USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=15 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 20 TYR OH : rot 180:sc= 0.0114 USER MOD Set 1.2: A 62 ASN : amide:sc= 1.49 K(o=1.6,f=0.36) USER MOD Set 1.3: A 64 SER OG : rot 93:sc= 0.102 USER MOD Set 2.1: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 11 ASN : amide:sc= -1.06 X(o=-1.1,f=-0.59) USER MOD Set 3.1: A 6 SER OG : rot 10:sc= -0.822 USER MOD Set 3.2: A 48 MET CE :methyl 159:sc= -6.12! (180deg=-5.15!) USER MOD Set 3.3: A 51 LYS NZ :NH3+ -147:sc= -0.243 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 111:sc= -0.698! USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 130:sc= -1.35 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -51:sc= 0.0516 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -8.44! C(o=-8.4!,f=-19!) USER MOD Single : A 54 GLN : amide:sc= -4.93! C(o=-4.9!,f=-12!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HE2:sc= -11.6! C(o=-12!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 3.654 -6.064 -3.679 1.00 0.00 N ATOM 31 CA THR A 3 3.315 -6.297 -5.079 1.00 0.00 C ATOM 32 C THR A 3 3.096 -7.780 -5.339 1.00 0.00 C ATOM 33 O THR A 3 3.721 -8.632 -4.707 1.00 0.00 O ATOM 34 CB THR A 3 4.445 -5.784 -5.976 1.00 0.00 C ATOM 35 OG1 THR A 3 4.011 -5.782 -7.328 1.00 0.00 O ATOM 36 CG2 THR A 3 5.662 -6.698 -5.833 1.00 0.00 C ATOM 0 HA THR A 3 2.393 -5.761 -5.305 1.00 0.00 H new ATOM 0 HB THR A 3 4.714 -4.770 -5.679 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.733 -5.452 -7.903 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.467 -6.334 -6.471 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.995 -6.701 -4.795 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.393 -7.711 -6.131 1.00 0.00 H new ATOM 44 N PHE A 4 2.193 -8.081 -6.265 1.00 0.00 N ATOM 45 CA PHE A 4 1.882 -9.465 -6.593 1.00 0.00 C ATOM 46 C PHE A 4 2.377 -9.812 -7.991 1.00 0.00 C ATOM 47 O PHE A 4 2.211 -9.037 -8.933 1.00 0.00 O ATOM 48 CB PHE A 4 0.371 -9.677 -6.516 1.00 0.00 C ATOM 49 CG PHE A 4 -0.111 -9.409 -5.110 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.609 -8.145 -4.770 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.056 -10.422 -4.146 1.00 0.00 C ATOM 52 CE1 PHE A 4 -1.054 -7.895 -3.466 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.502 -10.173 -2.842 1.00 0.00 C ATOM 54 CZ PHE A 4 -0.999 -8.909 -2.503 1.00 0.00 C ATOM 0 H PHE A 4 1.667 -7.389 -6.799 1.00 0.00 H new ATOM 0 HA PHE A 4 2.384 -10.116 -5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.135 -9.013 -7.217 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.122 -10.697 -6.808 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.650 -7.363 -5.514 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.330 -11.396 -4.408 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.439 -6.921 -3.204 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.463 -10.955 -2.099 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.341 -8.716 -1.497 1.00 0.00 H new ATOM 64 N THR A 5 2.989 -10.984 -8.114 1.00 0.00 N ATOM 65 CA THR A 5 3.514 -11.430 -9.396 1.00 0.00 C ATOM 66 C THR A 5 3.041 -12.847 -9.711 1.00 0.00 C ATOM 67 O THR A 5 2.635 -13.589 -8.815 1.00 0.00 O ATOM 68 CB THR A 5 5.042 -11.392 -9.367 1.00 0.00 C ATOM 69 OG1 THR A 5 5.516 -12.283 -8.368 1.00 0.00 O ATOM 70 CG2 THR A 5 5.512 -9.971 -9.052 1.00 0.00 C ATOM 0 H THR A 5 3.133 -11.639 -7.345 1.00 0.00 H new ATOM 0 HA THR A 5 3.145 -10.761 -10.173 1.00 0.00 H new ATOM 0 HB THR A 5 5.433 -11.694 -10.339 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.496 -12.262 -8.349 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.601 -9.944 -9.031 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.147 -9.288 -9.819 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.123 -9.666 -8.080 1.00 0.00 H new ATOM 78 N SER A 6 3.093 -13.214 -10.988 1.00 0.00 N ATOM 79 CA SER A 6 2.664 -14.545 -11.406 1.00 0.00 C ATOM 80 C SER A 6 3.371 -14.971 -12.686 1.00 0.00 C ATOM 81 O SER A 6 3.927 -14.145 -13.410 1.00 0.00 O ATOM 82 CB SER A 6 1.152 -14.558 -11.629 1.00 0.00 C ATOM 83 OG SER A 6 0.832 -13.722 -12.734 1.00 0.00 O ATOM 0 H SER A 6 3.424 -12.616 -11.745 1.00 0.00 H new ATOM 0 HA SER A 6 2.925 -15.249 -10.616 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.809 -15.576 -11.817 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.638 -14.209 -10.733 1.00 0.00 H new ATOM 0 HG SER A 6 1.656 -13.463 -13.197 1.00 0.00 H new ATOM 89 N ILE A 7 3.350 -16.274 -12.951 1.00 0.00 N ATOM 90 CA ILE A 7 3.992 -16.826 -14.137 1.00 0.00 C ATOM 91 C ILE A 7 3.242 -18.078 -14.579 1.00 0.00 C ATOM 92 O ILE A 7 2.551 -18.702 -13.774 1.00 0.00 O ATOM 93 CB ILE A 7 5.441 -17.179 -13.807 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.228 -17.383 -15.100 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.474 -18.469 -12.986 1.00 0.00 C ATOM 96 CD1 ILE A 7 7.722 -17.342 -14.782 1.00 0.00 C ATOM 0 H ILE A 7 2.894 -16.968 -12.358 1.00 0.00 H new ATOM 0 HA ILE A 7 3.974 -16.093 -14.943 1.00 0.00 H new ATOM 0 HB ILE A 7 5.889 -16.367 -13.235 1.00 0.00 H new ATOM 0 HG12 ILE A 7 5.965 -18.338 -15.554 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.975 -16.607 -15.822 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.507 -18.723 -12.749 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.914 -18.326 -12.062 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.024 -19.278 -13.561 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.293 -17.487 -15.699 1.00 0.00 H new ATOM 0 HD12 ILE A 7 7.975 -16.376 -14.346 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.965 -18.134 -14.074 1.00 0.00 H new ATOM 108 N VAL A 8 3.361 -18.450 -15.851 1.00 0.00 N ATOM 109 CA VAL A 8 2.658 -19.634 -16.329 1.00 0.00 C ATOM 110 C VAL A 8 3.573 -20.857 -16.334 1.00 0.00 C ATOM 111 O VAL A 8 4.408 -21.029 -17.223 1.00 0.00 O ATOM 112 CB VAL A 8 2.129 -19.392 -17.743 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.406 -20.646 -18.238 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.155 -18.213 -17.726 1.00 0.00 C ATOM 0 H VAL A 8 3.921 -17.964 -16.551 1.00 0.00 H new ATOM 0 HA VAL A 8 1.827 -19.826 -15.651 1.00 0.00 H new ATOM 0 HB VAL A 8 2.961 -19.166 -18.410 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.029 -20.474 -19.246 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.100 -21.486 -18.249 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.573 -20.872 -17.572 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.777 -18.039 -18.733 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.322 -18.439 -17.060 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.671 -17.320 -17.373 1.00 0.00 H new ATOM 124 N THR A 9 3.369 -21.716 -15.344 1.00 0.00 N ATOM 125 CA THR A 9 4.125 -22.957 -15.215 1.00 0.00 C ATOM 126 C THR A 9 3.271 -23.952 -14.448 1.00 0.00 C ATOM 127 O THR A 9 2.424 -23.541 -13.656 1.00 0.00 O ATOM 128 CB THR A 9 5.426 -22.718 -14.447 1.00 0.00 C ATOM 129 OG1 THR A 9 6.279 -23.844 -14.607 1.00 0.00 O ATOM 130 CG2 THR A 9 5.107 -22.533 -12.961 1.00 0.00 C ATOM 0 H THR A 9 2.677 -21.574 -14.609 1.00 0.00 H new ATOM 0 HA THR A 9 4.373 -23.337 -16.206 1.00 0.00 H new ATOM 0 HB THR A 9 5.921 -21.826 -14.831 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.114 -23.694 -14.117 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.031 -22.362 -12.409 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.445 -21.676 -12.835 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.617 -23.429 -12.580 1.00 0.00 H new ATOM 138 N THR A 10 3.476 -25.249 -14.638 1.00 0.00 N ATOM 139 CA THR A 10 2.667 -26.183 -13.875 1.00 0.00 C ATOM 140 C THR A 10 3.513 -27.238 -13.171 1.00 0.00 C ATOM 141 O THR A 10 3.805 -28.295 -13.731 1.00 0.00 O ATOM 142 CB THR A 10 1.689 -26.887 -14.814 1.00 0.00 C ATOM 143 OG1 THR A 10 1.326 -28.145 -14.262 1.00 0.00 O ATOM 144 CG2 THR A 10 2.353 -27.103 -16.175 1.00 0.00 C ATOM 0 H THR A 10 4.156 -25.660 -15.277 1.00 0.00 H new ATOM 0 HA THR A 10 2.137 -25.611 -13.113 1.00 0.00 H new ATOM 0 HB THR A 10 0.798 -26.271 -14.937 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.386 -28.122 -13.987 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.655 -27.605 -16.845 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.634 -26.139 -16.600 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.244 -27.719 -16.052 1.00 0.00 H new ATOM 152 N ASN A 11 3.890 -26.944 -11.928 1.00 0.00 N ATOM 153 CA ASN A 11 4.685 -27.874 -11.141 1.00 0.00 C ATOM 154 C ASN A 11 4.310 -27.785 -9.667 1.00 0.00 C ATOM 155 O ASN A 11 5.179 -27.749 -8.795 1.00 0.00 O ATOM 156 CB ASN A 11 6.173 -27.567 -11.311 1.00 0.00 C ATOM 157 CG ASN A 11 6.583 -27.769 -12.766 1.00 0.00 C ATOM 158 OD1 ASN A 11 7.063 -26.838 -13.413 1.00 0.00 O ATOM 159 ND2 ASN A 11 6.419 -28.938 -13.323 1.00 0.00 N ATOM 0 H ASN A 11 3.658 -26.074 -11.450 1.00 0.00 H new ATOM 0 HA ASN A 11 4.482 -28.884 -11.496 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.379 -26.541 -11.005 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.763 -28.216 -10.664 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.689 -29.082 -14.296 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.021 -29.708 -12.785 1.00 0.00 H new ATOM 246 N GLU A 18 2.453 -23.607 -2.153 1.00 0.00 N ATOM 247 CA GLU A 18 2.263 -22.809 -3.358 1.00 0.00 C ATOM 248 C GLU A 18 0.792 -22.822 -3.756 1.00 0.00 C ATOM 249 O GLU A 18 0.126 -23.852 -3.635 1.00 0.00 O ATOM 250 CB GLU A 18 3.111 -23.362 -4.504 1.00 0.00 C ATOM 251 CG GLU A 18 4.595 -23.239 -4.148 1.00 0.00 C ATOM 252 CD GLU A 18 5.049 -24.471 -3.377 1.00 0.00 C ATOM 253 OE1 GLU A 18 4.197 -25.259 -2.999 1.00 0.00 O ATOM 254 OE2 GLU A 18 6.244 -24.611 -3.174 1.00 0.00 O ATOM 0 HA GLU A 18 2.576 -21.785 -3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.856 -24.406 -4.688 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.900 -22.815 -5.423 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.188 -23.129 -5.056 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.761 -22.343 -3.549 1.00 0.00 H new ATOM 261 N PHE A 19 0.278 -21.695 -4.235 1.00 0.00 N ATOM 262 CA PHE A 19 -1.119 -21.640 -4.638 1.00 0.00 C ATOM 263 C PHE A 19 -1.232 -21.521 -6.153 1.00 0.00 C ATOM 264 O PHE A 19 -0.646 -20.628 -6.763 1.00 0.00 O ATOM 265 CB PHE A 19 -1.827 -20.453 -3.985 1.00 0.00 C ATOM 266 CG PHE A 19 -3.302 -20.531 -4.304 1.00 0.00 C ATOM 267 CD1 PHE A 19 -3.826 -19.849 -5.410 1.00 0.00 C ATOM 268 CD2 PHE A 19 -4.147 -21.299 -3.493 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.193 -19.937 -5.702 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.511 -21.386 -3.785 1.00 0.00 C ATOM 271 CZ PHE A 19 -6.034 -20.705 -4.889 1.00 0.00 C ATOM 0 H PHE A 19 0.796 -20.824 -4.352 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.597 -22.563 -4.310 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -1.673 -20.468 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.410 -19.516 -4.353 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.176 -19.256 -6.037 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.744 -21.825 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.598 -19.412 -6.555 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.161 -21.979 -3.158 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.088 -20.772 -5.114 1.00 0.00 H new ATOM 281 N TYR A 20 -2.002 -22.420 -6.749 1.00 0.00 N ATOM 282 CA TYR A 20 -2.201 -22.403 -8.192 1.00 0.00 C ATOM 283 C TYR A 20 -3.685 -22.488 -8.521 1.00 0.00 C ATOM 284 O TYR A 20 -4.440 -23.190 -7.848 1.00 0.00 O ATOM 285 CB TYR A 20 -1.466 -23.578 -8.839 1.00 0.00 C ATOM 286 CG TYR A 20 0.018 -23.451 -8.582 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.816 -22.701 -9.453 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.592 -24.085 -7.474 1.00 0.00 C ATOM 289 CE1 TYR A 20 2.190 -22.585 -9.217 1.00 0.00 C ATOM 290 CE2 TYR A 20 1.967 -23.969 -7.237 1.00 0.00 C ATOM 291 CZ TYR A 20 2.767 -23.219 -8.109 1.00 0.00 C ATOM 292 OH TYR A 20 4.122 -23.104 -7.876 1.00 0.00 O ATOM 0 H TYR A 20 -2.497 -23.166 -6.260 1.00 0.00 H new ATOM 0 HA TYR A 20 -1.801 -21.468 -8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -1.836 -24.520 -8.433 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.659 -23.595 -9.912 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.371 -22.212 -10.307 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.025 -24.663 -6.802 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.806 -22.006 -9.889 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.411 -24.458 -6.382 1.00 0.00 H new ATOM 0 HH TYR A 20 4.358 -23.603 -7.066 1.00 0.00 H new ATOM 302 N VAL A 21 -4.103 -21.773 -9.560 1.00 0.00 N ATOM 303 CA VAL A 21 -5.503 -21.787 -9.959 1.00 0.00 C ATOM 304 C VAL A 21 -5.753 -22.892 -10.977 1.00 0.00 C ATOM 305 O VAL A 21 -5.179 -22.887 -12.067 1.00 0.00 O ATOM 306 CB VAL A 21 -5.894 -20.440 -10.568 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.340 -20.503 -11.061 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.771 -19.344 -9.507 1.00 0.00 C ATOM 0 H VAL A 21 -3.500 -21.184 -10.134 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.109 -21.972 -9.072 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.231 -20.216 -11.404 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.619 -19.543 -11.495 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.433 -21.283 -11.816 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.000 -20.728 -10.224 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.050 -18.384 -9.942 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.434 -19.570 -8.672 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.742 -19.296 -9.151 1.00 0.00 H new ATOM 318 N GLU A 22 -6.620 -23.830 -10.621 1.00 0.00 N ATOM 319 CA GLU A 22 -6.945 -24.929 -11.517 1.00 0.00 C ATOM 320 C GLU A 22 -7.625 -24.386 -12.766 1.00 0.00 C ATOM 321 O GLU A 22 -8.468 -23.495 -12.682 1.00 0.00 O ATOM 322 CB GLU A 22 -7.876 -25.921 -10.812 1.00 0.00 C ATOM 323 CG GLU A 22 -7.988 -27.201 -11.645 1.00 0.00 C ATOM 324 CD GLU A 22 -8.998 -27.003 -12.770 1.00 0.00 C ATOM 325 OE1 GLU A 22 -9.885 -26.182 -12.605 1.00 0.00 O ATOM 326 OE2 GLU A 22 -8.870 -27.676 -13.779 1.00 0.00 O ATOM 0 H GLU A 22 -7.107 -23.852 -9.725 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.026 -25.443 -11.800 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.491 -26.154 -9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.862 -25.476 -10.676 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.014 -27.461 -12.061 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.296 -28.032 -11.011 1.00 0.00 H new ATOM 333 N ALA A 23 -7.254 -24.909 -13.926 1.00 0.00 N ATOM 334 CA ALA A 23 -7.854 -24.433 -15.161 1.00 0.00 C ATOM 335 C ALA A 23 -9.371 -24.438 -15.028 1.00 0.00 C ATOM 336 O ALA A 23 -9.973 -25.467 -14.720 1.00 0.00 O ATOM 337 CB ALA A 23 -7.435 -25.327 -16.329 1.00 0.00 C ATOM 0 H ALA A 23 -6.557 -25.646 -14.037 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.511 -23.417 -15.354 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.891 -24.961 -17.249 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.350 -25.310 -16.429 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.766 -26.349 -16.142 1.00 0.00 H new ATOM 343 N GLY A 24 -9.983 -23.284 -15.259 1.00 0.00 N ATOM 344 CA GLY A 24 -11.433 -23.170 -15.157 1.00 0.00 C ATOM 345 C GLY A 24 -11.884 -23.035 -13.701 1.00 0.00 C ATOM 346 O GLY A 24 -13.069 -23.187 -13.399 1.00 0.00 O ATOM 0 H GLY A 24 -9.504 -22.421 -15.516 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.772 -22.304 -15.726 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.900 -24.048 -15.604 1.00 0.00 H new ATOM 350 N GLN A 25 -10.945 -22.745 -12.799 1.00 0.00 N ATOM 351 CA GLN A 25 -11.287 -22.591 -11.387 1.00 0.00 C ATOM 352 C GLN A 25 -11.034 -21.162 -10.921 1.00 0.00 C ATOM 353 O GLN A 25 -10.125 -20.489 -11.408 1.00 0.00 O ATOM 354 CB GLN A 25 -10.474 -23.561 -10.525 1.00 0.00 C ATOM 355 CG GLN A 25 -11.258 -24.862 -10.337 1.00 0.00 C ATOM 356 CD GLN A 25 -11.431 -25.157 -8.852 1.00 0.00 C ATOM 357 OE1 GLN A 25 -12.429 -24.763 -8.251 1.00 0.00 O ATOM 358 NE2 GLN A 25 -10.508 -25.829 -8.218 1.00 0.00 N ATOM 0 H GLN A 25 -9.957 -22.614 -13.017 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.347 -22.817 -11.276 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.515 -23.768 -10.999 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -10.260 -23.110 -9.556 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.234 -24.781 -10.816 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.733 -25.686 -10.821 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.681 -26.155 -8.718 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -10.614 -26.028 -7.223 1.00 0.00 H new ATOM 367 N GLN A 26 -11.852 -20.704 -9.981 1.00 0.00 N ATOM 368 CA GLN A 26 -11.725 -19.351 -9.452 1.00 0.00 C ATOM 369 C GLN A 26 -10.572 -19.251 -8.457 1.00 0.00 C ATOM 370 O GLN A 26 -10.207 -20.229 -7.806 1.00 0.00 O ATOM 371 CB GLN A 26 -13.029 -18.938 -8.766 1.00 0.00 C ATOM 372 CG GLN A 26 -14.149 -18.860 -9.804 1.00 0.00 C ATOM 373 CD GLN A 26 -15.456 -18.446 -9.133 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.462 -17.561 -8.278 1.00 0.00 O ATOM 375 NE2 GLN A 26 -16.569 -19.038 -9.473 1.00 0.00 N ATOM 0 H GLN A 26 -12.610 -21.249 -9.570 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.517 -18.681 -10.286 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -13.288 -19.658 -7.990 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -12.905 -17.972 -8.276 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -13.886 -18.142 -10.581 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -14.272 -19.827 -10.292 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -16.561 -19.771 -10.182 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -17.447 -18.767 -9.030 1.00 0.00 H new ATOM 384 N PHE A 27 -10.011 -18.049 -8.344 1.00 0.00 N ATOM 385 CA PHE A 27 -8.904 -17.810 -7.423 1.00 0.00 C ATOM 386 C PHE A 27 -9.426 -17.377 -6.060 1.00 0.00 C ATOM 387 O PHE A 27 -10.146 -16.385 -5.942 1.00 0.00 O ATOM 388 CB PHE A 27 -7.974 -16.732 -7.984 1.00 0.00 C ATOM 389 CG PHE A 27 -6.887 -16.429 -6.981 1.00 0.00 C ATOM 390 CD1 PHE A 27 -5.771 -17.265 -6.882 1.00 0.00 C ATOM 391 CD2 PHE A 27 -6.998 -15.310 -6.146 1.00 0.00 C ATOM 392 CE1 PHE A 27 -4.764 -16.984 -5.950 1.00 0.00 C ATOM 393 CE2 PHE A 27 -5.992 -15.028 -5.215 1.00 0.00 C ATOM 394 CZ PHE A 27 -4.875 -15.864 -5.117 1.00 0.00 C ATOM 0 H PHE A 27 -10.303 -17.229 -8.876 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.348 -18.740 -7.308 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.533 -17.070 -8.922 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.541 -15.828 -8.205 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.685 -18.129 -7.525 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.861 -14.664 -6.221 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.902 -17.631 -5.874 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.078 -14.165 -4.572 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.098 -15.646 -4.399 1.00 0.00 H new ATOM 404 N ASP A 28 -9.055 -18.134 -5.036 1.00 0.00 N ATOM 405 CA ASP A 28 -9.485 -17.835 -3.679 1.00 0.00 C ATOM 406 C ASP A 28 -8.599 -16.758 -3.062 1.00 0.00 C ATOM 407 O ASP A 28 -7.574 -17.056 -2.449 1.00 0.00 O ATOM 408 CB ASP A 28 -9.424 -19.104 -2.831 1.00 0.00 C ATOM 409 CG ASP A 28 -7.996 -19.637 -2.784 1.00 0.00 C ATOM 410 OD1 ASP A 28 -7.134 -19.021 -3.388 1.00 0.00 O ATOM 411 OD2 ASP A 28 -7.785 -20.654 -2.144 1.00 0.00 O ATOM 0 H ASP A 28 -8.459 -18.957 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.510 -17.466 -3.709 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.775 -18.892 -1.821 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.089 -19.861 -3.247 1.00 0.00 H new ATOM 416 N ASP A 29 -9.000 -15.503 -3.233 1.00 0.00 N ATOM 417 CA ASP A 29 -8.233 -14.388 -2.695 1.00 0.00 C ATOM 418 C ASP A 29 -8.162 -14.457 -1.173 1.00 0.00 C ATOM 419 O ASP A 29 -7.172 -14.042 -0.573 1.00 0.00 O ATOM 420 CB ASP A 29 -8.869 -13.062 -3.119 1.00 0.00 C ATOM 421 CG ASP A 29 -10.300 -12.975 -2.599 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.744 -13.924 -1.975 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.933 -11.958 -2.836 1.00 0.00 O ATOM 0 H ASP A 29 -9.846 -15.234 -3.736 1.00 0.00 H new ATOM 0 HA ASP A 29 -7.220 -14.451 -3.092 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.282 -12.229 -2.732 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.863 -12.979 -4.206 1.00 0.00 H new ATOM 428 N SER A 30 -9.212 -14.987 -0.552 1.00 0.00 N ATOM 429 CA SER A 30 -9.237 -15.106 0.900 1.00 0.00 C ATOM 430 C SER A 30 -8.136 -16.048 1.379 1.00 0.00 C ATOM 431 O SER A 30 -7.387 -15.727 2.302 1.00 0.00 O ATOM 432 CB SER A 30 -10.597 -15.633 1.357 1.00 0.00 C ATOM 433 OG SER A 30 -10.602 -15.755 2.773 1.00 0.00 O ATOM 0 H SER A 30 -10.046 -15.336 -1.025 1.00 0.00 H new ATOM 0 HA SER A 30 -9.067 -14.119 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.389 -14.956 1.036 1.00 0.00 H new ATOM 0 HB3 SER A 30 -10.799 -16.600 0.896 1.00 0.00 H new ATOM 0 HG SER A 30 -11.473 -16.091 3.069 1.00 0.00 H new ATOM 439 N ALA A 31 -8.046 -17.214 0.745 1.00 0.00 N ATOM 440 CA ALA A 31 -7.033 -18.198 1.112 1.00 0.00 C ATOM 441 C ALA A 31 -5.633 -17.668 0.828 1.00 0.00 C ATOM 442 O ALA A 31 -4.713 -17.852 1.626 1.00 0.00 O ATOM 443 CB ALA A 31 -7.258 -19.492 0.328 1.00 0.00 C ATOM 0 H ALA A 31 -8.658 -17.499 -0.020 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.120 -18.396 2.180 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.499 -20.223 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.246 -19.890 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.190 -19.287 -0.740 1.00 0.00 H new ATOM 449 N TYR A 32 -5.479 -17.011 -0.317 1.00 0.00 N ATOM 450 CA TYR A 32 -4.186 -16.461 -0.704 1.00 0.00 C ATOM 451 C TYR A 32 -3.717 -15.428 0.314 1.00 0.00 C ATOM 452 O TYR A 32 -2.577 -15.470 0.776 1.00 0.00 O ATOM 453 CB TYR A 32 -4.286 -15.810 -2.085 1.00 0.00 C ATOM 454 CG TYR A 32 -2.939 -15.242 -2.467 1.00 0.00 C ATOM 455 CD1 TYR A 32 -2.665 -13.889 -2.247 1.00 0.00 C ATOM 456 CD2 TYR A 32 -1.969 -16.070 -3.045 1.00 0.00 C ATOM 457 CE1 TYR A 32 -1.419 -13.361 -2.605 1.00 0.00 C ATOM 458 CE2 TYR A 32 -0.724 -15.542 -3.402 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.448 -14.187 -3.183 1.00 0.00 C ATOM 460 OH TYR A 32 0.780 -13.667 -3.535 1.00 0.00 O ATOM 0 H TYR A 32 -6.229 -16.847 -0.989 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.462 -17.275 -0.739 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.607 -16.544 -2.824 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -5.037 -15.020 -2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.414 -13.251 -1.801 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -2.182 -17.115 -3.215 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.207 -12.316 -2.435 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.025 -16.180 -3.847 1.00 0.00 H new ATOM 0 HH TYR A 32 1.492 -14.233 -3.170 1.00 0.00 H new ATOM 470 N GLU A 33 -4.606 -14.505 0.664 1.00 0.00 N ATOM 471 CA GLU A 33 -4.272 -13.470 1.634 1.00 0.00 C ATOM 472 C GLU A 33 -4.060 -14.086 3.011 1.00 0.00 C ATOM 473 O GLU A 33 -3.235 -13.617 3.793 1.00 0.00 O ATOM 474 CB GLU A 33 -5.393 -12.429 1.701 1.00 0.00 C ATOM 475 CG GLU A 33 -6.677 -13.092 2.198 1.00 0.00 C ATOM 476 CD GLU A 33 -7.808 -12.071 2.245 1.00 0.00 C ATOM 477 OE1 GLU A 33 -8.906 -12.447 2.621 1.00 0.00 O ATOM 478 OE2 GLU A 33 -7.560 -10.926 1.902 1.00 0.00 O ATOM 0 H GLU A 33 -5.555 -14.452 0.294 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.350 -12.982 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.109 -11.616 2.369 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.555 -11.990 0.716 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.948 -13.917 1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.517 -13.515 3.190 1.00 0.00 H new ATOM 485 N GLU A 34 -4.826 -15.129 3.304 1.00 0.00 N ATOM 486 CA GLU A 34 -4.729 -15.792 4.599 1.00 0.00 C ATOM 487 C GLU A 34 -3.327 -16.351 4.831 1.00 0.00 C ATOM 488 O GLU A 34 -2.746 -16.160 5.899 1.00 0.00 O ATOM 489 CB GLU A 34 -5.750 -16.928 4.679 1.00 0.00 C ATOM 490 CG GLU A 34 -5.632 -17.627 6.036 1.00 0.00 C ATOM 491 CD GLU A 34 -5.967 -16.650 7.156 1.00 0.00 C ATOM 492 OE1 GLU A 34 -6.604 -15.649 6.872 1.00 0.00 O ATOM 493 OE2 GLU A 34 -5.582 -16.916 8.284 1.00 0.00 O ATOM 0 H GLU A 34 -5.516 -15.532 2.669 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.937 -15.052 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.758 -16.535 4.547 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.579 -17.643 3.874 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.307 -18.482 6.074 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.621 -18.013 6.169 1.00 0.00 H new ATOM 500 N ALA A 35 -2.784 -17.045 3.833 1.00 0.00 N ATOM 501 CA ALA A 35 -1.448 -17.620 3.967 1.00 0.00 C ATOM 502 C ALA A 35 -0.399 -16.525 4.151 1.00 0.00 C ATOM 503 O ALA A 35 0.472 -16.625 5.015 1.00 0.00 O ATOM 504 CB ALA A 35 -1.109 -18.447 2.726 1.00 0.00 C ATOM 0 H ALA A 35 -3.239 -17.221 2.937 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.441 -18.261 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.111 -18.872 2.834 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.836 -19.251 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.138 -17.808 1.844 1.00 0.00 H new ATOM 510 N TYR A 36 -0.484 -15.487 3.324 1.00 0.00 N ATOM 511 CA TYR A 36 0.472 -14.386 3.395 1.00 0.00 C ATOM 512 C TYR A 36 0.067 -13.379 4.466 1.00 0.00 C ATOM 513 O TYR A 36 0.876 -12.555 4.893 1.00 0.00 O ATOM 514 CB TYR A 36 0.566 -13.686 2.038 1.00 0.00 C ATOM 515 CG TYR A 36 1.171 -14.629 1.027 1.00 0.00 C ATOM 516 CD1 TYR A 36 0.342 -15.420 0.222 1.00 0.00 C ATOM 517 CD2 TYR A 36 2.562 -14.715 0.894 1.00 0.00 C ATOM 518 CE1 TYR A 36 0.903 -16.295 -0.714 1.00 0.00 C ATOM 519 CE2 TYR A 36 3.123 -15.592 -0.043 1.00 0.00 C ATOM 520 CZ TYR A 36 2.293 -16.382 -0.847 1.00 0.00 C ATOM 521 OH TYR A 36 2.846 -17.245 -1.770 1.00 0.00 O ATOM 0 H TYR A 36 -1.198 -15.385 2.603 1.00 0.00 H new ATOM 0 HA TYR A 36 1.446 -14.798 3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.424 -13.371 1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.175 -12.786 2.122 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.731 -15.354 0.324 1.00 0.00 H new ATOM 0 HD2 TYR A 36 3.202 -14.105 1.514 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.263 -16.904 -1.335 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.196 -15.659 -0.145 1.00 0.00 H new ATOM 0 HH TYR A 36 3.823 -17.181 -1.733 1.00 0.00 H new ATOM 531 N GLY A 37 -1.184 -13.452 4.899 1.00 0.00 N ATOM 532 CA GLY A 37 -1.679 -12.541 5.923 1.00 0.00 C ATOM 533 C GLY A 37 -1.923 -11.149 5.349 1.00 0.00 C ATOM 534 O GLY A 37 -2.028 -10.173 6.091 1.00 0.00 O ATOM 0 H GLY A 37 -1.870 -14.127 4.561 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.605 -12.931 6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.959 -12.480 6.739 1.00 0.00 H new ATOM 538 N VAL A 38 -2.015 -11.062 4.024 1.00 0.00 N ATOM 539 CA VAL A 38 -2.252 -9.775 3.379 1.00 0.00 C ATOM 540 C VAL A 38 -3.364 -9.876 2.337 1.00 0.00 C ATOM 541 O VAL A 38 -3.428 -10.835 1.569 1.00 0.00 O ATOM 542 CB VAL A 38 -0.969 -9.286 2.705 1.00 0.00 C ATOM 543 CG1 VAL A 38 0.106 -9.049 3.768 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.480 -10.344 1.714 1.00 0.00 C ATOM 0 H VAL A 38 -1.931 -11.853 3.386 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.560 -9.066 4.147 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.168 -8.355 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.021 -8.700 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.242 -8.297 4.476 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.306 -9.981 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.434 -9.997 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.280 -11.275 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.246 -10.515 0.957 1.00 0.00 H new ATOM 554 N SER A 39 -4.235 -8.871 2.324 1.00 0.00 N ATOM 555 CA SER A 39 -5.351 -8.839 1.382 1.00 0.00 C ATOM 556 C SER A 39 -4.860 -8.576 -0.035 1.00 0.00 C ATOM 557 O SER A 39 -3.863 -7.884 -0.243 1.00 0.00 O ATOM 558 CB SER A 39 -6.346 -7.752 1.789 1.00 0.00 C ATOM 559 OG SER A 39 -6.891 -8.068 3.062 1.00 0.00 O ATOM 0 H SER A 39 -4.190 -8.069 2.953 1.00 0.00 H new ATOM 0 HA SER A 39 -5.843 -9.812 1.404 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.849 -6.782 1.824 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.142 -7.676 1.048 1.00 0.00 H new ATOM 0 HG SER A 39 -7.230 -8.987 3.053 1.00 0.00 H new ATOM 565 N VAL A 40 -5.579 -9.125 -1.005 1.00 0.00 N ATOM 566 CA VAL A 40 -5.227 -8.936 -2.405 1.00 0.00 C ATOM 567 C VAL A 40 -6.337 -8.187 -3.134 1.00 0.00 C ATOM 568 O VAL A 40 -7.501 -8.586 -3.084 1.00 0.00 O ATOM 569 CB VAL A 40 -4.994 -10.284 -3.082 1.00 0.00 C ATOM 570 CG1 VAL A 40 -3.865 -11.027 -2.371 1.00 0.00 C ATOM 571 CG2 VAL A 40 -6.274 -11.119 -3.025 1.00 0.00 C ATOM 0 H VAL A 40 -6.406 -9.702 -0.849 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.309 -8.350 -2.450 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.718 -10.120 -4.124 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.701 -11.989 -2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.951 -10.435 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.136 -11.188 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.103 -12.080 -3.509 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.556 -11.282 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.076 -10.591 -3.540 1.00 0.00 H new ATOM 581 N PRO A 41 -5.999 -7.125 -3.810 1.00 0.00 N ATOM 582 CA PRO A 41 -6.992 -6.312 -4.573 1.00 0.00 C ATOM 583 C PRO A 41 -7.714 -7.159 -5.616 1.00 0.00 C ATOM 584 O PRO A 41 -7.126 -8.071 -6.195 1.00 0.00 O ATOM 585 CB PRO A 41 -6.133 -5.234 -5.247 1.00 0.00 C ATOM 586 CG PRO A 41 -4.890 -5.159 -4.424 1.00 0.00 C ATOM 587 CD PRO A 41 -4.641 -6.575 -3.922 1.00 0.00 C ATOM 0 HA PRO A 41 -7.774 -5.899 -3.936 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.907 -5.498 -6.280 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.650 -4.275 -5.269 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -4.049 -4.801 -5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -5.012 -4.465 -3.593 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.028 -7.149 -4.618 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.123 -6.579 -2.963 1.00 0.00 H new ATOM 595 N SER A 42 -8.992 -6.870 -5.841 1.00 0.00 N ATOM 596 CA SER A 42 -9.764 -7.638 -6.808 1.00 0.00 C ATOM 597 C SER A 42 -9.122 -7.547 -8.185 1.00 0.00 C ATOM 598 O SER A 42 -9.273 -8.446 -9.011 1.00 0.00 O ATOM 599 CB SER A 42 -11.197 -7.109 -6.872 1.00 0.00 C ATOM 600 OG SER A 42 -11.180 -5.768 -7.344 1.00 0.00 O ATOM 0 H SER A 42 -9.507 -6.123 -5.375 1.00 0.00 H new ATOM 0 HA SER A 42 -9.780 -8.681 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.798 -7.732 -7.534 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.658 -7.154 -5.885 1.00 0.00 H new ATOM 0 HG SER A 42 -12.097 -5.425 -7.388 1.00 0.00 H new ATOM 606 N ALA A 43 -8.389 -6.465 -8.419 1.00 0.00 N ATOM 607 CA ALA A 43 -7.711 -6.285 -9.696 1.00 0.00 C ATOM 608 C ALA A 43 -6.699 -7.405 -9.909 1.00 0.00 C ATOM 609 O ALA A 43 -6.573 -7.940 -11.011 1.00 0.00 O ATOM 610 CB ALA A 43 -6.997 -4.932 -9.726 1.00 0.00 C ATOM 0 H ALA A 43 -8.250 -5.708 -7.750 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.452 -6.314 -10.495 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.493 -4.807 -10.685 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.726 -4.133 -9.593 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.262 -4.891 -8.922 1.00 0.00 H new ATOM 616 N VAL A 44 -5.993 -7.768 -8.839 1.00 0.00 N ATOM 617 CA VAL A 44 -5.009 -8.841 -8.908 1.00 0.00 C ATOM 618 C VAL A 44 -5.696 -10.180 -9.149 1.00 0.00 C ATOM 619 O VAL A 44 -5.244 -10.994 -9.953 1.00 0.00 O ATOM 620 CB VAL A 44 -4.214 -8.903 -7.602 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.334 -10.155 -7.599 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.332 -7.660 -7.484 1.00 0.00 C ATOM 0 H VAL A 44 -6.085 -7.336 -7.920 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.332 -8.637 -9.737 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.903 -8.942 -6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.768 -10.199 -6.669 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.962 -11.042 -7.684 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.644 -10.117 -8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.765 -7.703 -6.554 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.643 -7.621 -8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.958 -6.768 -7.486 1.00 0.00 H new ATOM 632 N VAL A 45 -6.786 -10.403 -8.425 1.00 0.00 N ATOM 633 CA VAL A 45 -7.540 -11.645 -8.535 1.00 0.00 C ATOM 634 C VAL A 45 -8.167 -11.811 -9.917 1.00 0.00 C ATOM 635 O VAL A 45 -8.171 -12.910 -10.471 1.00 0.00 O ATOM 636 CB VAL A 45 -8.642 -11.666 -7.476 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.562 -12.865 -7.717 1.00 0.00 C ATOM 638 CG2 VAL A 45 -8.009 -11.776 -6.089 1.00 0.00 C ATOM 0 H VAL A 45 -7.168 -9.737 -7.753 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.845 -12.471 -8.380 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.225 -10.747 -7.538 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.347 -12.879 -6.961 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.012 -12.785 -8.707 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.983 -13.786 -7.655 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.793 -11.791 -5.332 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.426 -12.695 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.356 -10.920 -5.918 1.00 0.00 H new ATOM 648 N GLU A 46 -8.718 -10.729 -10.462 1.00 0.00 N ATOM 649 CA GLU A 46 -9.363 -10.806 -11.769 1.00 0.00 C ATOM 650 C GLU A 46 -8.374 -11.216 -12.856 1.00 0.00 C ATOM 651 O GLU A 46 -8.674 -12.084 -13.676 1.00 0.00 O ATOM 652 CB GLU A 46 -9.977 -9.450 -12.126 1.00 0.00 C ATOM 653 CG GLU A 46 -11.187 -9.188 -11.227 1.00 0.00 C ATOM 654 CD GLU A 46 -11.702 -7.768 -11.447 1.00 0.00 C ATOM 655 OE1 GLU A 46 -12.791 -7.476 -10.980 1.00 0.00 O ATOM 656 OE2 GLU A 46 -11.000 -6.997 -12.078 1.00 0.00 O ATOM 0 H GLU A 46 -8.731 -9.806 -10.029 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.143 -11.565 -11.712 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.238 -8.659 -11.999 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.279 -9.439 -13.173 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.976 -9.908 -11.446 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.911 -9.326 -10.182 1.00 0.00 H new ATOM 663 N GLU A 47 -7.200 -10.590 -12.873 1.00 0.00 N ATOM 664 CA GLU A 47 -6.206 -10.918 -13.887 1.00 0.00 C ATOM 665 C GLU A 47 -5.739 -12.361 -13.737 1.00 0.00 C ATOM 666 O GLU A 47 -5.553 -13.065 -14.730 1.00 0.00 O ATOM 667 CB GLU A 47 -5.007 -9.971 -13.784 1.00 0.00 C ATOM 668 CG GLU A 47 -4.331 -10.144 -12.425 1.00 0.00 C ATOM 669 CD GLU A 47 -3.134 -9.205 -12.314 1.00 0.00 C ATOM 670 OE1 GLU A 47 -2.488 -9.219 -11.280 1.00 0.00 O ATOM 671 OE2 GLU A 47 -2.882 -8.485 -13.266 1.00 0.00 O ATOM 0 H GLU A 47 -6.919 -9.868 -12.210 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.669 -10.801 -14.867 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.296 -10.180 -14.584 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.334 -8.939 -13.910 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.043 -9.935 -11.626 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.006 -11.177 -12.300 1.00 0.00 H new ATOM 678 N MET A 48 -5.574 -12.809 -12.496 1.00 0.00 N ATOM 679 CA MET A 48 -5.154 -14.183 -12.253 1.00 0.00 C ATOM 680 C MET A 48 -6.256 -15.142 -12.684 1.00 0.00 C ATOM 681 O MET A 48 -5.995 -16.185 -13.285 1.00 0.00 O ATOM 682 CB MET A 48 -4.848 -14.383 -10.767 1.00 0.00 C ATOM 683 CG MET A 48 -3.604 -13.577 -10.388 1.00 0.00 C ATOM 684 SD MET A 48 -2.196 -14.138 -11.378 1.00 0.00 S ATOM 685 CE MET A 48 -2.239 -12.810 -12.608 1.00 0.00 C ATOM 0 H MET A 48 -5.722 -12.250 -11.656 1.00 0.00 H new ATOM 0 HA MET A 48 -4.253 -14.386 -12.832 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.698 -14.064 -10.164 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.687 -15.440 -10.557 1.00 0.00 H new ATOM 0 HG2 MET A 48 -3.781 -12.515 -10.557 1.00 0.00 H new ATOM 0 HG3 MET A 48 -3.388 -13.699 -9.327 1.00 0.00 H new ATOM 0 HE1 MET A 48 -1.266 -12.731 -13.092 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.000 -13.032 -13.356 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.477 -11.867 -12.117 1.00 0.00 H new ATOM 695 N ASN A 49 -7.496 -14.764 -12.382 1.00 0.00 N ATOM 696 CA ASN A 49 -8.651 -15.574 -12.747 1.00 0.00 C ATOM 697 C ASN A 49 -8.811 -15.617 -14.262 1.00 0.00 C ATOM 698 O ASN A 49 -9.169 -16.648 -14.832 1.00 0.00 O ATOM 699 CB ASN A 49 -9.917 -14.993 -12.113 1.00 0.00 C ATOM 700 CG ASN A 49 -9.905 -15.239 -10.608 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.192 -16.121 -10.127 1.00 0.00 O ATOM 702 ND2 ASN A 49 -10.657 -14.509 -9.830 1.00 0.00 N ATOM 0 H ASN A 49 -7.725 -13.903 -11.886 1.00 0.00 H new ATOM 0 HA ASN A 49 -8.495 -16.588 -12.379 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -9.977 -13.924 -12.315 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -10.800 -15.451 -12.558 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.655 -14.668 -8.823 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.247 -13.779 -10.229 1.00 0.00 H new ATOM 709 N ALA A 50 -8.549 -14.482 -14.903 1.00 0.00 N ATOM 710 CA ALA A 50 -8.671 -14.389 -16.352 1.00 0.00 C ATOM 711 C ALA A 50 -7.714 -15.358 -17.035 1.00 0.00 C ATOM 712 O ALA A 50 -8.075 -16.011 -18.009 1.00 0.00 O ATOM 713 CB ALA A 50 -8.369 -12.960 -16.809 1.00 0.00 C ATOM 0 H ALA A 50 -8.253 -13.620 -14.445 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.692 -14.652 -16.630 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.462 -12.897 -17.893 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.075 -12.272 -16.344 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.354 -12.691 -16.516 1.00 0.00 H new ATOM 719 N LYS A 51 -6.494 -15.444 -16.519 1.00 0.00 N ATOM 720 CA LYS A 51 -5.493 -16.332 -17.097 1.00 0.00 C ATOM 721 C LYS A 51 -5.968 -17.780 -17.040 1.00 0.00 C ATOM 722 O LYS A 51 -5.766 -18.542 -17.984 1.00 0.00 O ATOM 723 CB LYS A 51 -4.173 -16.196 -16.337 1.00 0.00 C ATOM 724 CG LYS A 51 -3.556 -14.827 -16.632 1.00 0.00 C ATOM 725 CD LYS A 51 -2.235 -14.688 -15.871 1.00 0.00 C ATOM 726 CE LYS A 51 -1.615 -13.322 -16.171 1.00 0.00 C ATOM 727 NZ LYS A 51 -0.333 -13.184 -15.423 1.00 0.00 N ATOM 0 H LYS A 51 -6.175 -14.914 -15.708 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.342 -16.051 -18.139 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.344 -16.307 -15.266 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.486 -16.989 -16.634 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.385 -14.717 -17.703 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.244 -14.035 -16.336 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.407 -14.794 -14.800 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.549 -15.483 -16.164 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.437 -13.219 -17.241 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.303 -12.527 -15.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.195 -12.190 -15.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.365 -13.775 -14.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.456 -13.491 -16.027 1.00 0.00 H new ATOM 741 N ALA A 52 -6.607 -18.151 -15.937 1.00 0.00 N ATOM 742 CA ALA A 52 -7.109 -19.511 -15.774 1.00 0.00 C ATOM 743 C ALA A 52 -8.109 -19.847 -16.874 1.00 0.00 C ATOM 744 O ALA A 52 -8.178 -20.985 -17.335 1.00 0.00 O ATOM 745 CB ALA A 52 -7.783 -19.658 -14.408 1.00 0.00 C ATOM 0 H ALA A 52 -6.789 -17.534 -15.146 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.267 -20.200 -15.840 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -8.155 -20.676 -14.294 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -7.060 -19.446 -13.621 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.615 -18.957 -14.335 1.00 0.00 H new ATOM 751 N ALA A 53 -8.876 -18.848 -17.291 1.00 0.00 N ATOM 752 CA ALA A 53 -9.868 -19.041 -18.344 1.00 0.00 C ATOM 753 C ALA A 53 -9.206 -19.479 -19.649 1.00 0.00 C ATOM 754 O ALA A 53 -9.743 -20.314 -20.375 1.00 0.00 O ATOM 755 CB ALA A 53 -10.640 -17.741 -18.573 1.00 0.00 C ATOM 0 H ALA A 53 -8.832 -17.899 -16.919 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.554 -19.826 -18.025 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.379 -17.891 -19.360 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.145 -17.450 -17.652 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.947 -16.954 -18.871 1.00 0.00 H new ATOM 761 N GLN A 54 -8.036 -18.915 -19.938 1.00 0.00 N ATOM 762 CA GLN A 54 -7.312 -19.265 -21.159 1.00 0.00 C ATOM 763 C GLN A 54 -6.345 -20.424 -20.926 1.00 0.00 C ATOM 764 O GLN A 54 -5.835 -21.011 -21.879 1.00 0.00 O ATOM 765 CB GLN A 54 -6.546 -18.050 -21.688 1.00 0.00 C ATOM 766 CG GLN A 54 -7.519 -17.086 -22.374 1.00 0.00 C ATOM 767 CD GLN A 54 -8.068 -16.086 -21.369 1.00 0.00 C ATOM 768 OE1 GLN A 54 -8.031 -16.335 -20.168 1.00 0.00 O ATOM 769 NE2 GLN A 54 -8.577 -14.961 -21.790 1.00 0.00 N ATOM 0 H GLN A 54 -7.572 -18.221 -19.351 1.00 0.00 H new ATOM 0 HA GLN A 54 -8.047 -19.581 -21.899 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.035 -17.545 -20.868 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -5.778 -18.370 -22.393 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -7.011 -16.559 -23.181 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -8.338 -17.646 -22.825 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -8.606 -14.757 -22.789 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -8.946 -14.286 -21.120 1.00 0.00 H new ATOM 778 N LEU A 55 -6.092 -20.753 -19.662 1.00 0.00 N ATOM 779 CA LEU A 55 -5.181 -21.850 -19.350 1.00 0.00 C ATOM 780 C LEU A 55 -5.803 -23.200 -19.687 1.00 0.00 C ATOM 781 O LEU A 55 -6.983 -23.440 -19.427 1.00 0.00 O ATOM 782 CB LEU A 55 -4.792 -21.826 -17.869 1.00 0.00 C ATOM 783 CG LEU A 55 -3.804 -20.686 -17.613 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.608 -20.509 -16.106 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.461 -21.026 -18.261 1.00 0.00 C ATOM 0 H LEU A 55 -6.497 -20.286 -18.851 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.288 -21.714 -19.961 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.681 -21.695 -17.252 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.344 -22.778 -17.585 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.195 -19.763 -18.040 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.904 -19.697 -15.924 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.564 -20.272 -15.640 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.216 -21.432 -15.679 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.754 -20.216 -18.081 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.072 -21.949 -17.830 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.598 -21.156 -19.335 1.00 0.00 H new ATOM 797 N LYS A 56 -4.988 -24.076 -20.262 1.00 0.00 N ATOM 798 CA LYS A 56 -5.438 -25.412 -20.633 1.00 0.00 C ATOM 799 C LYS A 56 -4.977 -26.425 -19.593 1.00 0.00 C ATOM 800 O LYS A 56 -4.104 -26.130 -18.776 1.00 0.00 O ATOM 801 CB LYS A 56 -4.879 -25.790 -22.007 1.00 0.00 C ATOM 802 CG LYS A 56 -5.452 -24.849 -23.068 1.00 0.00 C ATOM 803 CD LYS A 56 -4.896 -25.227 -24.442 1.00 0.00 C ATOM 804 CE LYS A 56 -5.468 -24.285 -25.502 1.00 0.00 C ATOM 805 NZ LYS A 56 -4.919 -24.652 -26.838 1.00 0.00 N ATOM 0 H LYS A 56 -4.010 -23.885 -20.482 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.527 -25.417 -20.677 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.791 -25.726 -21.999 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.136 -26.822 -22.244 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.540 -24.912 -23.075 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.194 -23.817 -22.831 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -3.808 -25.165 -24.435 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -5.155 -26.259 -24.679 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.556 -24.350 -25.513 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.213 -23.253 -25.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.307 -24.012 -27.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -3.882 -24.568 -26.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.184 -25.632 -27.065 1.00 0.00 H new ATOM 819 N ASP A 57 -5.564 -27.615 -19.621 1.00 0.00 N ATOM 820 CA ASP A 57 -5.191 -28.650 -18.666 1.00 0.00 C ATOM 821 C ASP A 57 -3.696 -28.936 -18.759 1.00 0.00 C ATOM 822 O ASP A 57 -3.077 -28.713 -19.800 1.00 0.00 O ATOM 823 CB ASP A 57 -5.978 -29.932 -18.945 1.00 0.00 C ATOM 824 CG ASP A 57 -5.584 -30.499 -20.304 1.00 0.00 C ATOM 825 OD1 ASP A 57 -4.713 -29.923 -20.935 1.00 0.00 O ATOM 826 OD2 ASP A 57 -6.159 -31.502 -20.695 1.00 0.00 O ATOM 0 H ASP A 57 -6.290 -27.885 -20.285 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.426 -28.298 -17.661 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.781 -30.667 -18.164 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.048 -29.724 -18.925 1.00 0.00 H new ATOM 831 N GLY A 58 -3.120 -29.419 -17.664 1.00 0.00 N ATOM 832 CA GLY A 58 -1.693 -29.718 -17.637 1.00 0.00 C ATOM 833 C GLY A 58 -0.887 -28.454 -17.349 1.00 0.00 C ATOM 834 O GLY A 58 0.343 -28.476 -17.354 1.00 0.00 O ATOM 0 H GLY A 58 -3.613 -29.610 -16.792 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.487 -30.469 -16.874 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.386 -30.142 -18.593 1.00 0.00 H new ATOM 838 N GLU A 59 -1.593 -27.356 -17.095 1.00 0.00 N ATOM 839 CA GLU A 59 -0.939 -26.085 -16.798 1.00 0.00 C ATOM 840 C GLU A 59 -1.528 -25.460 -15.539 1.00 0.00 C ATOM 841 O GLU A 59 -2.698 -25.670 -15.220 1.00 0.00 O ATOM 842 CB GLU A 59 -1.094 -25.120 -17.971 1.00 0.00 C ATOM 843 CG GLU A 59 -0.269 -25.626 -19.153 1.00 0.00 C ATOM 844 CD GLU A 59 -0.508 -24.743 -20.373 1.00 0.00 C ATOM 845 OE1 GLU A 59 0.211 -24.902 -21.346 1.00 0.00 O ATOM 846 OE2 GLU A 59 -1.408 -23.920 -20.318 1.00 0.00 O ATOM 0 H GLU A 59 -2.612 -27.320 -17.089 1.00 0.00 H new ATOM 0 HA GLU A 59 0.121 -26.279 -16.633 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.144 -25.039 -18.254 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.763 -24.122 -17.682 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.790 -25.625 -18.895 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.540 -26.657 -19.381 1.00 0.00 H new ATOM 853 N TRP A 60 -0.712 -24.686 -14.829 1.00 0.00 N ATOM 854 CA TRP A 60 -1.172 -24.032 -13.614 1.00 0.00 C ATOM 855 C TRP A 60 -0.644 -22.605 -13.545 1.00 0.00 C ATOM 856 O TRP A 60 0.432 -22.304 -14.063 1.00 0.00 O ATOM 857 CB TRP A 60 -0.707 -24.810 -12.380 1.00 0.00 C ATOM 858 CG TRP A 60 -1.099 -26.246 -12.513 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.236 -27.286 -12.511 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.428 -26.817 -12.686 1.00 0.00 C ATOM 861 NE1 TRP A 60 -0.951 -28.462 -12.657 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.306 -28.225 -12.772 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.716 -26.258 -12.770 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.420 -29.048 -12.937 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.839 -27.084 -12.938 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.691 -28.476 -13.021 1.00 0.00 C ATOM 0 H TRP A 60 0.261 -24.499 -15.073 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.262 -24.008 -13.632 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.374 -24.727 -12.272 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.151 -24.384 -11.481 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.837 -27.212 -12.412 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -0.528 -29.390 -12.677 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.842 -25.187 -12.705 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.300 -30.120 -12.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.823 -26.644 -13.004 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.559 -29.105 -13.150 1.00 0.00 H new ATOM 877 N LEU A 61 -1.403 -21.734 -12.896 1.00 0.00 N ATOM 878 CA LEU A 61 -1.001 -20.341 -12.754 1.00 0.00 C ATOM 879 C LEU A 61 -0.329 -20.143 -11.400 1.00 0.00 C ATOM 880 O LEU A 61 -0.796 -20.668 -10.388 1.00 0.00 O ATOM 881 CB LEU A 61 -2.225 -19.432 -12.878 1.00 0.00 C ATOM 882 CG LEU A 61 -1.782 -17.973 -12.806 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.812 -17.689 -13.954 1.00 0.00 C ATOM 884 CD2 LEU A 61 -3.009 -17.064 -12.937 1.00 0.00 C ATOM 0 H LEU A 61 -2.296 -21.965 -12.461 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.295 -20.083 -13.543 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.739 -19.622 -13.821 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.935 -19.648 -12.079 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.289 -17.782 -11.853 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.491 -16.648 -13.910 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.057 -18.341 -13.866 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.310 -17.875 -14.906 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.696 -16.021 -12.886 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.499 -17.250 -13.893 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.706 -17.274 -12.125 1.00 0.00 H new ATOM 896 N ASN A 62 0.772 -19.398 -11.376 1.00 0.00 N ATOM 897 CA ASN A 62 1.491 -19.161 -10.130 1.00 0.00 C ATOM 898 C ASN A 62 1.265 -17.738 -9.630 1.00 0.00 C ATOM 899 O ASN A 62 1.533 -16.770 -10.341 1.00 0.00 O ATOM 900 CB ASN A 62 2.989 -19.393 -10.340 1.00 0.00 C ATOM 901 CG ASN A 62 3.745 -19.125 -9.044 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.282 -18.034 -8.851 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.823 -20.062 -8.140 1.00 0.00 N ATOM 0 H ASN A 62 1.182 -18.952 -12.197 1.00 0.00 H new ATOM 0 HA ASN A 62 1.111 -19.858 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.164 -20.418 -10.668 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.360 -18.738 -11.129 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.330 -19.892 -7.271 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.377 -20.965 -8.302 1.00 0.00 H new ATOM 910 N VAL A 63 0.775 -17.617 -8.400 1.00 0.00 N ATOM 911 CA VAL A 63 0.524 -16.305 -7.816 1.00 0.00 C ATOM 912 C VAL A 63 1.433 -16.081 -6.610 1.00 0.00 C ATOM 913 O VAL A 63 1.440 -16.878 -5.673 1.00 0.00 O ATOM 914 CB VAL A 63 -0.939 -16.195 -7.383 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.183 -14.827 -6.746 1.00 0.00 C ATOM 916 CG2 VAL A 63 -1.845 -16.358 -8.605 1.00 0.00 C ATOM 0 H VAL A 63 0.546 -18.404 -7.793 1.00 0.00 H new ATOM 0 HA VAL A 63 0.735 -15.544 -8.567 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.162 -16.977 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.226 -14.750 -6.438 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.538 -14.711 -5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.960 -14.043 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.888 -16.280 -8.298 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.621 -15.576 -9.331 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.673 -17.334 -9.058 1.00 0.00 H new ATOM 926 N SER A 64 2.196 -14.994 -6.642 1.00 0.00 N ATOM 927 CA SER A 64 3.110 -14.672 -5.552 1.00 0.00 C ATOM 928 C SER A 64 3.055 -13.180 -5.244 1.00 0.00 C ATOM 929 O SER A 64 2.481 -12.402 -6.006 1.00 0.00 O ATOM 930 CB SER A 64 4.538 -15.067 -5.930 1.00 0.00 C ATOM 931 OG SER A 64 4.590 -16.468 -6.167 1.00 0.00 O ATOM 0 H SER A 64 2.200 -14.322 -7.409 1.00 0.00 H new ATOM 0 HA SER A 64 2.807 -15.230 -4.666 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.854 -14.524 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.227 -14.796 -5.130 1.00 0.00 H new ATOM 0 HG SER A 64 4.455 -16.644 -7.122 1.00 0.00 H new ATOM 937 N HIS A 65 3.659 -12.780 -4.128 1.00 0.00 N ATOM 938 CA HIS A 65 3.672 -11.372 -3.745 1.00 0.00 C ATOM 939 C HIS A 65 4.987 -11.029 -3.057 1.00 0.00 C ATOM 940 O HIS A 65 5.681 -11.914 -2.554 1.00 0.00 O ATOM 941 CB HIS A 65 2.510 -11.077 -2.795 1.00 0.00 C ATOM 942 CG HIS A 65 2.885 -11.499 -1.401 1.00 0.00 C ATOM 943 ND1 HIS A 65 3.808 -12.400 -0.930 1.00 0.00 N flip ATOM 944 CD2 HIS A 65 2.281 -10.955 -0.278 1.00 0.00 C flip ATOM 945 CE1 HIS A 65 3.778 -12.418 0.461 1.00 0.00 C flip ATOM 946 NE2 HIS A 65 2.840 -11.530 0.803 1.00 0.00 N flip ATOM 0 H HIS A 65 4.141 -13.403 -3.480 1.00 0.00 H new ATOM 0 HA HIS A 65 3.567 -10.765 -4.644 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.272 -10.013 -2.813 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.616 -11.609 -3.120 1.00 0.00 H new ATOM 0 HD1 HIS A 65 4.422 -12.970 -1.512 1.00 0.00 H new ATOM 0 HD2 HIS A 65 1.503 -10.206 -0.272 1.00 0.00 H new ATOM 0 HE1 HIS A 65 4.383 -13.020 1.122 1.00 0.00 H new ATOM 954 N GLU A 66 5.330 -9.745 -3.036 1.00 0.00 N ATOM 955 CA GLU A 66 6.570 -9.307 -2.407 1.00 0.00 C ATOM 956 C GLU A 66 6.280 -8.615 -1.079 1.00 0.00 C ATOM 957 O GLU A 66 5.465 -7.696 -1.012 1.00 0.00 O ATOM 958 CB GLU A 66 7.306 -8.342 -3.339 1.00 0.00 C ATOM 959 CG GLU A 66 8.604 -7.880 -2.680 1.00 0.00 C ATOM 960 CD GLU A 66 9.378 -6.973 -3.632 1.00 0.00 C ATOM 961 OE1 GLU A 66 8.893 -6.748 -4.729 1.00 0.00 O ATOM 962 OE2 GLU A 66 10.442 -6.514 -3.248 1.00 0.00 O ATOM 0 H GLU A 66 4.772 -8.995 -3.444 1.00 0.00 H new ATOM 0 HA GLU A 66 7.194 -10.181 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.523 -8.832 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.674 -7.482 -3.561 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.382 -7.346 -1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.213 -8.743 -2.412 1.00 0.00 H new