.696 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.635 1.688 -14.769 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.921 4.418 -14.180 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.490 3.851 -15.810 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.155 4.373 -15.461 1.00 0.00 H new ATOM 793 N MET A 53 -7.643 4.338 -17.157 1.00 0.00 N ATOM 794 CA MET A 53 -7.589 5.439 -18.113 1.00 0.00 C ATOM 795 C MET A 53 -6.672 6.548 -17.620 1.00 0.00 C ATOM 796 O MET A 53 -6.676 6.889 -16.434 1.00 0.00 O ATOM 797 CB MET A 53 -8.993 5.993 -18.352 1.00 0.00 C ATOM 798 CG MET A 53 -9.918 5.012 -19.052 1.00 0.00 C ATOM 799 SD MET A 53 -11.656 5.474 -18.919 1.00 0.00 S ATOM 800 CE MET A 53 -11.879 5.371 -17.143 1.00 0.00 C ATOM 0 H MET A 53 -7.910 4.616 -16.213 1.00 0.00 H new ATOM 0 HA MET A 53 -7.187 5.055 -19.051 1.00 0.00 H new ATOM 0 HB2 MET A 53 -9.432 6.275 -17.395 1.00 0.00 H new ATOM 0 HB3 MET A 53 -8.920 6.902 -18.949 1.00 0.00 H new ATOM 0 HG2 MET A 53 -9.643 4.949 -20.105 1.00 0.00 H new ATOM 0 HG3 MET A 53 -9.777 4.019 -18.625 1.00 0.00 H new ATOM 0 HE1 MET A 53 -12.910 5.097 -16.921 1.00 0.00 H new ATOM 0 HE2 MET A 53 -11.207 4.616 -16.735 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.655 6.337 -16.692 1.00 0.00 H new ATOM 810 N ILE A 54 -5.882 7.101 -18.531 1.00 0.00 N ATOM 811 CA ILE A 54 -4.967 8.191 -18.207 1.00 0.00 C ATOM 812 C ILE A 54 -4.953 9.211 -19.342 1.00 0.00 C ATOM 813 O ILE A 54 -5.259 8.871 -20.484 1.00 0.00 O ATOM 814 CB ILE A 54 -3.514 7.698 -17.949 1.00 0.00 C ATOM 815 CG1 ILE A 54 -2.757 7.431 -19.259 1.00 0.00 C ATOM 816 CG2 ILE A 54 -3.510 6.448 -17.078 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.312 6.297 -20.088 1.00 0.00 C ATOM 0 H ILE A 54 -5.856 6.811 -19.508 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.331 8.646 -17.286 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.996 8.498 -17.421 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.766 8.340 -19.860 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.715 7.215 -19.023 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.483 6.123 -16.912 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.979 6.671 -16.120 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.065 5.654 -17.578 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.715 6.182 -20.993 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.278 5.373 -19.510 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.344 6.517 -20.360 1.00 0.00 H new ATOM 829 N ASP A 55 -4.604 10.450 -19.034 1.00 0.00 N ATOM 830 CA ASP A 55 -4.544 11.493 -20.053 1.00 0.00 C ATOM 831 C ASP A 55 -3.234 11.399 -20.823 1.00 0.00 C ATOM 832 O ASP A 55 -2.261 10.816 -20.342 1.00 0.00 O ATOM 833 CB ASP A 55 -4.660 12.888 -19.435 1.00 0.00 C ATOM 834 CG ASP A 55 -6.053 13.224 -18.944 1.00 0.00 C ATOM 835 OD1 ASP A 55 -6.927 13.555 -19.774 1.00 0.00 O ATOM 836 OD2 ASP A 55 -6.276 13.193 -17.716 1.00 0.00 O ATOM 0 H ASP A 55 -4.359 10.760 -18.094 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.386 11.340 -20.728 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.962 12.965 -18.601 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.357 13.629 -20.174 1.00 0.00 H new ATOM 841 N VAL A 56 -3.213 11.971 -22.016 1.00 0.00 N ATOM 842 CA VAL A 56 -2.009 11.971 -22.841 1.00 0.00 C ATOM 843 C VAL A 56 -1.710 13.377 -23.361 1.00 0.00 C ATOM 844 O VAL A 56 -2.566 14.018 -23.969 1.00 0.00 O ATOM 845 CB VAL A 56 -2.148 11.007 -24.038 1.00 0.00 C ATOM 846 CG1 VAL A 56 -0.861 10.962 -24.854 1.00 0.00 C ATOM 847 CG2 VAL A 56 -2.545 9.612 -23.574 1.00 0.00 C ATOM 0 H VAL A 56 -4.014 12.442 -22.437 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.186 11.633 -22.211 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.943 11.386 -24.681 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.985 10.276 -25.692 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.635 11.959 -25.232 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.041 10.619 -24.222 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.636 8.953 -24.438 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.783 9.222 -22.899 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.501 9.660 -23.052 1.00 0.00 H new ATOM 857 N VAL A 57 -0.496 13.854 -23.122 1.00 0.00 N ATOM 858 CA VAL A 57 -0.104 15.188 -23.559 1.00 0.00 C ATOM 859 C VAL A 57 0.440 15.149 -24.984 1.00 0.00 C ATOM 860 O VAL A 57 1.584 14.751 -25.218 1.00 0.00 O ATOM 861 CB VAL A 57 0.953 15.810 -22.626 1.00 0.00 C ATOM 862 CG1 VAL A 57 1.266 17.238 -23.045 1.00 0.00 C ATOM 863 CG2 VAL A 57 0.481 15.773 -21.182 1.00 0.00 C ATOM 0 H VAL A 57 0.233 13.339 -22.629 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.999 15.809 -23.526 1.00 0.00 H new ATOM 0 HB VAL A 57 1.866 15.220 -22.706 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.014 17.659 -22.373 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.651 17.242 -24.065 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.358 17.839 -22.998 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.241 16.217 -20.539 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.447 16.336 -21.088 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.310 14.739 -20.881 1.00 0.00 H new ATOM 873 N PHE A 58 -0.394 15.554 -25.929 1.00 0.00 N ATOM 874 CA PHE A 58 -0.036 15.543 -27.344 1.00 0.00 C ATOM 875 C PHE A 58 0.267 16.957 -27.827 1.00 0.00 C ATOM 876 O PHE A 58 -0.077 17.931 -27.157 1.00 0.00 O ATOM 877 CB PHE A 58 -1.177 14.950 -28.180 1.00 0.00 C ATOM 878 CG PHE A 58 -2.416 15.806 -28.213 1.00 0.00 C ATOM 879 CD1 PHE A 58 -3.374 15.705 -27.218 1.00 0.00 C ATOM 880 CD2 PHE A 58 -2.622 16.712 -29.243 1.00 0.00 C ATOM 881 CE1 PHE A 58 -4.511 16.492 -27.249 1.00 0.00 C ATOM 882 CE2 PHE A 58 -3.756 17.500 -29.278 1.00 0.00 C ATOM 883 CZ PHE A 58 -4.701 17.389 -28.279 1.00 0.00 C ATOM 0 H PHE A 58 -1.335 15.899 -25.741 1.00 0.00 H new ATOM 0 HA PHE A 58 0.854 14.926 -27.465 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.825 14.797 -29.200 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -1.435 13.969 -27.781 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.232 15.004 -26.409 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.886 16.803 -30.028 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -5.250 16.404 -26.466 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -3.903 18.202 -30.086 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.589 18.004 -28.304 1.00 0.00 H new ATOM 893 N ASP A 59 0.901 17.068 -28.988 1.00 0.00 N ATOM 894 CA ASP A 59 1.157 18.370 -29.586 1.00 0.00 C ATOM 895 C ASP A 59 0.679 18.403 -31.024 1.00 0.00 C ATOM 896 O ASP A 59 0.525 17.364 -31.663 1.00 0.00 O ATOM 897 CB ASP A 59 2.639 18.727 -29.555 1.00 0.00 C ATOM 898 CG ASP A 59 2.857 20.194 -29.860 1.00 0.00 C ATOM 899 OD1 ASP A 59 2.492 21.040 -29.015 1.00 0.00 O ATOM 900 OD2 ASP A 59 3.348 20.509 -30.962 1.00 0.00 O ATOM 0 H ASP A 59 1.245 16.276 -29.531 1.00 0.00 H new ATOM 0 HA ASP A 59 0.607 19.101 -28.994 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.052 18.492 -28.574 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.177 18.118 -30.281 1.00 0.00 H new ATOM 905 N LYS A 60 0.469 19.611 -31.522 1.00 0.00 N ATOM 906 CA LYS A 60 0.066 19.839 -32.901 1.00 0.00 C ATOM 907 C LYS A 60 1.126 19.278 -33.837 1.00 0.00 C ATOM 908 O LYS A 60 0.829 18.533 -34.774 1.00 0.00 O ATOM 909 CB LYS A 60 -0.093 21.343 -33.156 1.00 0.00 C ATOM 910 CG LYS A 60 -0.764 22.102 -32.016 1.00 0.00 C ATOM 911 CD LYS A 60 0.252 22.513 -30.958 1.00 0.00 C ATOM 912 CE LYS A 60 -0.392 22.745 -29.605 1.00 0.00 C ATOM 913 NZ LYS A 60 0.629 22.971 -28.551 1.00 0.00 N ATOM 0 H LYS A 60 0.574 20.467 -30.977 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.886 19.341 -33.083 1.00 0.00 H new ATOM 0 HB2 LYS A 60 0.891 21.776 -33.336 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.676 21.486 -34.066 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.263 22.988 -32.409 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -1.534 21.477 -31.562 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.014 21.739 -30.868 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.759 23.423 -31.278 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -1.057 23.607 -29.660 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.006 21.884 -29.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.159 23.076 -27.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.279 22.160 -28.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.165 23.836 -28.767 1.00 0.00 H new ATOM 927 N GLU A 61 2.370 19.614 -33.533 1.00 0.00 N ATOM 928 CA GLU A 61 3.504 19.206 -34.345 1.00 0.00 C ATOM 929 C GLU A 61 3.712 17.704 -34.252 1.00 0.00 C ATOM 930 O GLU A 61 4.066 17.048 -35.236 1.00 0.00 O ATOM 931 CB GLU A 61 4.764 19.935 -33.879 1.00 0.00 C ATOM 932 CG GLU A 61 4.733 21.436 -34.111 1.00 0.00 C ATOM 933 CD GLU A 61 5.130 21.818 -35.521 1.00 0.00 C ATOM 934 OE1 GLU A 61 4.479 21.356 -36.480 1.00 0.00 O ATOM 935 OE2 GLU A 61 6.114 22.571 -35.677 1.00 0.00 O ATOM 0 H GLU A 61 2.621 20.175 -32.719 1.00 0.00 H new ATOM 0 HA GLU A 61 3.301 19.465 -35.384 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.908 19.745 -32.815 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.626 19.516 -34.397 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.730 21.810 -33.906 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.405 21.923 -33.404 1.00 0.00 H new ATOM 942 N ASP A 62 3.480 17.161 -33.062 1.00 0.00 N ATOM 943 CA ASP A 62 3.681 15.740 -32.826 1.00 0.00 C ATOM 944 C ASP A 62 2.626 14.918 -33.563 1.00 0.00 C ATOM 945 O ASP A 62 2.935 13.877 -34.152 1.00 0.00 O ATOM 946 CB ASP A 62 3.635 15.438 -31.331 1.00 0.00 C ATOM 947 CG ASP A 62 4.446 14.213 -30.968 1.00 0.00 C ATOM 948 OD1 ASP A 62 3.970 13.088 -31.201 1.00 0.00 O ATOM 949 OD2 ASP A 62 5.567 14.382 -30.438 1.00 0.00 O ATOM 0 H ASP A 62 3.153 17.683 -32.249 1.00 0.00 H new ATOM 0 HA ASP A 62 4.664 15.465 -33.209 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.012 16.298 -30.777 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.600 15.290 -31.024 1.00 0.00 H new ATOM 954 N LEU A 63 1.382 15.400 -33.547 1.00 0.00 N ATOM 955 CA LEU A 63 0.297 14.741 -34.268 1.00 0.00 C ATOM 956 C LEU A 63 0.583 14.712 -35.763 1.00 0.00 C ATOM 957 O LEU A 63 0.408 13.684 -36.413 1.00 0.00 O ATOM 958 CB LEU A 63 -1.047 15.440 -34.025 1.00 0.00 C ATOM 959 CG LEU A 63 -1.596 15.364 -32.597 1.00 0.00 C ATOM 960 CD1 LEU A 63 -2.999 15.950 -32.547 1.00 0.00 C ATOM 961 CD2 LEU A 63 -1.599 13.928 -32.094 1.00 0.00 C ATOM 0 H LEU A 63 1.104 16.242 -33.043 1.00 0.00 H new ATOM 0 HA LEU A 63 0.234 13.721 -33.889 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.942 16.490 -34.297 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.786 15.008 -34.700 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.947 15.948 -31.944 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.382 15.892 -31.528 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.969 16.992 -32.865 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.653 15.386 -33.213 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.993 13.899 -31.078 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.225 13.316 -32.744 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.581 13.538 -32.100 1.00 0.00 H new ATOM 973 N ALA A 64 1.036 15.841 -36.299 1.00 0.00 N ATOM 974 CA ALA A 64 1.347 15.950 -37.720 1.00 0.00 C ATOM 975 C ALA A 64 2.469 14.990 -38.108 1.00 0.00 C ATOM 976 O ALA A 64 2.475 14.436 -39.210 1.00 0.00 O ATOM 977 CB ALA A 64 1.727 17.383 -38.063 1.00 0.00 C ATOM 0 H ALA A 64 1.196 16.697 -35.768 1.00 0.00 H new ATOM 0 HA ALA A 64 0.459 15.676 -38.289 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.957 17.454 -39.126 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.895 18.046 -37.827 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.601 17.677 -37.482 1.00 0.00 H new ATOM 983 N GLU A 65 3.407 14.786 -37.185 1.00 0.00 N ATOM 984 CA GLU A 65 4.524 13.876 -37.410 1.00 0.00 C ATOM 985 C GLU A 65 4.004 12.449 -37.553 1.00 0.00 C ATOM 986 O GLU A 65 4.252 11.777 -38.555 1.00 0.00 O ATOM 987 CB GLU A 65 5.500 13.950 -36.231 1.00 0.00 C ATOM 988 CG GLU A 65 6.865 13.347 -36.520 1.00 0.00 C ATOM 989 CD GLU A 65 7.759 14.298 -37.284 1.00 0.00 C ATOM 990 OE1 GLU A 65 7.362 14.741 -38.380 1.00 0.00 O ATOM 991 OE2 GLU A 65 8.846 14.641 -36.773 1.00 0.00 O ATOM 0 H GLU A 65 3.414 15.241 -36.272 1.00 0.00 H new ATOM 0 HA GLU A 65 5.042 14.166 -38.324 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.629 14.994 -35.944 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.061 13.436 -35.376 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.346 13.074 -35.581 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.741 12.428 -37.093 1.00 0.00 H new ATOM 998 N TYR A 66 3.240 12.019 -36.556 1.00 0.00 N ATOM 999 CA TYR A 66 2.689 10.671 -36.524 1.00 0.00 C ATOM 1000 C TYR A 66 1.700 10.472 -37.669 1.00 0.00 C ATOM 1001 O TYR A 66 1.591 9.380 -38.227 1.00 0.00 O ATOM 1002 CB TYR A 66 2.009 10.412 -35.178 1.00 0.00 C ATOM 1003 CG TYR A 66 1.508 8.997 -35.021 1.00 0.00 C ATOM 1004 CD1 TYR A 66 2.393 7.951 -34.801 1.00 0.00 C ATOM 1005 CD2 TYR A 66 0.152 8.706 -35.094 1.00 0.00 C ATOM 1006 CE1 TYR A 66 1.941 6.654 -34.661 1.00 0.00 C ATOM 1007 CE2 TYR A 66 -0.306 7.413 -34.954 1.00 0.00 C ATOM 1008 CZ TYR A 66 0.592 6.392 -34.737 1.00 0.00 C ATOM 1009 OH TYR A 66 0.137 5.105 -34.605 1.00 0.00 O ATOM 0 H TYR A 66 2.986 12.592 -35.751 1.00 0.00 H new ATOM 0 HA TYR A 66 3.504 9.957 -36.646 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.713 10.631 -34.376 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.172 11.101 -35.064 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.452 8.155 -34.738 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.555 9.505 -35.263 1.00 0.00 H new ATOM 0 HE1 TYR A 66 2.642 5.850 -34.493 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.364 7.202 -35.014 1.00 0.00 H new ATOM 0 HH TYR A 66 -0.037 4.915 -33.659 1.00 0.00 H new ATOM 1019 N TYR A 67 0.977 11.539 -38.003 1.00 0.00 N ATOM 1020 CA TYR A 67 0.033 11.529 -39.118 1.00 0.00 C ATOM 1021 C TYR A 67 0.691 11.013 -40.391 1.00 0.00 C ATOM 1022 O TYR A 67 0.143 10.146 -41.077 1.00 0.00 O ATOM 1023 CB TYR A 67 -0.531 12.942 -39.331 1.00 0.00 C ATOM 1024 CG TYR A 67 -1.055 13.215 -40.725 1.00 0.00 C ATOM 1025 CD1 TYR A 67 -2.232 12.638 -41.179 1.00 0.00 C ATOM 1026 CD2 TYR A 67 -0.357 14.053 -41.585 1.00 0.00 C ATOM 1027 CE1 TYR A 67 -2.702 12.894 -42.453 1.00 0.00 C ATOM 1028 CE2 TYR A 67 -0.821 14.315 -42.858 1.00 0.00 C ATOM 1029 CZ TYR A 67 -1.989 13.731 -43.289 1.00 0.00 C ATOM 1030 OH TYR A 67 -2.454 13.993 -44.558 1.00 0.00 O ATOM 0 H TYR A 67 1.029 12.431 -37.511 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.786 10.852 -38.875 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.337 13.107 -38.617 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.250 13.667 -39.103 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.788 11.980 -40.528 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.564 14.507 -41.252 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.622 12.442 -42.793 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.270 14.975 -43.512 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.835 14.601 -45.014 1.00 0.00 H new ATOM 1040 N GLU A 68 1.871 11.527 -40.684 1.00 0.00 N ATOM 1041 CA GLU A 68 2.598 11.129 -41.872 1.00 0.00 C ATOM 1042 C GLU A 68 3.148 9.715 -41.732 1.00 0.00 C ATOM 1043 O GLU A 68 3.015 8.898 -42.641 1.00 0.00 O ATOM 1044 CB GLU A 68 3.733 12.119 -42.137 1.00 0.00 C ATOM 1045 CG GLU A 68 3.257 13.448 -42.694 1.00 0.00 C ATOM 1046 CD GLU A 68 2.767 13.342 -44.125 1.00 0.00 C ATOM 1047 OE1 GLU A 68 1.739 12.675 -44.369 1.00 0.00 O ATOM 1048 OE2 GLU A 68 3.407 13.936 -45.018 1.00 0.00 O ATOM 0 H GLU A 68 2.347 12.224 -40.112 1.00 0.00 H new ATOM 0 HA GLU A 68 1.910 11.136 -42.717 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.275 12.296 -41.208 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.439 11.672 -42.837 1.00 0.00 H new ATOM 0 HG2 GLU A 68 2.453 13.833 -42.067 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.072 14.170 -42.646 1.00 0.00 H new ATOM 1055 N GLU A 69 3.737 9.427 -40.577 1.00 0.00 N ATOM 1056 CA GLU A 69 4.395 8.143 -40.345 1.00 0.00 C ATOM 1057 C GLU A 69 3.409 6.977 -40.352 1.00 0.00 C ATOM 1058 O GLU A 69 3.676 5.929 -40.945 1.00 0.00 O ATOM 1059 CB GLU A 69 5.152 8.173 -39.021 1.00 0.00 C ATOM 1060 CG GLU A 69 6.224 9.248 -38.974 1.00 0.00 C ATOM 1061 CD GLU A 69 7.070 9.176 -37.722 1.00 0.00 C ATOM 1062 OE1 GLU A 69 6.563 9.510 -36.636 1.00 0.00 O ATOM 1063 OE2 GLU A 69 8.252 8.784 -37.828 1.00 0.00 O ATOM 0 H GLU A 69 3.773 10.067 -39.783 1.00 0.00 H new ATOM 0 HA GLU A 69 5.094 7.986 -41.166 1.00 0.00 H new ATOM 0 HB2 GLU A 69 4.445 8.337 -38.208 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.613 7.200 -38.850 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.868 9.152 -39.848 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.752 10.229 -39.032 1.00 0.00 H new ATOM 1070 N ALA A 70 2.273 7.154 -39.695 1.00 0.00 N ATOM 1071 CA ALA A 70 1.281 6.092 -39.597 1.00 0.00 C ATOM 1072 C ALA A 70 0.424 6.015 -40.852 1.00 0.00 C ATOM 1073 O ALA A 70 -0.116 4.958 -41.182 1.00 0.00 O ATOM 1074 CB ALA A 70 0.406 6.311 -38.377 1.00 0.00 C ATOM 0 H ALA A 70 2.015 8.020 -39.223 1.00 0.00 H new ATOM 0 HA ALA A 70 1.810 5.144 -39.496 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.333 5.512 -38.311 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.025 6.307 -37.480 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.104 7.271 -38.462 1.00 0.00 H new ATOM 1080 N GLY A 71 0.305 7.133 -41.552 1.00 0.00 N ATOM 1081 CA GLY A 71 -0.546 7.180 -42.720 1.00 0.00 C ATOM 1082 C GLY A 71 -1.990 7.370 -42.320 1.00 0.00 C ATOM 1083 O GLY A 71 -2.846 6.534 -42.610 1.00 0.00 O ATOM 0 H GLY A 71 0.782 8.007 -41.332 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.233 7.996 -43.371 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -0.440 6.258 -43.291 1.00 0.00 H new