USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 408 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 TYR OH : rot -58:sc= -0.179 USER MOD Set 1.2: A 65 HIS : no HD1:sc= -5.88! C(o=-6.1!,f=-6!) USER MOD Set 2.1: A 20 TYR OH : rot -167:sc= 0.634! USER MOD Set 2.2: A 62 ASN : amide:sc= -5.33! C(o=-4.7!,f=-7.2!) USER MOD Set 3.1: A 9 THR OG1 : rot -104:sc= 1.24 USER MOD Set 3.2: A 11 ASN : amide:sc= 0.941 K(o=2.2,f=-2.6) USER MOD Single : A 3 THR OG1 : rot 33:sc= 0.091 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 95:sc= 0.36 USER MOD Single : A 25 GLN : amide:sc= -0.639 K(o=-0.64,f=-1.4) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 145:sc= -8.18! (180deg=-9.86!) USER MOD Single : A 49 ASN : amide:sc= -11.2! C(o=-11!,f=-18!) USER MOD Single : A 51 LYS NZ :NH3+ 152:sc= -0.174 (180deg=-0.914) USER MOD Single : A 54 GLN : amide:sc= -4.22! C(o=-4.2!,f=-4.1!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.33 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 3.539 -5.813 -4.221 1.00 0.00 N ATOM 31 CA THR A 3 3.504 -6.134 -5.643 1.00 0.00 C ATOM 32 C THR A 3 3.279 -7.624 -5.855 1.00 0.00 C ATOM 33 O THR A 3 3.969 -8.455 -5.267 1.00 0.00 O ATOM 34 CB THR A 3 4.820 -5.715 -6.303 1.00 0.00 C ATOM 35 OG1 THR A 3 4.995 -4.312 -6.161 1.00 0.00 O ATOM 36 CG2 THR A 3 4.792 -6.088 -7.784 1.00 0.00 C ATOM 0 HA THR A 3 2.677 -5.589 -6.098 1.00 0.00 H new ATOM 0 HB THR A 3 5.650 -6.231 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.608 -4.019 -5.310 1.00 0.00 H new ATOM 0 HG21 THR A 3 5.730 -5.789 -8.252 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.663 -7.166 -7.885 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.963 -5.576 -8.273 1.00 0.00 H new ATOM 44 N PHE A 4 2.304 -7.951 -6.695 1.00 0.00 N ATOM 45 CA PHE A 4 1.987 -9.344 -6.976 1.00 0.00 C ATOM 46 C PHE A 4 2.454 -9.730 -8.374 1.00 0.00 C ATOM 47 O PHE A 4 2.247 -8.993 -9.338 1.00 0.00 O ATOM 48 CB PHE A 4 0.479 -9.558 -6.867 1.00 0.00 C ATOM 49 CG PHE A 4 0.029 -9.313 -5.448 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.389 -8.035 -5.057 1.00 0.00 C ATOM 51 CD2 PHE A 4 0.026 -10.364 -4.523 1.00 0.00 C ATOM 52 CE1 PHE A 4 -0.809 -7.809 -3.741 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.393 -10.138 -3.207 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.811 -8.860 -2.816 1.00 0.00 C ATOM 0 H PHE A 4 1.723 -7.274 -7.190 1.00 0.00 H new ATOM 0 HA PHE A 4 2.503 -9.971 -6.249 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.043 -8.883 -7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.224 -10.574 -7.169 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.387 -7.224 -5.770 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.347 -11.350 -4.825 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.132 -6.824 -3.439 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.394 -10.949 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.135 -8.685 -1.801 1.00 0.00 H new ATOM 64 N THR A 5 3.093 -10.890 -8.471 1.00 0.00 N ATOM 65 CA THR A 5 3.594 -11.370 -9.751 1.00 0.00 C ATOM 66 C THR A 5 3.130 -12.800 -10.010 1.00 0.00 C ATOM 67 O THR A 5 2.746 -13.514 -9.084 1.00 0.00 O ATOM 68 CB THR A 5 5.122 -11.318 -9.757 1.00 0.00 C ATOM 69 OG1 THR A 5 5.626 -12.172 -8.741 1.00 0.00 O ATOM 70 CG2 THR A 5 5.588 -9.885 -9.501 1.00 0.00 C ATOM 0 H THR A 5 3.275 -11.512 -7.683 1.00 0.00 H new ATOM 0 HA THR A 5 3.201 -10.728 -10.540 1.00 0.00 H new ATOM 0 HB THR A 5 5.493 -11.648 -10.727 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.606 -12.142 -8.744 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.677 -9.850 -9.506 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.201 -9.231 -10.283 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.219 -9.550 -8.532 1.00 0.00 H new ATOM 78 N SER A 6 3.162 -13.211 -11.274 1.00 0.00 N ATOM 79 CA SER A 6 2.737 -14.559 -11.637 1.00 0.00 C ATOM 80 C SER A 6 3.423 -15.022 -12.920 1.00 0.00 C ATOM 81 O SER A 6 3.931 -14.212 -13.694 1.00 0.00 O ATOM 82 CB SER A 6 1.221 -14.588 -11.832 1.00 0.00 C ATOM 83 OG SER A 6 0.876 -13.796 -12.961 1.00 0.00 O ATOM 0 H SER A 6 3.474 -12.637 -12.057 1.00 0.00 H new ATOM 0 HA SER A 6 3.019 -15.235 -10.829 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.881 -15.614 -11.976 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.721 -14.208 -10.941 1.00 0.00 H new ATOM 0 HG SER A 6 -0.095 -13.814 -13.089 1.00 0.00 H new ATOM 89 N ILE A 7 3.424 -16.334 -13.136 1.00 0.00 N ATOM 90 CA ILE A 7 4.037 -16.918 -14.324 1.00 0.00 C ATOM 91 C ILE A 7 3.227 -18.135 -14.761 1.00 0.00 C ATOM 92 O ILE A 7 2.520 -18.730 -13.951 1.00 0.00 O ATOM 93 CB ILE A 7 5.477 -17.334 -14.022 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.199 -17.653 -15.334 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.472 -18.576 -13.129 1.00 0.00 C ATOM 96 CD1 ILE A 7 6.272 -16.393 -16.195 1.00 0.00 C ATOM 0 H ILE A 7 3.006 -17.014 -12.502 1.00 0.00 H new ATOM 0 HA ILE A 7 4.047 -16.179 -15.125 1.00 0.00 H new ATOM 0 HB ILE A 7 5.992 -16.521 -13.510 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.203 -18.024 -15.128 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.671 -18.442 -15.869 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.498 -18.873 -12.913 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.956 -18.351 -12.196 1.00 0.00 H new ATOM 0 HG23 ILE A 7 4.959 -19.390 -13.641 1.00 0.00 H new ATOM 0 HD11 ILE A 7 6.786 -16.620 -17.129 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.263 -16.042 -16.412 1.00 0.00 H new ATOM 0 HD13 ILE A 7 6.819 -15.617 -15.659 1.00 0.00 H new ATOM 108 N VAL A 8 3.318 -18.503 -16.035 1.00 0.00 N ATOM 109 CA VAL A 8 2.561 -19.654 -16.515 1.00 0.00 C ATOM 110 C VAL A 8 3.435 -20.903 -16.583 1.00 0.00 C ATOM 111 O VAL A 8 4.236 -21.076 -17.501 1.00 0.00 O ATOM 112 CB VAL A 8 1.988 -19.357 -17.900 1.00 0.00 C ATOM 113 CG1 VAL A 8 3.127 -19.016 -18.856 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.240 -20.588 -18.418 1.00 0.00 C ATOM 0 H VAL A 8 3.892 -18.036 -16.737 1.00 0.00 H new ATOM 0 HA VAL A 8 1.750 -19.841 -15.811 1.00 0.00 H new ATOM 0 HB VAL A 8 1.300 -18.514 -17.836 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.721 -18.804 -19.845 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.661 -18.140 -18.488 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.814 -19.860 -18.919 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.831 -20.376 -19.406 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.928 -21.431 -18.483 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.428 -20.834 -17.734 1.00 0.00 H new ATOM 124 N THR A 9 3.238 -21.779 -15.607 1.00 0.00 N ATOM 125 CA THR A 9 3.963 -23.043 -15.535 1.00 0.00 C ATOM 126 C THR A 9 3.107 -24.044 -14.777 1.00 0.00 C ATOM 127 O THR A 9 2.300 -23.642 -13.939 1.00 0.00 O ATOM 128 CB THR A 9 5.293 -22.856 -14.802 1.00 0.00 C ATOM 129 OG1 THR A 9 6.083 -24.026 -14.954 1.00 0.00 O ATOM 130 CG2 THR A 9 5.027 -22.613 -13.315 1.00 0.00 C ATOM 0 H THR A 9 2.575 -21.636 -14.846 1.00 0.00 H new ATOM 0 HA THR A 9 4.170 -23.401 -16.543 1.00 0.00 H new ATOM 0 HB THR A 9 5.822 -22.000 -15.221 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.061 -24.546 -14.124 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.975 -22.480 -12.793 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.418 -21.717 -13.196 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.499 -23.469 -12.895 1.00 0.00 H new ATOM 138 N THR A 10 3.266 -25.338 -15.029 1.00 0.00 N ATOM 139 CA THR A 10 2.455 -26.285 -14.280 1.00 0.00 C ATOM 140 C THR A 10 3.295 -27.379 -13.631 1.00 0.00 C ATOM 141 O THR A 10 3.584 -28.410 -14.238 1.00 0.00 O ATOM 142 CB THR A 10 1.429 -26.933 -15.208 1.00 0.00 C ATOM 143 OG1 THR A 10 1.210 -28.278 -14.801 1.00 0.00 O ATOM 144 CG2 THR A 10 1.945 -26.907 -16.649 1.00 0.00 C ATOM 0 H THR A 10 3.913 -25.739 -15.708 1.00 0.00 H new ATOM 0 HA THR A 10 1.958 -25.726 -13.487 1.00 0.00 H new ATOM 0 HB THR A 10 0.491 -26.380 -15.156 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.429 -28.318 -14.210 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.210 -27.370 -17.307 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.109 -25.875 -16.958 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.884 -27.458 -16.709 1.00 0.00 H new ATOM 152 N ASN A 11 3.672 -27.132 -12.382 1.00 0.00 N ATOM 153 CA ASN A 11 4.472 -28.080 -11.620 1.00 0.00 C ATOM 154 C ASN A 11 4.351 -27.789 -10.130 1.00 0.00 C ATOM 155 O ASN A 11 5.345 -27.787 -9.403 1.00 0.00 O ATOM 156 CB ASN A 11 5.939 -27.981 -12.045 1.00 0.00 C ATOM 157 CG ASN A 11 6.385 -26.523 -12.020 1.00 0.00 C ATOM 158 OD1 ASN A 11 6.048 -25.755 -12.920 1.00 0.00 O ATOM 159 ND2 ASN A 11 7.126 -26.094 -11.037 1.00 0.00 N ATOM 0 H ASN A 11 3.435 -26.279 -11.875 1.00 0.00 H new ATOM 0 HA ASN A 11 4.106 -29.088 -11.817 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.562 -28.573 -11.375 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.066 -28.393 -13.046 1.00 0.00 H new ATOM 0 HD21 ASN A 11 7.427 -25.120 -11.013 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.404 -26.732 -10.292 1.00 0.00 H new ATOM 246 N GLU A 18 2.322 -23.299 -1.671 1.00 0.00 N ATOM 247 CA GLU A 18 2.149 -22.588 -2.933 1.00 0.00 C ATOM 248 C GLU A 18 0.687 -22.653 -3.359 1.00 0.00 C ATOM 249 O GLU A 18 0.034 -23.683 -3.187 1.00 0.00 O ATOM 250 CB GLU A 18 3.032 -23.203 -4.020 1.00 0.00 C ATOM 251 CG GLU A 18 4.501 -22.912 -3.712 1.00 0.00 C ATOM 252 CD GLU A 18 5.399 -23.672 -4.682 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.891 -24.545 -5.367 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.579 -23.368 -4.727 1.00 0.00 O ATOM 0 HA GLU A 18 2.443 -21.548 -2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.867 -24.279 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.766 -22.793 -4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.692 -21.842 -3.790 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.731 -23.203 -2.687 1.00 0.00 H new ATOM 261 N PHE A 19 0.168 -21.562 -3.911 1.00 0.00 N ATOM 262 CA PHE A 19 -1.225 -21.541 -4.344 1.00 0.00 C ATOM 263 C PHE A 19 -1.305 -21.491 -5.867 1.00 0.00 C ATOM 264 O PHE A 19 -0.670 -20.651 -6.504 1.00 0.00 O ATOM 265 CB PHE A 19 -1.943 -20.329 -3.753 1.00 0.00 C ATOM 266 CG PHE A 19 -3.415 -20.415 -4.081 1.00 0.00 C ATOM 267 CD1 PHE A 19 -4.276 -21.132 -3.240 1.00 0.00 C ATOM 268 CD2 PHE A 19 -3.918 -19.788 -5.225 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.640 -21.218 -3.542 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.283 -19.875 -5.528 1.00 0.00 C ATOM 271 CZ PHE A 19 -6.144 -20.591 -4.687 1.00 0.00 C ATOM 0 H PHE A 19 0.680 -20.694 -4.068 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.710 -22.451 -3.991 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.800 -20.298 -2.673 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.521 -19.409 -4.157 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.887 -21.619 -2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.254 -19.237 -5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.303 -21.768 -2.891 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.672 -19.389 -6.411 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.196 -20.659 -4.922 1.00 0.00 H new ATOM 281 N TYR A 20 -2.089 -22.396 -6.442 1.00 0.00 N ATOM 282 CA TYR A 20 -2.243 -22.446 -7.892 1.00 0.00 C ATOM 283 C TYR A 20 -3.718 -22.439 -8.275 1.00 0.00 C ATOM 284 O TYR A 20 -4.528 -23.134 -7.661 1.00 0.00 O ATOM 285 CB TYR A 20 -1.592 -23.720 -8.431 1.00 0.00 C ATOM 286 CG TYR A 20 -0.118 -23.711 -8.107 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.798 -23.199 -9.031 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.331 -24.214 -6.880 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.164 -23.191 -8.731 1.00 0.00 C ATOM 290 CE2 TYR A 20 1.698 -24.206 -6.579 1.00 0.00 C ATOM 291 CZ TYR A 20 2.616 -23.694 -7.506 1.00 0.00 C ATOM 292 OH TYR A 20 3.962 -23.686 -7.211 1.00 0.00 O ATOM 0 H TYR A 20 -2.624 -23.099 -5.932 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.761 -21.568 -8.323 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.066 -24.597 -7.991 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.737 -23.787 -9.509 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.451 -22.810 -9.977 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.377 -24.608 -6.166 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.871 -22.796 -9.446 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.045 -24.594 -5.633 1.00 0.00 H new ATOM 0 HH TYR A 20 4.127 -24.244 -6.423 1.00 0.00 H new ATOM 302 N VAL A 21 -4.066 -21.662 -9.298 1.00 0.00 N ATOM 303 CA VAL A 21 -5.452 -21.600 -9.747 1.00 0.00 C ATOM 304 C VAL A 21 -5.734 -22.709 -10.748 1.00 0.00 C ATOM 305 O VAL A 21 -5.143 -22.749 -11.827 1.00 0.00 O ATOM 306 CB VAL A 21 -5.743 -20.248 -10.406 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.143 -20.278 -11.021 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.688 -19.139 -9.358 1.00 0.00 C ATOM 0 H VAL A 21 -3.418 -21.076 -9.824 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.094 -21.724 -8.875 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.998 -20.058 -11.178 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.354 -19.318 -11.491 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.194 -21.068 -11.770 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.879 -20.470 -10.240 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.896 -18.180 -9.832 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.433 -19.331 -8.586 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.696 -19.114 -8.907 1.00 0.00 H new ATOM 318 N GLU A 22 -6.652 -23.598 -10.394 1.00 0.00 N ATOM 319 CA GLU A 22 -7.013 -24.690 -11.282 1.00 0.00 C ATOM 320 C GLU A 22 -7.734 -24.134 -12.502 1.00 0.00 C ATOM 321 O GLU A 22 -8.591 -23.260 -12.376 1.00 0.00 O ATOM 322 CB GLU A 22 -7.915 -25.686 -10.554 1.00 0.00 C ATOM 323 CG GLU A 22 -8.235 -26.860 -11.480 1.00 0.00 C ATOM 324 CD GLU A 22 -9.102 -27.880 -10.749 1.00 0.00 C ATOM 325 OE1 GLU A 22 -9.408 -27.644 -9.592 1.00 0.00 O ATOM 326 OE2 GLU A 22 -9.447 -28.879 -11.357 1.00 0.00 O ATOM 0 H GLU A 22 -7.155 -23.584 -9.507 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.107 -25.207 -11.600 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.422 -26.046 -9.651 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.836 -25.196 -10.240 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.753 -26.501 -12.370 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.311 -27.330 -11.817 1.00 0.00 H new ATOM 333 N ALA A 23 -7.381 -24.629 -13.680 1.00 0.00 N ATOM 334 CA ALA A 23 -8.010 -24.144 -14.899 1.00 0.00 C ATOM 335 C ALA A 23 -9.525 -24.210 -14.765 1.00 0.00 C ATOM 336 O ALA A 23 -10.077 -25.223 -14.336 1.00 0.00 O ATOM 337 CB ALA A 23 -7.562 -24.989 -16.092 1.00 0.00 C ATOM 0 H ALA A 23 -6.676 -25.353 -13.817 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.709 -23.109 -15.061 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.038 -24.618 -17.000 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.479 -24.924 -16.198 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.849 -26.028 -15.930 1.00 0.00 H new ATOM 343 N GLY A 24 -10.191 -23.122 -15.134 1.00 0.00 N ATOM 344 CA GLY A 24 -11.643 -23.070 -15.051 1.00 0.00 C ATOM 345 C GLY A 24 -12.111 -22.822 -13.617 1.00 0.00 C ATOM 346 O GLY A 24 -13.286 -23.016 -13.303 1.00 0.00 O ATOM 0 H GLY A 24 -9.753 -22.273 -15.490 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.018 -22.278 -15.700 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.064 -24.007 -15.416 1.00 0.00 H new ATOM 350 N GLN A 25 -11.198 -22.390 -12.748 1.00 0.00 N ATOM 351 CA GLN A 25 -11.561 -22.125 -11.359 1.00 0.00 C ATOM 352 C GLN A 25 -11.283 -20.671 -10.996 1.00 0.00 C ATOM 353 O GLN A 25 -10.399 -20.033 -11.569 1.00 0.00 O ATOM 354 CB GLN A 25 -10.789 -23.055 -10.422 1.00 0.00 C ATOM 355 CG GLN A 25 -11.147 -24.508 -10.743 1.00 0.00 C ATOM 356 CD GLN A 25 -12.656 -24.702 -10.647 1.00 0.00 C ATOM 357 OE1 GLN A 25 -13.303 -25.043 -11.638 1.00 0.00 O ATOM 358 NE2 GLN A 25 -13.260 -24.507 -9.506 1.00 0.00 N ATOM 0 H GLN A 25 -10.219 -22.219 -12.976 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.629 -22.312 -11.244 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.717 -22.899 -10.538 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.034 -22.829 -9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.801 -24.764 -11.744 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.640 -25.179 -10.049 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.723 -24.225 -8.686 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.269 -24.637 -9.434 1.00 0.00 H new ATOM 367 N GLN A 26 -12.053 -20.153 -10.046 1.00 0.00 N ATOM 368 CA GLN A 26 -11.895 -18.768 -9.618 1.00 0.00 C ATOM 369 C GLN A 26 -10.928 -18.662 -8.441 1.00 0.00 C ATOM 370 O GLN A 26 -11.127 -19.281 -7.397 1.00 0.00 O ATOM 371 CB GLN A 26 -13.250 -18.188 -9.213 1.00 0.00 C ATOM 372 CG GLN A 26 -13.072 -16.730 -8.788 1.00 0.00 C ATOM 373 CD GLN A 26 -14.413 -16.143 -8.361 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.057 -16.663 -7.448 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.877 -15.086 -8.970 1.00 0.00 N ATOM 0 H GLN A 26 -12.788 -20.667 -9.560 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.487 -18.203 -10.456 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.949 -18.252 -10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.676 -18.768 -8.394 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.360 -16.667 -7.965 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.658 -16.150 -9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.343 -14.657 -9.725 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.774 -14.689 -8.690 1.00 0.00 H new ATOM 384 N PHE A 27 -9.883 -17.866 -8.629 1.00 0.00 N ATOM 385 CA PHE A 27 -8.882 -17.668 -7.588 1.00 0.00 C ATOM 386 C PHE A 27 -9.534 -17.170 -6.308 1.00 0.00 C ATOM 387 O PHE A 27 -10.268 -16.181 -6.312 1.00 0.00 O ATOM 388 CB PHE A 27 -7.847 -16.646 -8.065 1.00 0.00 C ATOM 389 CG PHE A 27 -6.871 -16.349 -6.953 1.00 0.00 C ATOM 390 CD1 PHE A 27 -7.030 -15.196 -6.174 1.00 0.00 C ATOM 391 CD2 PHE A 27 -5.805 -17.220 -6.702 1.00 0.00 C ATOM 392 CE1 PHE A 27 -6.124 -14.916 -5.144 1.00 0.00 C ATOM 393 CE2 PHE A 27 -4.898 -16.940 -5.673 1.00 0.00 C ATOM 394 CZ PHE A 27 -5.059 -15.788 -4.893 1.00 0.00 C ATOM 0 H PHE A 27 -9.707 -17.348 -9.490 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.395 -18.621 -7.384 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.315 -17.032 -8.934 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.346 -15.729 -8.378 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.852 -14.523 -6.368 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.682 -18.109 -7.303 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.247 -14.027 -4.543 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -4.075 -17.612 -5.481 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.361 -15.573 -4.098 1.00 0.00 H new ATOM 404 N ASP A 28 -9.259 -17.864 -5.211 1.00 0.00 N ATOM 405 CA ASP A 28 -9.821 -17.492 -3.923 1.00 0.00 C ATOM 406 C ASP A 28 -8.817 -16.666 -3.128 1.00 0.00 C ATOM 407 O ASP A 28 -7.718 -17.130 -2.822 1.00 0.00 O ATOM 408 CB ASP A 28 -10.189 -18.750 -3.140 1.00 0.00 C ATOM 409 CG ASP A 28 -11.210 -19.571 -3.921 1.00 0.00 C ATOM 410 OD1 ASP A 28 -11.028 -20.773 -4.014 1.00 0.00 O ATOM 411 OD2 ASP A 28 -12.160 -18.984 -4.412 1.00 0.00 O ATOM 0 H ASP A 28 -8.653 -18.684 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.717 -16.893 -4.088 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.296 -19.347 -2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.598 -18.476 -2.167 1.00 0.00 H new ATOM 416 N ASP A 29 -9.200 -15.437 -2.802 1.00 0.00 N ATOM 417 CA ASP A 29 -8.324 -14.552 -2.048 1.00 0.00 C ATOM 418 C ASP A 29 -8.378 -14.858 -0.555 1.00 0.00 C ATOM 419 O ASP A 29 -7.537 -14.389 0.210 1.00 0.00 O ATOM 420 CB ASP A 29 -8.733 -13.097 -2.280 1.00 0.00 C ATOM 421 CG ASP A 29 -10.154 -12.869 -1.776 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.646 -11.763 -1.930 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.730 -13.803 -1.245 1.00 0.00 O ATOM 0 H ASP A 29 -10.105 -15.034 -3.046 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.304 -14.713 -2.397 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.043 -12.430 -1.763 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.672 -12.858 -3.342 1.00 0.00 H new ATOM 428 N SER A 30 -9.365 -15.647 -0.141 1.00 0.00 N ATOM 429 CA SER A 30 -9.493 -15.995 1.268 1.00 0.00 C ATOM 430 C SER A 30 -8.311 -16.842 1.727 1.00 0.00 C ATOM 431 O SER A 30 -7.736 -16.602 2.787 1.00 0.00 O ATOM 432 CB SER A 30 -10.794 -16.764 1.499 1.00 0.00 C ATOM 433 OG SER A 30 -11.898 -15.912 1.228 1.00 0.00 O ATOM 0 H SER A 30 -10.076 -16.051 -0.750 1.00 0.00 H new ATOM 0 HA SER A 30 -9.507 -15.072 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.830 -17.642 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.840 -17.122 2.527 1.00 0.00 H new ATOM 0 HG SER A 30 -12.734 -16.403 1.374 1.00 0.00 H new ATOM 439 N ALA A 31 -7.953 -17.838 0.919 1.00 0.00 N ATOM 440 CA ALA A 31 -6.837 -18.716 1.251 1.00 0.00 C ATOM 441 C ALA A 31 -5.510 -17.967 1.198 1.00 0.00 C ATOM 442 O ALA A 31 -4.642 -18.156 2.050 1.00 0.00 O ATOM 443 CB ALA A 31 -6.797 -19.892 0.275 1.00 0.00 C ATOM 0 H ALA A 31 -8.416 -18.055 0.037 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.985 -19.082 2.267 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.962 -20.545 0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.729 -20.453 0.342 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.671 -19.518 -0.741 1.00 0.00 H new ATOM 449 N TYR A 32 -5.357 -17.124 0.181 1.00 0.00 N ATOM 450 CA TYR A 32 -4.126 -16.360 0.011 1.00 0.00 C ATOM 451 C TYR A 32 -3.888 -15.439 1.200 1.00 0.00 C ATOM 452 O TYR A 32 -2.793 -15.401 1.760 1.00 0.00 O ATOM 453 CB TYR A 32 -4.201 -15.524 -1.267 1.00 0.00 C ATOM 454 CG TYR A 32 -2.898 -14.783 -1.451 1.00 0.00 C ATOM 455 CD1 TYR A 32 -1.835 -15.398 -2.122 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.752 -13.486 -0.945 1.00 0.00 C ATOM 457 CE1 TYR A 32 -0.625 -14.715 -2.289 1.00 0.00 C ATOM 458 CE2 TYR A 32 -1.542 -12.803 -1.114 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.479 -13.418 -1.786 1.00 0.00 C ATOM 460 OH TYR A 32 0.714 -12.745 -1.951 1.00 0.00 O ATOM 0 H TYR A 32 -6.065 -16.953 -0.533 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.298 -17.066 -0.058 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.392 -16.167 -2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.029 -14.818 -1.206 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.948 -16.399 -2.511 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.572 -13.013 -0.425 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.196 -15.189 -2.806 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.428 -11.802 -0.726 1.00 0.00 H new ATOM 0 HH TYR A 32 1.442 -13.267 -1.553 1.00 0.00 H new ATOM 470 N GLU A 33 -4.921 -14.697 1.583 1.00 0.00 N ATOM 471 CA GLU A 33 -4.803 -13.783 2.710 1.00 0.00 C ATOM 472 C GLU A 33 -4.622 -14.564 4.006 1.00 0.00 C ATOM 473 O GLU A 33 -3.968 -14.097 4.935 1.00 0.00 O ATOM 474 CB GLU A 33 -6.045 -12.895 2.805 1.00 0.00 C ATOM 475 CG GLU A 33 -7.278 -13.761 3.058 1.00 0.00 C ATOM 476 CD GLU A 33 -7.355 -14.142 4.532 1.00 0.00 C ATOM 477 OE1 GLU A 33 -6.745 -13.454 5.334 1.00 0.00 O ATOM 478 OE2 GLU A 33 -8.023 -15.117 4.839 1.00 0.00 O ATOM 0 H GLU A 33 -5.838 -14.710 1.136 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.929 -13.151 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.926 -12.171 3.611 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.170 -12.328 1.883 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.178 -13.220 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.233 -14.660 2.443 1.00 0.00 H new ATOM 485 N GLU A 34 -5.218 -15.748 4.065 1.00 0.00 N ATOM 486 CA GLU A 34 -5.112 -16.570 5.264 1.00 0.00 C ATOM 487 C GLU A 34 -3.657 -16.950 5.536 1.00 0.00 C ATOM 488 O GLU A 34 -3.167 -16.790 6.655 1.00 0.00 O ATOM 489 CB GLU A 34 -5.952 -17.838 5.102 1.00 0.00 C ATOM 490 CG GLU A 34 -5.854 -18.680 6.378 1.00 0.00 C ATOM 491 CD GLU A 34 -6.719 -19.928 6.246 1.00 0.00 C ATOM 492 OE1 GLU A 34 -7.347 -20.083 5.211 1.00 0.00 O ATOM 493 OE2 GLU A 34 -6.738 -20.712 7.180 1.00 0.00 O ATOM 0 H GLU A 34 -5.771 -16.156 3.311 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.484 -15.991 6.109 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.992 -17.576 4.905 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.600 -18.413 4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.817 -18.963 6.558 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.177 -18.092 7.237 1.00 0.00 H new ATOM 500 N ALA A 35 -2.966 -17.451 4.512 1.00 0.00 N ATOM 501 CA ALA A 35 -1.565 -17.841 4.668 1.00 0.00 C ATOM 502 C ALA A 35 -0.657 -16.615 4.722 1.00 0.00 C ATOM 503 O ALA A 35 0.206 -16.503 5.593 1.00 0.00 O ATOM 504 CB ALA A 35 -1.141 -18.737 3.505 1.00 0.00 C ATOM 0 H ALA A 35 -3.347 -17.595 3.577 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.468 -18.386 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.097 -19.023 3.628 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.763 -19.632 3.490 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.261 -18.196 2.566 1.00 0.00 H new ATOM 510 N TYR A 36 -0.854 -15.705 3.773 1.00 0.00 N ATOM 511 CA TYR A 36 -0.046 -14.492 3.699 1.00 0.00 C ATOM 512 C TYR A 36 -0.469 -13.489 4.766 1.00 0.00 C ATOM 513 O TYR A 36 0.323 -12.648 5.191 1.00 0.00 O ATOM 514 CB TYR A 36 -0.181 -13.854 2.315 1.00 0.00 C ATOM 515 CG TYR A 36 0.527 -14.711 1.293 1.00 0.00 C ATOM 516 CD1 TYR A 36 -0.180 -15.690 0.584 1.00 0.00 C ATOM 517 CD2 TYR A 36 1.894 -14.527 1.053 1.00 0.00 C ATOM 518 CE1 TYR A 36 0.479 -16.483 -0.363 1.00 0.00 C ATOM 519 CE2 TYR A 36 2.554 -15.320 0.107 1.00 0.00 C ATOM 520 CZ TYR A 36 1.846 -16.298 -0.601 1.00 0.00 C ATOM 521 OH TYR A 36 2.496 -17.080 -1.535 1.00 0.00 O ATOM 0 H TYR A 36 -1.565 -15.784 3.046 1.00 0.00 H new ATOM 0 HA TYR A 36 0.994 -14.768 3.873 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.234 -13.751 2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.246 -12.851 2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.235 -15.833 0.768 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.440 -13.772 1.599 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -0.067 -17.237 -0.910 1.00 0.00 H new ATOM 0 HE2 TYR A 36 3.609 -15.177 -0.076 1.00 0.00 H new ATOM 0 HH TYR A 36 3.440 -16.822 -1.578 1.00 0.00 H new ATOM 531 N GLY A 37 -1.720 -13.585 5.193 1.00 0.00 N ATOM 532 CA GLY A 37 -2.241 -12.679 6.209 1.00 0.00 C ATOM 533 C GLY A 37 -2.535 -11.306 5.616 1.00 0.00 C ATOM 534 O GLY A 37 -2.659 -10.320 6.342 1.00 0.00 O ATOM 0 H GLY A 37 -2.390 -14.276 4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.151 -13.095 6.641 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.519 -12.582 7.020 1.00 0.00 H new ATOM 538 N VAL A 38 -2.649 -11.247 4.290 1.00 0.00 N ATOM 539 CA VAL A 38 -2.935 -9.980 3.625 1.00 0.00 C ATOM 540 C VAL A 38 -4.024 -10.142 2.567 1.00 0.00 C ATOM 541 O VAL A 38 -4.064 -11.138 1.844 1.00 0.00 O ATOM 542 CB VAL A 38 -1.663 -9.442 2.968 1.00 0.00 C ATOM 543 CG1 VAL A 38 -0.613 -9.159 4.044 1.00 0.00 C ATOM 544 CG2 VAL A 38 -1.119 -10.483 1.987 1.00 0.00 C ATOM 0 H VAL A 38 -2.550 -12.047 3.665 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.290 -9.277 4.378 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.892 -8.520 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.294 -8.776 3.576 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.000 -8.419 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.383 -10.080 4.579 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.212 -10.102 1.517 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.890 -11.404 2.523 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.867 -10.686 1.220 1.00 0.00 H new ATOM 554 N SER A 39 -4.907 -9.151 2.491 1.00 0.00 N ATOM 555 CA SER A 39 -6.003 -9.179 1.527 1.00 0.00 C ATOM 556 C SER A 39 -5.475 -9.079 0.098 1.00 0.00 C ATOM 557 O SER A 39 -4.470 -8.417 -0.159 1.00 0.00 O ATOM 558 CB SER A 39 -6.964 -8.022 1.797 1.00 0.00 C ATOM 559 OG SER A 39 -7.542 -8.183 3.087 1.00 0.00 O ATOM 0 H SER A 39 -4.886 -8.321 3.083 1.00 0.00 H new ATOM 0 HA SER A 39 -6.530 -10.127 1.638 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.433 -7.072 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.744 -7.997 1.037 1.00 0.00 H new ATOM 0 HG SER A 39 -8.158 -7.442 3.264 1.00 0.00 H new ATOM 565 N VAL A 40 -6.164 -9.740 -0.826 1.00 0.00 N ATOM 566 CA VAL A 40 -5.765 -9.725 -2.231 1.00 0.00 C ATOM 567 C VAL A 40 -6.692 -8.819 -3.035 1.00 0.00 C ATOM 568 O VAL A 40 -7.893 -9.073 -3.126 1.00 0.00 O ATOM 569 CB VAL A 40 -5.814 -11.140 -2.806 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.344 -11.115 -4.260 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.903 -12.054 -1.989 1.00 0.00 C ATOM 0 H VAL A 40 -6.999 -10.292 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.746 -9.343 -2.296 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.836 -11.516 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.379 -12.124 -4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.996 -10.464 -4.842 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.322 -10.740 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.938 -13.063 -2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.880 -11.680 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.240 -12.072 -0.953 1.00 0.00 H new ATOM 581 N PRO A 41 -6.163 -7.774 -3.610 1.00 0.00 N ATOM 582 CA PRO A 41 -6.963 -6.807 -4.421 1.00 0.00 C ATOM 583 C PRO A 41 -7.736 -7.498 -5.544 1.00 0.00 C ATOM 584 O PRO A 41 -7.222 -8.399 -6.204 1.00 0.00 O ATOM 585 CB PRO A 41 -5.903 -5.859 -4.992 1.00 0.00 C ATOM 586 CG PRO A 41 -4.761 -5.947 -4.039 1.00 0.00 C ATOM 587 CD PRO A 41 -4.744 -7.391 -3.553 1.00 0.00 C ATOM 0 HA PRO A 41 -7.723 -6.301 -3.826 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.604 -6.159 -5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.281 -4.839 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.822 -5.687 -4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.890 -5.255 -3.207 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.129 -8.025 -4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.344 -7.472 -2.542 1.00 0.00 H new ATOM 595 N SER A 42 -8.983 -7.081 -5.733 1.00 0.00 N ATOM 596 CA SER A 42 -9.839 -7.670 -6.757 1.00 0.00 C ATOM 597 C SER A 42 -9.243 -7.500 -8.152 1.00 0.00 C ATOM 598 O SER A 42 -9.329 -8.405 -8.983 1.00 0.00 O ATOM 599 CB SER A 42 -11.221 -7.021 -6.712 1.00 0.00 C ATOM 600 OG SER A 42 -12.046 -7.600 -7.715 1.00 0.00 O ATOM 0 H SER A 42 -9.424 -6.338 -5.191 1.00 0.00 H new ATOM 0 HA SER A 42 -9.921 -8.737 -6.550 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.670 -7.163 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.136 -5.946 -6.871 1.00 0.00 H new ATOM 0 HG SER A 42 -12.934 -7.186 -7.687 1.00 0.00 H new ATOM 606 N ALA A 43 -8.667 -6.334 -8.418 1.00 0.00 N ATOM 607 CA ALA A 43 -8.093 -6.067 -9.734 1.00 0.00 C ATOM 608 C ALA A 43 -6.999 -7.075 -10.077 1.00 0.00 C ATOM 609 O ALA A 43 -6.927 -7.556 -11.209 1.00 0.00 O ATOM 610 CB ALA A 43 -7.515 -4.651 -9.771 1.00 0.00 C ATOM 0 H ALA A 43 -8.584 -5.567 -7.751 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.888 -6.160 -10.474 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.088 -4.458 -10.755 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.307 -3.929 -9.571 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.737 -4.556 -9.013 1.00 0.00 H new ATOM 616 N VAL A 44 -6.153 -7.403 -9.105 1.00 0.00 N ATOM 617 CA VAL A 44 -5.085 -8.369 -9.348 1.00 0.00 C ATOM 618 C VAL A 44 -5.661 -9.778 -9.473 1.00 0.00 C ATOM 619 O VAL A 44 -5.171 -10.594 -10.253 1.00 0.00 O ATOM 620 CB VAL A 44 -4.047 -8.316 -8.220 1.00 0.00 C ATOM 621 CG1 VAL A 44 -4.657 -8.830 -6.916 1.00 0.00 C ATOM 622 CG2 VAL A 44 -2.848 -9.190 -8.595 1.00 0.00 C ATOM 0 H VAL A 44 -6.183 -7.023 -8.159 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.592 -8.110 -10.285 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.727 -7.284 -8.080 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.910 -8.787 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.511 -8.209 -6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.986 -9.861 -7.050 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.108 -9.155 -7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.178 -10.219 -8.739 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.402 -8.820 -9.518 1.00 0.00 H new ATOM 632 N VAL A 45 -6.709 -10.051 -8.702 1.00 0.00 N ATOM 633 CA VAL A 45 -7.364 -11.356 -8.728 1.00 0.00 C ATOM 634 C VAL A 45 -8.005 -11.616 -10.086 1.00 0.00 C ATOM 635 O VAL A 45 -7.968 -12.738 -10.593 1.00 0.00 O ATOM 636 CB VAL A 45 -8.437 -11.429 -7.641 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.250 -12.713 -7.811 1.00 0.00 C ATOM 638 CG2 VAL A 45 -7.768 -11.428 -6.265 1.00 0.00 C ATOM 0 H VAL A 45 -7.124 -9.385 -8.050 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.605 -12.117 -8.545 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.099 -10.567 -7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.015 -12.765 -7.036 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.726 -12.715 -8.791 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.589 -13.576 -7.727 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.532 -11.480 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.107 -12.290 -6.181 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.188 -10.513 -6.143 1.00 0.00 H new ATOM 648 N GLU A 46 -8.610 -10.581 -10.666 1.00 0.00 N ATOM 649 CA GLU A 46 -9.271 -10.731 -11.955 1.00 0.00 C ATOM 650 C GLU A 46 -8.277 -11.168 -13.025 1.00 0.00 C ATOM 651 O GLU A 46 -8.574 -12.054 -13.827 1.00 0.00 O ATOM 652 CB GLU A 46 -9.916 -9.407 -12.367 1.00 0.00 C ATOM 653 CG GLU A 46 -11.108 -9.114 -11.458 1.00 0.00 C ATOM 654 CD GLU A 46 -12.131 -10.241 -11.559 1.00 0.00 C ATOM 655 OE1 GLU A 46 -12.559 -10.720 -10.522 1.00 0.00 O ATOM 656 OE2 GLU A 46 -12.471 -10.608 -12.671 1.00 0.00 O ATOM 0 H GLU A 46 -8.655 -9.643 -10.268 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.040 -11.498 -11.858 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.187 -8.599 -12.300 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.242 -9.457 -13.406 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.772 -9.008 -10.427 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.568 -8.168 -11.742 1.00 0.00 H new ATOM 663 N GLU A 47 -7.100 -10.548 -13.046 1.00 0.00 N ATOM 664 CA GLU A 47 -6.100 -10.906 -14.043 1.00 0.00 C ATOM 665 C GLU A 47 -5.745 -12.375 -13.904 1.00 0.00 C ATOM 666 O GLU A 47 -5.677 -13.100 -14.896 1.00 0.00 O ATOM 667 CB GLU A 47 -4.842 -10.058 -13.870 1.00 0.00 C ATOM 668 CG GLU A 47 -3.817 -10.442 -14.939 1.00 0.00 C ATOM 669 CD GLU A 47 -4.365 -10.124 -16.326 1.00 0.00 C ATOM 670 OE1 GLU A 47 -5.286 -9.328 -16.408 1.00 0.00 O ATOM 671 OE2 GLU A 47 -3.855 -10.679 -17.284 1.00 0.00 O ATOM 0 H GLU A 47 -6.821 -9.811 -12.398 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.514 -10.720 -15.034 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.090 -9.000 -13.952 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.421 -10.211 -12.876 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.886 -9.899 -14.774 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.584 -11.504 -14.866 1.00 0.00 H new ATOM 678 N MET A 48 -5.551 -12.823 -12.668 1.00 0.00 N ATOM 679 CA MET A 48 -5.237 -14.222 -12.427 1.00 0.00 C ATOM 680 C MET A 48 -6.409 -15.080 -12.877 1.00 0.00 C ATOM 681 O MET A 48 -6.227 -16.143 -13.470 1.00 0.00 O ATOM 682 CB MET A 48 -4.963 -14.450 -10.939 1.00 0.00 C ATOM 683 CG MET A 48 -3.643 -13.779 -10.556 1.00 0.00 C ATOM 684 SD MET A 48 -3.350 -13.989 -8.783 1.00 0.00 S ATOM 685 CE MET A 48 -1.728 -13.187 -8.724 1.00 0.00 C ATOM 0 H MET A 48 -5.605 -12.245 -11.829 1.00 0.00 H new ATOM 0 HA MET A 48 -4.346 -14.497 -12.991 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.778 -14.042 -10.341 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.916 -15.518 -10.726 1.00 0.00 H new ATOM 0 HG2 MET A 48 -2.822 -14.216 -11.125 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.676 -12.719 -10.807 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.620 -12.653 -7.780 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.946 -13.942 -8.805 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.640 -12.483 -9.551 1.00 0.00 H new ATOM 695 N ASN A 49 -7.617 -14.595 -12.602 1.00 0.00 N ATOM 696 CA ASN A 49 -8.821 -15.309 -12.997 1.00 0.00 C ATOM 697 C ASN A 49 -8.853 -15.433 -14.514 1.00 0.00 C ATOM 698 O ASN A 49 -9.199 -16.480 -15.063 1.00 0.00 O ATOM 699 CB ASN A 49 -10.057 -14.535 -12.530 1.00 0.00 C ATOM 700 CG ASN A 49 -10.150 -14.554 -11.008 1.00 0.00 C ATOM 701 OD1 ASN A 49 -10.060 -13.507 -10.367 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.334 -15.685 -10.388 1.00 0.00 N ATOM 0 H ASN A 49 -7.785 -13.717 -12.111 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.821 -16.300 -12.542 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.005 -13.506 -12.885 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.955 -14.976 -12.962 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.404 -15.703 -9.371 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.408 -16.552 -10.920 1.00 0.00 H new ATOM 709 N ALA A 50 -8.470 -14.348 -15.181 1.00 0.00 N ATOM 710 CA ALA A 50 -8.434 -14.323 -16.635 1.00 0.00 C ATOM 711 C ALA A 50 -7.415 -15.328 -17.157 1.00 0.00 C ATOM 712 O ALA A 50 -7.654 -16.011 -18.150 1.00 0.00 O ATOM 713 CB ALA A 50 -8.068 -12.920 -17.125 1.00 0.00 C ATOM 0 H ALA A 50 -8.181 -13.477 -14.736 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.421 -14.591 -17.011 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.043 -12.910 -18.215 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.812 -12.206 -16.772 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.088 -12.643 -16.737 1.00 0.00 H new ATOM 719 N LYS A 51 -6.271 -15.406 -16.480 1.00 0.00 N ATOM 720 CA LYS A 51 -5.214 -16.320 -16.891 1.00 0.00 C ATOM 721 C LYS A 51 -5.721 -17.757 -16.858 1.00 0.00 C ATOM 722 O LYS A 51 -5.425 -18.550 -17.750 1.00 0.00 O ATOM 723 CB LYS A 51 -4.012 -16.195 -15.949 1.00 0.00 C ATOM 724 CG LYS A 51 -3.400 -14.794 -16.057 1.00 0.00 C ATOM 725 CD LYS A 51 -2.967 -14.522 -17.496 1.00 0.00 C ATOM 726 CE LYS A 51 -2.173 -13.215 -17.550 1.00 0.00 C ATOM 727 NZ LYS A 51 -0.925 -13.361 -16.747 1.00 0.00 N ATOM 0 H LYS A 51 -6.056 -14.851 -15.652 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.911 -16.062 -17.906 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.324 -16.386 -14.922 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.264 -16.947 -16.200 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.126 -14.046 -15.740 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.543 -14.710 -15.389 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.357 -15.346 -17.866 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.841 -14.456 -18.144 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.927 -12.968 -18.583 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.775 -12.394 -17.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.190 -12.732 -17.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.117 -13.106 -15.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.596 -14.346 -16.793 1.00 0.00 H new ATOM 741 N ALA A 52 -6.492 -18.080 -15.827 1.00 0.00 N ATOM 742 CA ALA A 52 -7.045 -19.422 -15.679 1.00 0.00 C ATOM 743 C ALA A 52 -7.947 -19.769 -16.859 1.00 0.00 C ATOM 744 O ALA A 52 -7.992 -20.918 -17.300 1.00 0.00 O ATOM 745 CB ALA A 52 -7.846 -19.517 -14.379 1.00 0.00 C ATOM 0 H ALA A 52 -6.749 -17.433 -15.082 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.217 -20.131 -15.650 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.255 -20.522 -14.276 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.193 -19.303 -13.533 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.661 -18.794 -14.400 1.00 0.00 H new ATOM 751 N ALA A 53 -8.665 -18.772 -17.363 1.00 0.00 N ATOM 752 CA ALA A 53 -9.566 -18.981 -18.490 1.00 0.00 C ATOM 753 C ALA A 53 -8.800 -19.456 -19.724 1.00 0.00 C ATOM 754 O ALA A 53 -9.277 -20.312 -20.467 1.00 0.00 O ATOM 755 CB ALA A 53 -10.302 -17.682 -18.817 1.00 0.00 C ATOM 0 H ALA A 53 -8.641 -17.815 -17.011 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.285 -19.751 -18.210 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.973 -17.846 -19.660 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.880 -17.363 -17.950 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.578 -16.909 -19.075 1.00 0.00 H new ATOM 761 N GLN A 54 -7.609 -18.900 -19.933 1.00 0.00 N ATOM 762 CA GLN A 54 -6.795 -19.288 -21.080 1.00 0.00 C ATOM 763 C GLN A 54 -5.958 -20.524 -20.763 1.00 0.00 C ATOM 764 O GLN A 54 -5.382 -21.140 -21.661 1.00 0.00 O ATOM 765 CB GLN A 54 -5.875 -18.138 -21.497 1.00 0.00 C ATOM 766 CG GLN A 54 -6.690 -17.061 -22.216 1.00 0.00 C ATOM 767 CD GLN A 54 -7.496 -16.251 -21.209 1.00 0.00 C ATOM 768 OE1 GLN A 54 -6.946 -15.769 -20.222 1.00 0.00 O ATOM 769 NE2 GLN A 54 -8.776 -16.074 -21.402 1.00 0.00 N ATOM 0 H GLN A 54 -7.191 -18.189 -19.332 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.470 -19.524 -21.903 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -5.387 -17.713 -20.620 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.087 -18.509 -22.152 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.024 -16.402 -22.774 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.360 -17.525 -22.940 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -9.228 -16.476 -22.223 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.323 -15.534 -20.732 1.00 0.00 H new ATOM 778 N LEU A 55 -5.889 -20.884 -19.485 1.00 0.00 N ATOM 779 CA LEU A 55 -5.109 -22.048 -19.076 1.00 0.00 C ATOM 780 C LEU A 55 -5.827 -23.347 -19.425 1.00 0.00 C ATOM 781 O LEU A 55 -6.974 -23.566 -19.036 1.00 0.00 O ATOM 782 CB LEU A 55 -4.845 -22.001 -17.571 1.00 0.00 C ATOM 783 CG LEU A 55 -3.791 -20.936 -17.267 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.729 -20.692 -15.759 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.425 -21.421 -17.757 1.00 0.00 C ATOM 0 H LEU A 55 -6.357 -20.394 -18.723 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.163 -22.021 -19.616 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.768 -21.776 -17.037 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.503 -22.975 -17.221 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.056 -20.008 -17.775 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.977 -19.933 -15.544 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.702 -20.350 -15.405 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.464 -21.619 -15.251 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.671 -20.664 -17.542 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.164 -22.348 -17.247 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.466 -21.597 -18.832 1.00 0.00 H new ATOM 797 N LYS A 56 -5.129 -24.208 -20.156 1.00 0.00 N ATOM 798 CA LYS A 56 -5.682 -25.495 -20.558 1.00 0.00 C ATOM 799 C LYS A 56 -5.346 -26.556 -19.516 1.00 0.00 C ATOM 800 O LYS A 56 -4.602 -26.293 -18.572 1.00 0.00 O ATOM 801 CB LYS A 56 -5.116 -25.910 -21.917 1.00 0.00 C ATOM 802 CG LYS A 56 -5.364 -24.797 -22.936 1.00 0.00 C ATOM 803 CD LYS A 56 -6.870 -24.571 -23.092 1.00 0.00 C ATOM 804 CE LYS A 56 -7.505 -25.802 -23.743 1.00 0.00 C ATOM 805 NZ LYS A 56 -8.956 -25.549 -23.967 1.00 0.00 N ATOM 0 H LYS A 56 -4.178 -24.038 -20.483 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.765 -25.401 -20.637 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.048 -26.108 -21.832 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.586 -26.835 -22.251 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -4.880 -23.877 -22.610 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.925 -25.065 -23.897 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.324 -24.386 -22.118 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.055 -23.687 -23.703 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -7.012 -26.021 -24.690 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -7.371 -26.675 -23.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.390 -26.384 -24.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.420 -25.360 -23.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.072 -24.726 -24.592 1.00 0.00 H new ATOM 819 N ASP A 57 -5.891 -27.756 -19.691 1.00 0.00 N ATOM 820 CA ASP A 57 -5.626 -28.838 -18.753 1.00 0.00 C ATOM 821 C ASP A 57 -4.133 -29.140 -18.713 1.00 0.00 C ATOM 822 O ASP A 57 -3.439 -29.019 -19.722 1.00 0.00 O ATOM 823 CB ASP A 57 -6.394 -30.094 -19.172 1.00 0.00 C ATOM 824 CG ASP A 57 -7.886 -29.903 -18.916 1.00 0.00 C ATOM 825 OD1 ASP A 57 -8.661 -30.702 -19.415 1.00 0.00 O ATOM 826 OD2 ASP A 57 -8.232 -28.958 -18.226 1.00 0.00 O ATOM 0 H ASP A 57 -6.511 -28.001 -20.463 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.956 -28.531 -17.760 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.221 -30.300 -20.228 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -6.029 -30.957 -18.615 1.00 0.00 H new ATOM 831 N GLY A 58 -3.638 -29.529 -17.542 1.00 0.00 N ATOM 832 CA GLY A 58 -2.222 -29.836 -17.392 1.00 0.00 C ATOM 833 C GLY A 58 -1.401 -28.559 -17.249 1.00 0.00 C ATOM 834 O GLY A 58 -0.181 -28.576 -17.406 1.00 0.00 O ATOM 0 H GLY A 58 -4.191 -29.638 -16.692 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.074 -30.469 -16.517 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.875 -30.402 -18.257 1.00 0.00 H new ATOM 838 N GLU A 59 -2.078 -27.456 -16.945 1.00 0.00 N ATOM 839 CA GLU A 59 -1.402 -26.174 -16.776 1.00 0.00 C ATOM 840 C GLU A 59 -1.806 -25.525 -15.455 1.00 0.00 C ATOM 841 O GLU A 59 -2.927 -25.714 -14.980 1.00 0.00 O ATOM 842 CB GLU A 59 -1.741 -25.239 -17.933 1.00 0.00 C ATOM 843 CG GLU A 59 -1.097 -25.767 -19.215 1.00 0.00 C ATOM 844 CD GLU A 59 -1.524 -24.916 -20.406 1.00 0.00 C ATOM 845 OE1 GLU A 59 -2.414 -24.099 -20.236 1.00 0.00 O ATOM 846 OE2 GLU A 59 -0.955 -25.095 -21.470 1.00 0.00 O ATOM 0 H GLU A 59 -3.089 -27.424 -16.811 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.327 -26.354 -16.766 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.822 -25.172 -18.056 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.381 -24.232 -17.720 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.011 -25.752 -19.118 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -1.389 -26.805 -19.377 1.00 0.00 H new ATOM 853 N TRP A 60 -0.890 -24.764 -14.863 1.00 0.00 N ATOM 854 CA TRP A 60 -1.173 -24.101 -13.598 1.00 0.00 C ATOM 855 C TRP A 60 -0.610 -22.683 -13.597 1.00 0.00 C ATOM 856 O TRP A 60 0.402 -22.405 -14.241 1.00 0.00 O ATOM 857 CB TRP A 60 -0.561 -24.891 -12.441 1.00 0.00 C ATOM 858 CG TRP A 60 -0.964 -26.328 -12.546 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.110 -27.355 -12.756 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.296 -26.914 -12.463 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.830 -28.534 -12.799 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.181 -28.316 -12.626 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.580 -26.374 -12.262 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.298 -29.151 -12.589 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.706 -27.214 -12.226 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.565 -28.599 -12.390 1.00 0.00 C ATOM 0 H TRP A 60 0.044 -24.593 -15.235 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.255 -24.053 -13.473 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.525 -24.805 -12.463 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.894 -24.478 -11.489 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.960 -27.268 -12.871 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.413 -29.454 -12.941 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.701 -25.308 -12.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.183 -30.218 -12.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.687 -26.790 -12.071 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.435 -29.238 -12.362 1.00 0.00 H new ATOM 877 N LEU A 61 -1.268 -21.795 -12.864 1.00 0.00 N ATOM 878 CA LEU A 61 -0.828 -20.408 -12.770 1.00 0.00 C ATOM 879 C LEU A 61 -0.225 -20.158 -11.391 1.00 0.00 C ATOM 880 O LEU A 61 -0.747 -20.639 -10.385 1.00 0.00 O ATOM 881 CB LEU A 61 -2.012 -19.468 -13.004 1.00 0.00 C ATOM 882 CG LEU A 61 -1.529 -18.020 -12.948 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.480 -17.799 -14.041 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.715 -17.081 -13.182 1.00 0.00 C ATOM 0 H LEU A 61 -2.108 -22.009 -12.326 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.073 -20.216 -13.532 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.468 -19.674 -13.972 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.779 -19.637 -12.248 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.090 -17.814 -11.972 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.131 -16.767 -14.007 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.362 -18.472 -13.879 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.923 -18.000 -15.016 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.373 -16.047 -13.143 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.151 -17.282 -14.161 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.466 -17.245 -12.410 1.00 0.00 H new ATOM 896 N ASN A 62 0.876 -19.418 -11.344 1.00 0.00 N ATOM 897 CA ASN A 62 1.533 -19.133 -10.074 1.00 0.00 C ATOM 898 C ASN A 62 1.232 -17.717 -9.595 1.00 0.00 C ATOM 899 O ASN A 62 1.313 -16.756 -10.359 1.00 0.00 O ATOM 900 CB ASN A 62 3.045 -19.303 -10.226 1.00 0.00 C ATOM 901 CG ASN A 62 3.456 -20.724 -9.857 1.00 0.00 C ATOM 902 OD1 ASN A 62 3.604 -21.576 -10.734 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.657 -21.032 -8.603 1.00 0.00 N ATOM 0 H ASN A 62 1.329 -19.008 -12.161 1.00 0.00 H new ATOM 0 HA ASN A 62 1.149 -19.835 -9.334 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.341 -19.086 -11.252 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.564 -18.589 -9.587 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.937 -21.979 -8.349 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.534 -20.325 -7.878 1.00 0.00 H new ATOM 910 N VAL A 63 0.890 -17.600 -8.316 1.00 0.00 N ATOM 911 CA VAL A 63 0.585 -16.301 -7.726 1.00 0.00 C ATOM 912 C VAL A 63 1.555 -16.001 -6.587 1.00 0.00 C ATOM 913 O VAL A 63 1.718 -16.811 -5.674 1.00 0.00 O ATOM 914 CB VAL A 63 -0.849 -16.294 -7.193 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.151 -14.935 -6.556 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.823 -16.544 -8.346 1.00 0.00 C ATOM 0 H VAL A 63 0.817 -18.386 -7.670 1.00 0.00 H new ATOM 0 HA VAL A 63 0.688 -15.534 -8.494 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.962 -17.079 -6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.173 -14.930 -6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.458 -14.756 -5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.038 -14.150 -7.303 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.845 -16.539 -7.967 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.710 -15.760 -9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.609 -17.512 -8.800 1.00 0.00 H new ATOM 926 N SER A 64 2.199 -14.840 -6.644 1.00 0.00 N ATOM 927 CA SER A 64 3.154 -14.454 -5.609 1.00 0.00 C ATOM 928 C SER A 64 3.218 -12.934 -5.488 1.00 0.00 C ATOM 929 O SER A 64 2.589 -12.214 -6.262 1.00 0.00 O ATOM 930 CB SER A 64 4.542 -15.000 -5.947 1.00 0.00 C ATOM 931 OG SER A 64 5.438 -14.691 -4.888 1.00 0.00 O ATOM 0 H SER A 64 2.079 -14.154 -7.389 1.00 0.00 H new ATOM 0 HA SER A 64 2.824 -14.873 -4.658 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.495 -16.079 -6.096 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.900 -14.565 -6.880 1.00 0.00 H new ATOM 0 HG SER A 64 6.328 -15.041 -5.100 1.00 0.00 H new ATOM 937 N HIS A 65 3.977 -12.451 -4.508 1.00 0.00 N ATOM 938 CA HIS A 65 4.106 -11.013 -4.298 1.00 0.00 C ATOM 939 C HIS A 65 5.485 -10.678 -3.748 1.00 0.00 C ATOM 940 O HIS A 65 6.190 -11.555 -3.246 1.00 0.00 O ATOM 941 CB HIS A 65 3.046 -10.536 -3.305 1.00 0.00 C ATOM 942 CG HIS A 65 3.398 -11.035 -1.931 1.00 0.00 C ATOM 943 ND1 HIS A 65 3.210 -12.355 -1.552 1.00 0.00 N ATOM 944 CD2 HIS A 65 3.931 -10.402 -0.836 1.00 0.00 C ATOM 945 CE1 HIS A 65 3.627 -12.474 -0.278 1.00 0.00 C ATOM 946 NE2 HIS A 65 4.074 -11.313 0.207 1.00 0.00 N ATOM 0 H HIS A 65 4.506 -13.027 -3.854 1.00 0.00 H new ATOM 0 HA HIS A 65 3.969 -10.512 -5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.992 -9.447 -3.307 1.00 0.00 H new ATOM 0 HB3 HIS A 65 2.063 -10.905 -3.598 1.00 0.00 H new ATOM 0 HD2 HIS A 65 4.199 -9.357 -0.790 1.00 0.00 H new ATOM 0 HE1 HIS A 65 3.603 -13.396 0.284 1.00 0.00 H new ATOM 0 HE2 HIS A 65 4.441 -11.132 1.141 1.00 0.00 H new ATOM 954 N GLU A 66 5.868 -9.408 -3.835 1.00 0.00 N ATOM 955 CA GLU A 66 7.165 -8.977 -3.334 1.00 0.00 C ATOM 956 C GLU A 66 7.009 -8.279 -1.987 1.00 0.00 C ATOM 957 O GLU A 66 6.187 -7.374 -1.839 1.00 0.00 O ATOM 958 CB GLU A 66 7.821 -8.022 -4.333 1.00 0.00 C ATOM 959 CG GLU A 66 9.191 -7.593 -3.805 1.00 0.00 C ATOM 960 CD GLU A 66 9.878 -6.683 -4.816 1.00 0.00 C ATOM 961 OE1 GLU A 66 10.986 -6.254 -4.540 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.286 -6.428 -5.852 1.00 0.00 O ATOM 0 H GLU A 66 5.302 -8.665 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 66 7.797 -9.856 -3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.929 -8.510 -5.302 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.188 -7.148 -4.486 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.077 -7.073 -2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.808 -8.471 -3.616 1.00 0.00 H new