USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=16 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 USER MOD Set 1.2: A 62 ASN : amide:sc= 0.241 X(o=0.24,f=-0.048) USER MOD Set 2.1: A 6 SER OG : rot -111:sc= 0 USER MOD Set 2.2: A 48 MET CE :methyl -112:sc= -6.78! (180deg=-7.4!) USER MOD Set 3.1: A 32 TYR OH : rot -114:sc= -3.94! USER MOD Set 3.2: A 65 HIS : no HD1:sc= -2.47! C(o=-6.4!,f=-16!) USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.71 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 112:sc= -0.261! USER MOD Single : A 11 ASN :FLIP amide:sc= -3.16! C(o=-3.9!,f=-3.2!) USER MOD Single : A 25 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.32) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot -95:sc= -0.489! 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 49 ASN : amide:sc= -3.56! C(o=-3.6!,f=-15!) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= -0.0738 (180deg=-0.533) USER MOD Single : A 54 GLN :FLIP amide:sc= -0.0456 F(o=-1.7!,f=-0.046) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 3.533 -5.715 -4.486 1.00 0.00 N ATOM 31 CA THR A 3 3.404 -6.098 -5.884 1.00 0.00 C ATOM 32 C THR A 3 3.096 -7.581 -6.003 1.00 0.00 C ATOM 33 O THR A 3 3.532 -8.377 -5.175 1.00 0.00 O ATOM 34 CB THR A 3 4.715 -5.800 -6.612 1.00 0.00 C ATOM 35 OG1 THR A 3 5.726 -6.676 -6.132 1.00 0.00 O ATOM 36 CG2 THR A 3 5.135 -4.358 -6.337 1.00 0.00 C ATOM 0 HA THR A 3 2.588 -5.529 -6.330 1.00 0.00 H new ATOM 0 HB THR A 3 4.576 -5.944 -7.684 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.568 -6.490 -6.597 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.070 -4.146 -6.856 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.360 -3.679 -6.693 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.275 -4.218 -5.265 1.00 0.00 H new ATOM 44 N PHE A 4 2.343 -7.949 -7.034 1.00 0.00 N ATOM 45 CA PHE A 4 1.984 -9.342 -7.246 1.00 0.00 C ATOM 46 C PHE A 4 2.593 -9.856 -8.545 1.00 0.00 C ATOM 47 O PHE A 4 2.586 -9.161 -9.561 1.00 0.00 O ATOM 48 CB PHE A 4 0.461 -9.476 -7.303 1.00 0.00 C ATOM 49 CG PHE A 4 -0.135 -9.079 -5.973 1.00 0.00 C ATOM 50 CD1 PHE A 4 -0.556 -7.761 -5.757 1.00 0.00 C ATOM 51 CD2 PHE A 4 -0.271 -10.032 -4.957 1.00 0.00 C ATOM 52 CE1 PHE A 4 -1.110 -7.397 -4.524 1.00 0.00 C ATOM 53 CE2 PHE A 4 -0.825 -9.668 -3.724 1.00 0.00 C ATOM 54 CZ PHE A 4 -1.245 -8.350 -3.507 1.00 0.00 C ATOM 0 H PHE A 4 1.972 -7.304 -7.732 1.00 0.00 H new ATOM 0 HA PHE A 4 2.372 -9.935 -6.418 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.060 -8.844 -8.095 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.185 -10.503 -7.544 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.453 -7.026 -6.541 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.052 -11.049 -5.124 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.434 -6.380 -4.357 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.928 -10.404 -2.940 1.00 0.00 H new ATOM 0 HZ PHE A 4 -1.673 -8.069 -2.556 1.00 0.00 H new ATOM 64 N THR A 5 3.126 -11.071 -8.502 1.00 0.00 N ATOM 65 CA THR A 5 3.746 -11.658 -9.681 1.00 0.00 C ATOM 66 C THR A 5 3.220 -13.068 -9.939 1.00 0.00 C ATOM 67 O THR A 5 2.704 -13.727 -9.035 1.00 0.00 O ATOM 68 CB THR A 5 5.262 -11.704 -9.490 1.00 0.00 C ATOM 69 OG1 THR A 5 5.572 -12.529 -8.376 1.00 0.00 O ATOM 70 CG2 THR A 5 5.792 -10.291 -9.246 1.00 0.00 C ATOM 0 H THR A 5 3.141 -11.663 -7.672 1.00 0.00 H new ATOM 0 HA THR A 5 3.497 -11.039 -10.543 1.00 0.00 H new ATOM 0 HB THR A 5 5.729 -12.113 -10.386 1.00 0.00 H new ATOM 0 HG1 THR A 5 6.544 -12.561 -8.253 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.873 -10.326 -9.110 1.00 0.00 H new ATOM 0 HG22 THR A 5 5.554 -9.660 -10.103 1.00 0.00 H new ATOM 0 HG23 THR A 5 5.327 -9.878 -8.351 1.00 0.00 H new ATOM 78 N SER A 6 3.358 -13.521 -11.182 1.00 0.00 N ATOM 79 CA SER A 6 2.897 -14.854 -11.558 1.00 0.00 C ATOM 80 C SER A 6 3.649 -15.365 -12.786 1.00 0.00 C ATOM 81 O SER A 6 4.251 -14.586 -13.526 1.00 0.00 O ATOM 82 CB SER A 6 1.398 -14.821 -11.856 1.00 0.00 C ATOM 83 OG SER A 6 1.167 -14.037 -13.019 1.00 0.00 O ATOM 0 H SER A 6 3.782 -12.989 -11.942 1.00 0.00 H new ATOM 0 HA SER A 6 3.091 -15.529 -10.725 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.023 -15.833 -12.006 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.856 -14.403 -11.008 1.00 0.00 H new ATOM 0 HG SER A 6 0.705 -13.210 -12.769 1.00 0.00 H new ATOM 89 N ILE A 7 3.603 -16.678 -12.995 1.00 0.00 N ATOM 90 CA ILE A 7 4.272 -17.301 -14.132 1.00 0.00 C ATOM 91 C ILE A 7 3.485 -18.532 -14.568 1.00 0.00 C ATOM 92 O ILE A 7 2.736 -19.100 -13.773 1.00 0.00 O ATOM 93 CB ILE A 7 5.696 -17.708 -13.747 1.00 0.00 C ATOM 94 CG1 ILE A 7 6.482 -18.078 -15.007 1.00 0.00 C ATOM 95 CG2 ILE A 7 5.645 -18.915 -12.807 1.00 0.00 C ATOM 96 CD1 ILE A 7 6.620 -16.844 -15.902 1.00 0.00 C ATOM 0 H ILE A 7 3.108 -17.332 -12.389 1.00 0.00 H new ATOM 0 HA ILE A 7 4.321 -16.587 -14.955 1.00 0.00 H new ATOM 0 HB ILE A 7 6.187 -16.875 -13.245 1.00 0.00 H new ATOM 0 HG12 ILE A 7 7.468 -18.456 -14.736 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.972 -18.876 -15.546 1.00 0.00 H new ATOM 0 HG21 ILE A 7 6.659 -19.205 -12.532 1.00 0.00 H new ATOM 0 HG22 ILE A 7 5.087 -18.653 -11.908 1.00 0.00 H new ATOM 0 HG23 ILE A 7 5.153 -19.747 -13.310 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.180 -17.106 -16.800 1.00 0.00 H new ATOM 0 HD12 ILE A 7 5.630 -16.486 -16.183 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.149 -16.059 -15.361 1.00 0.00 H new ATOM 108 N VAL A 8 3.640 -18.948 -15.822 1.00 0.00 N ATOM 109 CA VAL A 8 2.908 -20.117 -16.295 1.00 0.00 C ATOM 110 C VAL A 8 3.777 -21.370 -16.247 1.00 0.00 C ATOM 111 O VAL A 8 4.640 -21.586 -17.097 1.00 0.00 O ATOM 112 CB VAL A 8 2.426 -19.886 -17.729 1.00 0.00 C ATOM 113 CG1 VAL A 8 1.673 -21.124 -18.218 1.00 0.00 C ATOM 114 CG2 VAL A 8 1.494 -18.673 -17.764 1.00 0.00 C ATOM 0 H VAL A 8 4.248 -18.507 -16.512 1.00 0.00 H new ATOM 0 HA VAL A 8 2.052 -20.266 -15.637 1.00 0.00 H new ATOM 0 HB VAL A 8 3.283 -19.703 -18.377 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.329 -20.961 -19.239 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.337 -21.988 -18.192 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.815 -21.307 -17.571 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.150 -18.508 -18.785 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.636 -18.855 -17.117 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.031 -17.791 -17.415 1.00 0.00 H new ATOM 124 N THR A 9 3.504 -22.204 -15.251 1.00 0.00 N ATOM 125 CA THR A 9 4.210 -23.467 -15.071 1.00 0.00 C ATOM 126 C THR A 9 3.290 -24.424 -14.328 1.00 0.00 C ATOM 127 O THR A 9 2.430 -23.974 -13.572 1.00 0.00 O ATOM 128 CB THR A 9 5.489 -23.255 -14.260 1.00 0.00 C ATOM 129 OG1 THR A 9 6.281 -24.434 -14.314 1.00 0.00 O ATOM 130 CG2 THR A 9 5.122 -22.958 -12.805 1.00 0.00 C ATOM 0 H THR A 9 2.789 -22.025 -14.547 1.00 0.00 H new ATOM 0 HA THR A 9 4.484 -23.875 -16.044 1.00 0.00 H new ATOM 0 HB THR A 9 6.051 -22.418 -14.674 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.102 -24.300 -13.796 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.032 -22.806 -12.224 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.509 -22.058 -12.761 1.00 0.00 H new ATOM 0 HG23 THR A 9 4.563 -23.798 -12.392 1.00 0.00 H new ATOM 138 N THR A 10 3.456 -25.729 -14.499 1.00 0.00 N ATOM 139 CA THR A 10 2.585 -26.631 -13.765 1.00 0.00 C ATOM 140 C THR A 10 3.359 -27.733 -13.052 1.00 0.00 C ATOM 141 O THR A 10 3.635 -28.789 -13.621 1.00 0.00 O ATOM 142 CB THR A 10 1.590 -27.270 -14.734 1.00 0.00 C ATOM 143 OG1 THR A 10 1.206 -28.546 -14.241 1.00 0.00 O ATOM 144 CG2 THR A 10 2.237 -27.424 -16.110 1.00 0.00 C ATOM 0 H THR A 10 4.148 -26.168 -15.106 1.00 0.00 H new ATOM 0 HA THR A 10 2.069 -26.043 -13.006 1.00 0.00 H new ATOM 0 HB THR A 10 0.709 -26.634 -14.822 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.265 -28.521 -13.967 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.525 -27.880 -16.798 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.529 -26.444 -16.487 1.00 0.00 H new ATOM 0 HG23 THR A 10 3.119 -28.059 -16.028 1.00 0.00 H new ATOM 152 N ASN A 11 3.692 -27.472 -11.792 1.00 0.00 N ATOM 153 CA ASN A 11 4.422 -28.438 -10.982 1.00 0.00 C ATOM 154 C ASN A 11 4.215 -28.153 -9.497 1.00 0.00 C ATOM 155 O ASN A 11 5.160 -28.194 -8.711 1.00 0.00 O ATOM 156 CB ASN A 11 5.914 -28.375 -11.311 1.00 0.00 C ATOM 157 CG ASN A 11 6.140 -28.718 -12.779 1.00 0.00 C ATOM 158 OD1 ASN A 11 5.810 -29.900 -13.222 1.00 0.00 O flip ATOM 159 ND2 ASN A 11 6.634 -27.888 -13.543 1.00 0.00 N flip ATOM 0 H ASN A 11 3.468 -26.601 -11.311 1.00 0.00 H new ATOM 0 HA ASN A 11 4.043 -29.435 -11.208 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.300 -27.378 -11.099 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.464 -29.071 -10.678 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.891 -26.964 -13.195 1.00 0.00 H new ATOM 0 HD22 ASN A 11 6.786 -28.124 -14.524 1.00 0.00 H new ATOM 246 N GLU A 18 1.829 -23.182 -1.820 1.00 0.00 N ATOM 247 CA GLU A 18 1.729 -22.479 -3.093 1.00 0.00 C ATOM 248 C GLU A 18 0.281 -22.475 -3.571 1.00 0.00 C ATOM 249 O GLU A 18 -0.437 -23.458 -3.390 1.00 0.00 O ATOM 250 CB GLU A 18 2.618 -23.155 -4.136 1.00 0.00 C ATOM 251 CG GLU A 18 4.072 -23.126 -3.665 1.00 0.00 C ATOM 252 CD GLU A 18 4.575 -21.689 -3.612 1.00 0.00 C ATOM 253 OE1 GLU A 18 3.979 -20.849 -4.267 1.00 0.00 O ATOM 254 OE2 GLU A 18 5.550 -21.447 -2.921 1.00 0.00 O ATOM 0 HA GLU A 18 2.063 -21.450 -2.956 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.296 -24.185 -4.291 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.525 -22.644 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.153 -23.585 -2.679 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.694 -23.713 -4.341 1.00 0.00 H new ATOM 261 N PHE A 19 -0.153 -21.375 -4.175 1.00 0.00 N ATOM 262 CA PHE A 19 -1.524 -21.284 -4.657 1.00 0.00 C ATOM 263 C PHE A 19 -1.553 -21.249 -6.182 1.00 0.00 C ATOM 264 O PHE A 19 -0.897 -20.414 -6.806 1.00 0.00 O ATOM 265 CB PHE A 19 -2.193 -20.025 -4.107 1.00 0.00 C ATOM 266 CG PHE A 19 -3.675 -20.075 -4.403 1.00 0.00 C ATOM 267 CD1 PHE A 19 -4.178 -19.526 -5.590 1.00 0.00 C ATOM 268 CD2 PHE A 19 -4.546 -20.675 -3.487 1.00 0.00 C ATOM 269 CE1 PHE A 19 -5.550 -19.578 -5.858 1.00 0.00 C ATOM 270 CE2 PHE A 19 -5.918 -20.726 -3.754 1.00 0.00 C ATOM 271 CZ PHE A 19 -6.421 -20.178 -4.940 1.00 0.00 C ATOM 0 H PHE A 19 0.416 -20.545 -4.341 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.067 -22.163 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.028 -19.952 -3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.750 -19.137 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -3.507 -19.063 -6.298 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -4.158 -21.099 -2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -5.938 -19.155 -6.773 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.589 -21.188 -3.045 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.480 -20.218 -5.147 1.00 0.00 H new ATOM 281 N TYR A 20 -2.327 -22.151 -6.775 1.00 0.00 N ATOM 282 CA TYR A 20 -2.443 -22.205 -8.227 1.00 0.00 C ATOM 283 C TYR A 20 -3.907 -22.276 -8.643 1.00 0.00 C ATOM 284 O TYR A 20 -4.723 -22.908 -7.972 1.00 0.00 O ATOM 285 CB TYR A 20 -1.695 -23.424 -8.769 1.00 0.00 C ATOM 286 CG TYR A 20 -0.231 -23.316 -8.415 1.00 0.00 C ATOM 287 CD1 TYR A 20 0.253 -23.916 -7.246 1.00 0.00 C ATOM 288 CD2 TYR A 20 0.643 -22.614 -9.256 1.00 0.00 C ATOM 289 CE1 TYR A 20 1.611 -23.815 -6.918 1.00 0.00 C ATOM 290 CE2 TYR A 20 2.000 -22.513 -8.926 1.00 0.00 C ATOM 291 CZ TYR A 20 2.483 -23.114 -7.758 1.00 0.00 C ATOM 292 OH TYR A 20 3.821 -23.015 -7.434 1.00 0.00 O ATOM 0 H TYR A 20 -2.879 -22.849 -6.277 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.002 -21.298 -8.641 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.115 -24.338 -8.349 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.815 -23.486 -9.851 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -0.421 -24.456 -6.597 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.270 -22.151 -10.158 1.00 0.00 H new ATOM 0 HE1 TYR A 20 1.985 -24.278 -6.017 1.00 0.00 H new ATOM 0 HE2 TYR A 20 2.674 -21.971 -9.573 1.00 0.00 H new ATOM 0 HH TYR A 20 4.287 -22.496 -8.123 1.00 0.00 H new ATOM 302 N VAL A 21 -4.237 -21.624 -9.754 1.00 0.00 N ATOM 303 CA VAL A 21 -5.611 -21.622 -10.242 1.00 0.00 C ATOM 304 C VAL A 21 -5.783 -22.627 -11.371 1.00 0.00 C ATOM 305 O VAL A 21 -5.076 -22.573 -12.377 1.00 0.00 O ATOM 306 CB VAL A 21 -5.989 -20.232 -10.756 1.00 0.00 C ATOM 307 CG1 VAL A 21 -7.411 -20.268 -11.317 1.00 0.00 C ATOM 308 CG2 VAL A 21 -5.929 -19.224 -9.609 1.00 0.00 C ATOM 0 H VAL A 21 -3.579 -21.096 -10.328 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.261 -21.898 -9.412 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.290 -19.936 -11.538 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.683 -19.278 -11.684 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.461 -20.985 -12.136 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.105 -20.566 -10.531 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.199 -18.235 -9.979 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.627 -19.521 -8.826 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.918 -19.196 -9.202 1.00 0.00 H new ATOM 318 N GLU A 22 -6.737 -23.535 -11.207 1.00 0.00 N ATOM 319 CA GLU A 22 -7.000 -24.533 -12.232 1.00 0.00 C ATOM 320 C GLU A 22 -7.585 -23.859 -13.463 1.00 0.00 C ATOM 321 O GLU A 22 -8.410 -22.951 -13.350 1.00 0.00 O ATOM 322 CB GLU A 22 -7.984 -25.580 -11.707 1.00 0.00 C ATOM 323 CG GLU A 22 -7.300 -26.444 -10.648 1.00 0.00 C ATOM 324 CD GLU A 22 -8.325 -27.346 -9.969 1.00 0.00 C ATOM 325 OE1 GLU A 22 -7.912 -28.269 -9.286 1.00 0.00 O ATOM 326 OE2 GLU A 22 -9.507 -27.101 -10.144 1.00 0.00 O ATOM 0 H GLU A 22 -7.335 -23.600 -10.383 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.064 -25.025 -12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.859 -25.089 -11.280 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.337 -26.205 -12.527 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.520 -27.049 -11.109 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.815 -25.809 -9.907 1.00 0.00 H new ATOM 333 N ALA A 23 -7.151 -24.291 -14.640 1.00 0.00 N ATOM 334 CA ALA A 23 -7.644 -23.693 -15.873 1.00 0.00 C ATOM 335 C ALA A 23 -9.167 -23.662 -15.870 1.00 0.00 C ATOM 336 O ALA A 23 -9.819 -24.667 -15.589 1.00 0.00 O ATOM 337 CB ALA A 23 -7.147 -24.496 -17.076 1.00 0.00 C ATOM 0 H ALA A 23 -6.470 -25.040 -14.767 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.269 -22.672 -15.942 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.520 -24.043 -17.995 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.057 -24.497 -17.088 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.510 -25.521 -17.004 1.00 0.00 H new ATOM 343 N GLY A 24 -9.727 -22.501 -16.191 1.00 0.00 N ATOM 344 CA GLY A 24 -11.175 -22.351 -16.226 1.00 0.00 C ATOM 345 C GLY A 24 -11.758 -22.283 -14.816 1.00 0.00 C ATOM 346 O GLY A 24 -12.965 -22.444 -14.632 1.00 0.00 O ATOM 0 H GLY A 24 -9.205 -21.658 -16.429 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.436 -21.446 -16.774 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.617 -23.189 -16.765 1.00 0.00 H new ATOM 350 N GLN A 25 -10.903 -22.051 -13.821 1.00 0.00 N ATOM 351 CA GLN A 25 -11.370 -21.975 -12.443 1.00 0.00 C ATOM 352 C GLN A 25 -11.056 -20.612 -11.835 1.00 0.00 C ATOM 353 O GLN A 25 -10.063 -19.975 -12.188 1.00 0.00 O ATOM 354 CB GLN A 25 -10.723 -23.078 -11.605 1.00 0.00 C ATOM 355 CG GLN A 25 -11.096 -24.443 -12.186 1.00 0.00 C ATOM 356 CD GLN A 25 -12.611 -24.608 -12.200 1.00 0.00 C ATOM 357 OE1 GLN A 25 -13.258 -24.501 -11.159 1.00 0.00 O ATOM 358 NE2 GLN A 25 -13.220 -24.863 -13.326 1.00 0.00 N ATOM 0 H GLN A 25 -9.899 -21.915 -13.942 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.451 -22.112 -12.444 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -9.640 -22.957 -11.599 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -11.058 -23.007 -10.570 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -10.703 -24.536 -13.198 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.641 -25.236 -11.593 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.682 -24.951 -14.188 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -14.234 -24.974 -13.344 1.00 0.00 H new ATOM 367 N GLN A 26 -11.917 -20.172 -10.924 1.00 0.00 N ATOM 368 CA GLN A 26 -11.740 -18.881 -10.271 1.00 0.00 C ATOM 369 C GLN A 26 -10.539 -18.902 -9.331 1.00 0.00 C ATOM 370 O GLN A 26 -9.956 -19.953 -9.069 1.00 0.00 O ATOM 371 CB GLN A 26 -12.999 -18.524 -9.478 1.00 0.00 C ATOM 372 CG GLN A 26 -13.098 -19.422 -8.245 1.00 0.00 C ATOM 373 CD GLN A 26 -14.408 -19.160 -7.511 1.00 0.00 C ATOM 374 OE1 GLN A 26 -15.481 -19.490 -8.016 1.00 0.00 O ATOM 375 NE2 GLN A 26 -14.385 -18.581 -6.341 1.00 0.00 N ATOM 0 H GLN A 26 -12.743 -20.689 -10.622 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.564 -18.132 -11.043 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -12.967 -17.477 -9.177 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -13.883 -18.649 -10.103 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -13.042 -20.469 -8.542 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.255 -19.234 -7.580 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -13.495 -18.308 -5.924 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.257 -18.401 -5.844 1.00 0.00 H new ATOM 384 N PHE A 27 -10.184 -17.726 -8.827 1.00 0.00 N ATOM 385 CA PHE A 27 -9.055 -17.599 -7.909 1.00 0.00 C ATOM 386 C PHE A 27 -9.544 -17.321 -6.493 1.00 0.00 C ATOM 387 O PHE A 27 -10.231 -16.332 -6.246 1.00 0.00 O ATOM 388 CB PHE A 27 -8.140 -16.459 -8.366 1.00 0.00 C ATOM 389 CG PHE A 27 -7.092 -16.192 -7.314 1.00 0.00 C ATOM 390 CD1 PHE A 27 -5.967 -17.017 -7.216 1.00 0.00 C ATOM 391 CD2 PHE A 27 -7.246 -15.114 -6.432 1.00 0.00 C ATOM 392 CE1 PHE A 27 -4.995 -16.766 -6.240 1.00 0.00 C ATOM 393 CE2 PHE A 27 -6.276 -14.863 -5.455 1.00 0.00 C ATOM 394 CZ PHE A 27 -5.150 -15.688 -5.359 1.00 0.00 C ATOM 0 H PHE A 27 -10.659 -16.848 -9.037 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.500 -18.537 -7.912 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.662 -16.720 -9.310 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -8.727 -15.558 -8.544 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.848 -17.849 -7.894 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.114 -14.476 -6.506 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -4.126 -17.403 -6.166 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -6.397 -14.033 -4.775 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.401 -15.494 -4.606 1.00 0.00 H new ATOM 404 N ASP A 28 -9.174 -18.195 -5.561 1.00 0.00 N ATOM 405 CA ASP A 28 -9.575 -18.020 -4.171 1.00 0.00 C ATOM 406 C ASP A 28 -8.547 -17.159 -3.447 1.00 0.00 C ATOM 407 O ASP A 28 -7.489 -17.643 -3.044 1.00 0.00 O ATOM 408 CB ASP A 28 -9.688 -19.379 -3.481 1.00 0.00 C ATOM 409 CG ASP A 28 -10.152 -19.195 -2.041 1.00 0.00 C ATOM 410 OD1 ASP A 28 -10.401 -20.195 -1.386 1.00 0.00 O ATOM 411 OD2 ASP A 28 -10.255 -18.058 -1.614 1.00 0.00 O ATOM 0 H ASP A 28 -8.604 -19.022 -5.741 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.547 -17.527 -4.141 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.392 -20.013 -4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -8.724 -19.887 -3.499 1.00 0.00 H new ATOM 416 N ASP A 29 -8.855 -15.874 -3.306 1.00 0.00 N ATOM 417 CA ASP A 29 -7.942 -14.948 -2.653 1.00 0.00 C ATOM 418 C ASP A 29 -7.931 -15.132 -1.138 1.00 0.00 C ATOM 419 O ASP A 29 -7.030 -14.638 -0.459 1.00 0.00 O ATOM 420 CB ASP A 29 -8.346 -13.511 -2.983 1.00 0.00 C ATOM 421 CG ASP A 29 -9.751 -13.230 -2.460 1.00 0.00 C ATOM 422 OD1 ASP A 29 -10.320 -14.117 -1.845 1.00 0.00 O ATOM 423 OD2 ASP A 29 -10.236 -12.134 -2.681 1.00 0.00 O ATOM 0 H ASP A 29 -9.725 -15.454 -3.633 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.939 -15.156 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.637 -12.814 -2.537 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -8.312 -13.354 -4.061 1.00 0.00 H new ATOM 428 N SER A 30 -8.926 -15.831 -0.603 1.00 0.00 N ATOM 429 CA SER A 30 -8.980 -16.039 0.839 1.00 0.00 C ATOM 430 C SER A 30 -7.797 -16.880 1.304 1.00 0.00 C ATOM 431 O SER A 30 -7.176 -16.580 2.323 1.00 0.00 O ATOM 432 CB SER A 30 -10.286 -16.739 1.222 1.00 0.00 C ATOM 433 OG SER A 30 -10.328 -18.022 0.614 1.00 0.00 O ATOM 0 H SER A 30 -9.689 -16.254 -1.131 1.00 0.00 H new ATOM 0 HA SER A 30 -8.935 -15.065 1.326 1.00 0.00 H new ATOM 0 HB2 SER A 30 -10.356 -16.835 2.305 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.140 -16.143 0.899 1.00 0.00 H new ATOM 0 HG SER A 30 -10.815 -17.966 -0.235 1.00 0.00 H new ATOM 439 N ALA A 31 -7.483 -17.928 0.548 1.00 0.00 N ATOM 440 CA ALA A 31 -6.363 -18.795 0.891 1.00 0.00 C ATOM 441 C ALA A 31 -5.039 -18.055 0.730 1.00 0.00 C ATOM 442 O ALA A 31 -4.126 -18.208 1.541 1.00 0.00 O ATOM 443 CB ALA A 31 -6.369 -20.035 -0.006 1.00 0.00 C ATOM 0 H ALA A 31 -7.984 -18.195 -0.299 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.470 -19.098 1.932 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.529 -20.678 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.302 -20.581 0.134 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.281 -19.730 -1.049 1.00 0.00 H new ATOM 449 N TYR A 32 -4.945 -17.265 -0.334 1.00 0.00 N ATOM 450 CA TYR A 32 -3.728 -16.512 -0.618 1.00 0.00 C ATOM 451 C TYR A 32 -3.405 -15.553 0.523 1.00 0.00 C ATOM 452 O TYR A 32 -2.274 -15.510 1.007 1.00 0.00 O ATOM 453 CB TYR A 32 -3.908 -15.716 -1.912 1.00 0.00 C ATOM 454 CG TYR A 32 -2.633 -14.973 -2.231 1.00 0.00 C ATOM 455 CD1 TYR A 32 -1.651 -15.579 -3.022 1.00 0.00 C ATOM 456 CD2 TYR A 32 -2.434 -13.680 -1.736 1.00 0.00 C ATOM 457 CE1 TYR A 32 -0.469 -14.891 -3.321 1.00 0.00 C ATOM 458 CE2 TYR A 32 -1.252 -12.991 -2.033 1.00 0.00 C ATOM 459 CZ TYR A 32 -0.270 -13.596 -2.828 1.00 0.00 C ATOM 460 OH TYR A 32 0.893 -12.917 -3.123 1.00 0.00 O ATOM 0 H TYR A 32 -5.694 -17.129 -1.013 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.904 -17.217 -0.726 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.164 -16.388 -2.731 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.734 -15.013 -1.806 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.805 -16.578 -3.402 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.192 -13.213 -1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.289 -15.359 -3.932 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -1.097 -11.993 -1.649 1.00 0.00 H new ATOM 0 HH TYR A 32 1.412 -12.785 -2.302 1.00 0.00 H new ATOM 470 N GLU A 33 -4.405 -14.790 0.952 1.00 0.00 N ATOM 471 CA GLU A 33 -4.207 -13.844 2.042 1.00 0.00 C ATOM 472 C GLU A 33 -4.083 -14.584 3.368 1.00 0.00 C ATOM 473 O GLU A 33 -3.449 -14.099 4.303 1.00 0.00 O ATOM 474 CB GLU A 33 -5.375 -12.856 2.109 1.00 0.00 C ATOM 475 CG GLU A 33 -6.640 -13.582 2.569 1.00 0.00 C ATOM 476 CD GLU A 33 -6.609 -13.779 4.080 1.00 0.00 C ATOM 477 OE1 GLU A 33 -5.879 -13.052 4.737 1.00 0.00 O ATOM 478 OE2 GLU A 33 -7.313 -14.651 4.560 1.00 0.00 O ATOM 0 H GLU A 33 -5.349 -14.808 0.567 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.286 -13.292 1.855 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.139 -12.045 2.798 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.539 -12.405 1.130 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.522 -13.007 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.717 -14.548 2.070 1.00 0.00 H new ATOM 485 N GLU A 34 -4.713 -15.750 3.450 1.00 0.00 N ATOM 486 CA GLU A 34 -4.677 -16.532 4.679 1.00 0.00 C ATOM 487 C GLU A 34 -3.246 -16.930 5.040 1.00 0.00 C ATOM 488 O GLU A 34 -2.808 -16.729 6.173 1.00 0.00 O ATOM 489 CB GLU A 34 -5.527 -17.794 4.517 1.00 0.00 C ATOM 490 CG GLU A 34 -5.496 -18.602 5.817 1.00 0.00 C ATOM 491 CD GLU A 34 -6.365 -19.846 5.676 1.00 0.00 C ATOM 492 OE1 GLU A 34 -6.937 -20.028 4.613 1.00 0.00 O ATOM 493 OE2 GLU A 34 -6.445 -20.600 6.631 1.00 0.00 O ATOM 0 H GLU A 34 -5.248 -16.170 2.690 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.078 -15.914 5.482 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.553 -17.524 4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.147 -18.397 3.692 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.471 -18.889 6.053 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.854 -17.990 6.645 1.00 0.00 H new ATOM 500 N ALA A 35 -2.517 -17.492 4.076 1.00 0.00 N ATOM 501 CA ALA A 35 -1.137 -17.903 4.325 1.00 0.00 C ATOM 502 C ALA A 35 -0.218 -16.693 4.460 1.00 0.00 C ATOM 503 O ALA A 35 0.611 -16.624 5.367 1.00 0.00 O ATOM 504 CB ALA A 35 -0.647 -18.789 3.179 1.00 0.00 C ATOM 0 H ALA A 35 -2.853 -17.671 3.130 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.113 -18.461 5.261 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.382 -19.093 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.279 -19.674 3.107 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.694 -18.232 2.243 1.00 0.00 H new ATOM 510 N TYR A 36 -0.366 -15.750 3.537 1.00 0.00 N ATOM 511 CA TYR A 36 0.462 -14.547 3.538 1.00 0.00 C ATOM 512 C TYR A 36 0.006 -13.566 4.612 1.00 0.00 C ATOM 513 O TYR A 36 0.790 -12.744 5.086 1.00 0.00 O ATOM 514 CB TYR A 36 0.415 -13.877 2.164 1.00 0.00 C ATOM 515 CG TYR A 36 1.155 -14.738 1.170 1.00 0.00 C ATOM 516 CD1 TYR A 36 0.591 -15.007 -0.084 1.00 0.00 C ATOM 517 CD2 TYR A 36 2.403 -15.276 1.506 1.00 0.00 C ATOM 518 CE1 TYR A 36 1.278 -15.813 -1.002 1.00 0.00 C ATOM 519 CE2 TYR A 36 3.089 -16.081 0.589 1.00 0.00 C ATOM 520 CZ TYR A 36 2.526 -16.349 -0.665 1.00 0.00 C ATOM 521 OH TYR A 36 3.203 -17.144 -1.568 1.00 0.00 O ATOM 0 H TYR A 36 -1.049 -15.793 2.780 1.00 0.00 H new ATOM 0 HA TYR A 36 1.488 -14.842 3.760 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.619 -13.741 1.847 1.00 0.00 H new ATOM 0 HB3 TYR A 36 0.867 -12.886 2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -0.373 -14.594 -0.343 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.837 -15.070 2.473 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.844 -16.020 -1.969 1.00 0.00 H new ATOM 0 HE2 TYR A 36 4.052 -16.495 0.848 1.00 0.00 H new ATOM 0 HH TYR A 36 4.054 -17.433 -1.176 1.00 0.00 H new ATOM 531 N GLY A 37 -1.263 -13.656 4.987 1.00 0.00 N ATOM 532 CA GLY A 37 -1.810 -12.767 6.004 1.00 0.00 C ATOM 533 C GLY A 37 -2.037 -11.370 5.439 1.00 0.00 C ATOM 534 O GLY A 37 -2.117 -10.396 6.187 1.00 0.00 O ATOM 0 H GLY A 37 -1.928 -14.329 4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.751 -13.170 6.377 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.127 -12.714 6.852 1.00 0.00 H new ATOM 538 N VAL A 38 -2.145 -11.274 4.115 1.00 0.00 N ATOM 539 CA VAL A 38 -2.365 -9.981 3.479 1.00 0.00 C ATOM 540 C VAL A 38 -3.520 -10.043 2.482 1.00 0.00 C ATOM 541 O VAL A 38 -3.686 -11.025 1.759 1.00 0.00 O ATOM 542 CB VAL A 38 -1.093 -9.536 2.755 1.00 0.00 C ATOM 543 CG1 VAL A 38 0.040 -9.369 3.769 1.00 0.00 C ATOM 544 CG2 VAL A 38 -0.698 -10.592 1.721 1.00 0.00 C ATOM 0 H VAL A 38 -2.085 -12.064 3.472 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.620 -9.262 4.258 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.275 -8.586 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.946 -9.052 3.253 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.240 -8.617 4.507 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.222 -10.319 4.271 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.208 -10.275 1.205 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.516 -11.542 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.504 -10.712 0.997 1.00 0.00 H new ATOM 554 N SER A 39 -4.319 -8.980 2.463 1.00 0.00 N ATOM 555 CA SER A 39 -5.470 -8.901 1.569 1.00 0.00 C ATOM 556 C SER A 39 -5.031 -8.858 0.108 1.00 0.00 C ATOM 557 O SER A 39 -3.993 -8.283 -0.224 1.00 0.00 O ATOM 558 CB SER A 39 -6.293 -7.655 1.892 1.00 0.00 C ATOM 559 OG SER A 39 -6.801 -7.759 3.215 1.00 0.00 O ATOM 0 H SER A 39 -4.190 -8.161 3.057 1.00 0.00 H new ATOM 0 HA SER A 39 -6.078 -9.793 1.720 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.675 -6.762 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.114 -7.553 1.182 1.00 0.00 H new ATOM 0 HG SER A 39 -7.328 -6.961 3.427 1.00 0.00 H new ATOM 565 N VAL A 40 -5.829 -9.474 -0.757 1.00 0.00 N ATOM 566 CA VAL A 40 -5.525 -9.509 -2.184 1.00 0.00 C ATOM 567 C VAL A 40 -6.476 -8.603 -2.961 1.00 0.00 C ATOM 568 O VAL A 40 -7.681 -8.843 -2.998 1.00 0.00 O ATOM 569 CB VAL A 40 -5.660 -10.938 -2.707 1.00 0.00 C ATOM 570 CG1 VAL A 40 -5.319 -10.973 -4.199 1.00 0.00 C ATOM 571 CG2 VAL A 40 -4.707 -11.856 -1.943 1.00 0.00 C ATOM 0 H VAL A 40 -6.690 -9.955 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 40 -4.503 -9.156 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.685 -11.280 -2.562 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -5.416 -11.993 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.003 -10.322 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -4.295 -10.629 -4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -4.805 -12.875 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.682 -11.514 -2.084 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.954 -11.834 -0.882 1.00 0.00 H new ATOM 581 N PRO A 41 -5.957 -7.579 -3.583 1.00 0.00 N ATOM 582 CA PRO A 41 -6.785 -6.623 -4.383 1.00 0.00 C ATOM 583 C PRO A 41 -7.583 -7.343 -5.468 1.00 0.00 C ATOM 584 O PRO A 41 -7.075 -8.256 -6.121 1.00 0.00 O ATOM 585 CB PRO A 41 -5.744 -5.685 -5.007 1.00 0.00 C ATOM 586 CG PRO A 41 -4.558 -5.773 -4.105 1.00 0.00 C ATOM 587 CD PRO A 41 -4.535 -7.209 -3.592 1.00 0.00 C ATOM 0 HA PRO A 41 -7.525 -6.103 -3.775 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -5.492 -5.993 -6.022 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.119 -4.663 -5.068 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -3.640 -5.534 -4.641 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.639 -5.064 -3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.952 -7.861 -4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.094 -7.275 -2.597 1.00 0.00 H new ATOM 595 N SER A 42 -8.842 -6.948 -5.637 1.00 0.00 N ATOM 596 CA SER A 42 -9.706 -7.585 -6.624 1.00 0.00 C ATOM 597 C SER A 42 -9.137 -7.452 -8.033 1.00 0.00 C ATOM 598 O SER A 42 -9.316 -8.340 -8.867 1.00 0.00 O ATOM 599 CB SER A 42 -11.098 -6.959 -6.578 1.00 0.00 C ATOM 600 OG SER A 42 -11.007 -5.586 -6.937 1.00 0.00 O ATOM 0 H SER A 42 -9.283 -6.196 -5.108 1.00 0.00 H new ATOM 0 HA SER A 42 -9.767 -8.645 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.767 -7.482 -7.261 1.00 0.00 H new ATOM 0 HB3 SER A 42 -11.521 -7.058 -5.578 1.00 0.00 H new ATOM 0 HG SER A 42 -11.899 -5.181 -6.910 1.00 0.00 H new ATOM 606 N ALA A 43 -8.454 -6.344 -8.305 1.00 0.00 N ATOM 607 CA ALA A 43 -7.879 -6.134 -9.630 1.00 0.00 C ATOM 608 C ALA A 43 -6.876 -7.236 -9.952 1.00 0.00 C ATOM 609 O ALA A 43 -6.846 -7.755 -11.068 1.00 0.00 O ATOM 610 CB ALA A 43 -7.185 -4.773 -9.688 1.00 0.00 C ATOM 0 H ALA A 43 -8.287 -5.590 -7.639 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.682 -6.160 -10.367 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.759 -4.624 -10.680 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.910 -3.986 -9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.391 -4.738 -8.943 1.00 0.00 H new ATOM 616 N VAL A 44 -6.066 -7.600 -8.963 1.00 0.00 N ATOM 617 CA VAL A 44 -5.078 -8.656 -9.145 1.00 0.00 C ATOM 618 C VAL A 44 -5.769 -9.997 -9.373 1.00 0.00 C ATOM 619 O VAL A 44 -5.356 -10.790 -10.220 1.00 0.00 O ATOM 620 CB VAL A 44 -4.179 -8.746 -7.913 1.00 0.00 C ATOM 621 CG1 VAL A 44 -3.287 -9.985 -8.018 1.00 0.00 C ATOM 622 CG2 VAL A 44 -3.302 -7.494 -7.829 1.00 0.00 C ATOM 0 H VAL A 44 -6.074 -7.182 -8.033 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.472 -8.418 -10.019 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.798 -8.819 -7.019 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.646 -10.048 -7.138 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.910 -10.878 -8.078 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.669 -9.913 -8.913 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.660 -7.558 -6.950 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.685 -7.421 -8.724 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.936 -6.610 -7.752 1.00 0.00 H new ATOM 632 N VAL A 45 -6.820 -10.242 -8.595 1.00 0.00 N ATOM 633 CA VAL A 45 -7.574 -11.488 -8.685 1.00 0.00 C ATOM 634 C VAL A 45 -8.205 -11.664 -10.063 1.00 0.00 C ATOM 635 O VAL A 45 -8.236 -12.774 -10.595 1.00 0.00 O ATOM 636 CB VAL A 45 -8.672 -11.505 -7.621 1.00 0.00 C ATOM 637 CG1 VAL A 45 -9.599 -12.698 -7.863 1.00 0.00 C ATOM 638 CG2 VAL A 45 -8.036 -11.628 -6.235 1.00 0.00 C ATOM 0 H VAL A 45 -7.170 -9.591 -7.892 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.878 -12.311 -8.520 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.247 -10.581 -7.678 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.382 -12.710 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -10.052 -12.612 -8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.024 -13.623 -7.806 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.818 -11.640 -5.476 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.461 -12.553 -6.179 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.375 -10.779 -6.061 1.00 0.00 H new ATOM 648 N GLU A 46 -8.723 -10.581 -10.635 1.00 0.00 N ATOM 649 CA GLU A 46 -9.360 -10.673 -11.944 1.00 0.00 C ATOM 650 C GLU A 46 -8.366 -11.180 -12.982 1.00 0.00 C ATOM 651 O GLU A 46 -8.697 -12.042 -13.795 1.00 0.00 O ATOM 652 CB GLU A 46 -9.889 -9.301 -12.367 1.00 0.00 C ATOM 653 CG GLU A 46 -11.061 -8.906 -11.464 1.00 0.00 C ATOM 654 CD GLU A 46 -12.242 -9.841 -11.703 1.00 0.00 C ATOM 655 OE1 GLU A 46 -12.311 -10.413 -12.778 1.00 0.00 O ATOM 656 OE2 GLU A 46 -13.060 -9.971 -10.806 1.00 0.00 O ATOM 0 H GLU A 46 -8.715 -9.648 -10.223 1.00 0.00 H new ATOM 0 HA GLU A 46 -10.191 -11.375 -11.877 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -9.096 -8.556 -12.298 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.211 -9.329 -13.408 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.756 -8.951 -10.418 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -11.355 -7.876 -11.666 1.00 0.00 H new ATOM 663 N GLU A 47 -7.150 -10.643 -12.958 1.00 0.00 N ATOM 664 CA GLU A 47 -6.134 -11.064 -13.915 1.00 0.00 C ATOM 665 C GLU A 47 -5.849 -12.551 -13.762 1.00 0.00 C ATOM 666 O GLU A 47 -5.697 -13.266 -14.753 1.00 0.00 O ATOM 667 CB GLU A 47 -4.840 -10.277 -13.692 1.00 0.00 C ATOM 668 CG GLU A 47 -5.038 -8.828 -14.138 1.00 0.00 C ATOM 669 CD GLU A 47 -3.835 -7.986 -13.726 1.00 0.00 C ATOM 670 OE1 GLU A 47 -3.713 -6.879 -14.225 1.00 0.00 O ATOM 671 OE2 GLU A 47 -3.053 -8.461 -12.920 1.00 0.00 O ATOM 0 H GLU A 47 -6.848 -9.927 -12.298 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.508 -10.870 -14.920 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.560 -10.309 -12.639 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -4.024 -10.733 -14.253 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.168 -8.786 -15.219 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.946 -8.422 -13.692 1.00 0.00 H new ATOM 678 N MET A 48 -5.790 -13.018 -12.520 1.00 0.00 N ATOM 679 CA MET A 48 -5.537 -14.428 -12.268 1.00 0.00 C ATOM 680 C MET A 48 -6.680 -15.276 -12.816 1.00 0.00 C ATOM 681 O MET A 48 -6.454 -16.327 -13.416 1.00 0.00 O ATOM 682 CB MET A 48 -5.402 -14.672 -10.765 1.00 0.00 C ATOM 683 CG MET A 48 -4.123 -14.011 -10.247 1.00 0.00 C ATOM 684 SD MET A 48 -2.689 -14.728 -11.086 1.00 0.00 S ATOM 685 CE MET A 48 -2.439 -13.398 -12.287 1.00 0.00 C ATOM 0 H MET A 48 -5.912 -12.448 -11.683 1.00 0.00 H new ATOM 0 HA MET A 48 -4.610 -14.710 -12.768 1.00 0.00 H new ATOM 0 HB2 MET A 48 -6.269 -14.268 -10.242 1.00 0.00 H new ATOM 0 HB3 MET A 48 -5.377 -15.743 -10.562 1.00 0.00 H new ATOM 0 HG2 MET A 48 -4.160 -12.936 -10.423 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.037 -14.155 -9.170 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.668 -13.764 -13.288 1.00 0.00 H new ATOM 0 HE2 MET A 48 -3.097 -12.563 -12.047 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.402 -13.065 -12.251 1.00 0.00 H new ATOM 695 N ASN A 49 -7.909 -14.808 -12.605 1.00 0.00 N ATOM 696 CA ASN A 49 -9.080 -15.532 -13.087 1.00 0.00 C ATOM 697 C ASN A 49 -9.130 -15.535 -14.611 1.00 0.00 C ATOM 698 O ASN A 49 -9.414 -16.561 -15.231 1.00 0.00 O ATOM 699 CB ASN A 49 -10.353 -14.887 -12.535 1.00 0.00 C ATOM 700 CG ASN A 49 -10.476 -15.171 -11.042 1.00 0.00 C ATOM 701 OD1 ASN A 49 -9.863 -16.109 -10.536 1.00 0.00 O ATOM 702 ND2 ASN A 49 -11.237 -14.411 -10.303 1.00 0.00 N ATOM 0 H ASN A 49 -8.117 -13.941 -12.109 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.010 -16.563 -12.740 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.330 -13.811 -12.708 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.225 -15.276 -13.061 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.324 -14.595 -9.303 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -11.745 -13.633 -10.725 1.00 0.00 H new ATOM 709 N ALA A 50 -8.847 -14.382 -15.214 1.00 0.00 N ATOM 710 CA ALA A 50 -8.859 -14.274 -16.669 1.00 0.00 C ATOM 711 C ALA A 50 -7.760 -15.140 -17.271 1.00 0.00 C ATOM 712 O ALA A 50 -7.975 -15.847 -18.257 1.00 0.00 O ATOM 713 CB ALA A 50 -8.652 -12.818 -17.087 1.00 0.00 C ATOM 0 H ALA A 50 -8.609 -13.520 -14.724 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.825 -14.620 -17.036 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.662 -12.747 -18.175 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.453 -12.204 -16.675 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.693 -12.464 -16.709 1.00 0.00 H new ATOM 719 N LYS A 51 -6.581 -15.076 -16.662 1.00 0.00 N ATOM 720 CA LYS A 51 -5.442 -15.849 -17.126 1.00 0.00 C ATOM 721 C LYS A 51 -5.723 -17.340 -16.983 1.00 0.00 C ATOM 722 O LYS A 51 -5.400 -18.131 -17.866 1.00 0.00 O ATOM 723 CB LYS A 51 -4.209 -15.446 -16.318 1.00 0.00 C ATOM 724 CG LYS A 51 -3.799 -14.029 -16.732 1.00 0.00 C ATOM 725 CD LYS A 51 -2.954 -13.389 -15.631 1.00 0.00 C ATOM 726 CE LYS A 51 -1.648 -14.160 -15.469 1.00 0.00 C ATOM 727 NZ LYS A 51 -0.831 -14.021 -16.707 1.00 0.00 N ATOM 0 H LYS A 51 -6.392 -14.495 -15.845 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.261 -15.645 -18.181 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.428 -15.481 -15.251 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -3.392 -16.145 -16.499 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.234 -14.062 -17.663 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.686 -13.424 -16.919 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.744 -12.348 -15.879 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.505 -13.388 -14.691 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.094 -13.781 -14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.856 -15.212 -15.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.163 -14.239 -16.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.182 -14.680 -17.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.903 -13.046 -17.063 1.00 0.00 H new ATOM 741 N ALA A 52 -6.350 -17.716 -15.875 1.00 0.00 N ATOM 742 CA ALA A 52 -6.696 -19.110 -15.640 1.00 0.00 C ATOM 743 C ALA A 52 -7.677 -19.592 -16.704 1.00 0.00 C ATOM 744 O ALA A 52 -7.604 -20.729 -17.168 1.00 0.00 O ATOM 745 CB ALA A 52 -7.317 -19.272 -14.253 1.00 0.00 C ATOM 0 H ALA A 52 -6.628 -17.078 -15.129 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.787 -19.710 -15.694 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -7.572 -20.319 -14.088 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -6.604 -18.949 -13.495 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -8.219 -18.664 -14.185 1.00 0.00 H new ATOM 751 N ALA A 53 -8.587 -18.703 -17.090 1.00 0.00 N ATOM 752 CA ALA A 53 -9.583 -19.016 -18.108 1.00 0.00 C ATOM 753 C ALA A 53 -8.922 -19.279 -19.460 1.00 0.00 C ATOM 754 O ALA A 53 -9.342 -20.164 -20.204 1.00 0.00 O ATOM 755 CB ALA A 53 -10.574 -17.859 -18.243 1.00 0.00 C ATOM 0 H ALA A 53 -8.655 -17.758 -16.712 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.111 -19.918 -17.798 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.314 -18.101 -19.005 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.075 -17.696 -17.289 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -10.039 -16.954 -18.531 1.00 0.00 H new ATOM 761 N GLN A 54 -7.883 -18.505 -19.767 1.00 0.00 N ATOM 762 CA GLN A 54 -7.171 -18.673 -21.032 1.00 0.00 C ATOM 763 C GLN A 54 -6.218 -19.863 -20.962 1.00 0.00 C ATOM 764 O GLN A 54 -5.839 -20.425 -21.989 1.00 0.00 O ATOM 765 CB GLN A 54 -6.396 -17.400 -21.390 1.00 0.00 C ATOM 766 CG GLN A 54 -5.231 -17.200 -20.423 1.00 0.00 C ATOM 767 CD GLN A 54 -4.306 -16.106 -20.952 1.00 0.00 C ATOM 768 OE1 GLN A 54 -4.298 -14.934 -20.377 1.00 0.00 O flip ATOM 769 NE2 GLN A 54 -3.585 -16.321 -21.925 1.00 0.00 N flip ATOM 0 H GLN A 54 -7.519 -17.765 -19.167 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.909 -18.863 -21.811 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -6.022 -17.469 -22.412 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.062 -16.538 -21.352 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.607 -16.927 -19.437 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -4.678 -18.132 -20.306 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -3.593 -17.237 -22.373 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -2.979 -15.583 -22.284 1.00 0.00 H new ATOM 778 N LEU A 55 -5.836 -20.244 -19.746 1.00 0.00 N ATOM 779 CA LEU A 55 -4.926 -21.371 -19.559 1.00 0.00 C ATOM 780 C LEU A 55 -5.622 -22.694 -19.859 1.00 0.00 C ATOM 781 O LEU A 55 -6.796 -22.881 -19.538 1.00 0.00 O ATOM 782 CB LEU A 55 -4.394 -21.391 -18.123 1.00 0.00 C ATOM 783 CG LEU A 55 -3.406 -20.241 -17.923 1.00 0.00 C ATOM 784 CD1 LEU A 55 -3.087 -20.096 -16.432 1.00 0.00 C ATOM 785 CD2 LEU A 55 -2.115 -20.544 -18.686 1.00 0.00 C ATOM 0 H LEU A 55 -6.139 -19.794 -18.882 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.096 -21.247 -20.254 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.220 -21.300 -17.418 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.904 -22.343 -17.920 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.845 -19.315 -18.295 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.383 -19.276 -16.289 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.005 -19.886 -15.882 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.646 -21.022 -16.062 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.409 -19.726 -18.545 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.678 -21.469 -18.310 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.337 -20.653 -19.748 1.00 0.00 H new ATOM 797 N LYS A 56 -4.880 -23.610 -20.469 1.00 0.00 N ATOM 798 CA LYS A 56 -5.411 -24.924 -20.812 1.00 0.00 C ATOM 799 C LYS A 56 -5.104 -25.923 -19.700 1.00 0.00 C ATOM 800 O LYS A 56 -4.358 -25.617 -18.770 1.00 0.00 O ATOM 801 CB LYS A 56 -4.793 -25.412 -22.123 1.00 0.00 C ATOM 802 CG LYS A 56 -5.181 -24.461 -23.257 1.00 0.00 C ATOM 803 CD LYS A 56 -4.461 -24.876 -24.541 1.00 0.00 C ATOM 804 CE LYS A 56 -5.006 -26.223 -25.019 1.00 0.00 C ATOM 805 NZ LYS A 56 -4.344 -26.600 -26.300 1.00 0.00 N ATOM 0 H LYS A 56 -3.906 -23.467 -20.737 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.491 -24.843 -20.931 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -3.708 -25.460 -22.030 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -5.139 -26.421 -22.347 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.260 -24.482 -23.410 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.916 -23.437 -22.994 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.605 -24.119 -25.312 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.388 -24.949 -24.362 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.825 -26.989 -24.265 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.085 -26.162 -25.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.714 -27.516 -26.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.538 -25.873 -27.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -3.317 -26.675 -26.151 1.00 0.00 H new ATOM 819 N ASP A 57 -5.675 -27.119 -19.803 1.00 0.00 N ATOM 820 CA ASP A 57 -5.444 -28.154 -18.800 1.00 0.00 C ATOM 821 C ASP A 57 -3.974 -28.562 -18.798 1.00 0.00 C ATOM 822 O ASP A 57 -3.303 -28.495 -19.827 1.00 0.00 O ATOM 823 CB ASP A 57 -6.315 -29.375 -19.094 1.00 0.00 C ATOM 824 CG ASP A 57 -7.774 -29.064 -18.782 1.00 0.00 C ATOM 825 OD1 ASP A 57 -8.625 -29.841 -19.186 1.00 0.00 O ATOM 826 OD2 ASP A 57 -8.021 -28.052 -18.148 1.00 0.00 O ATOM 0 H ASP A 57 -6.296 -27.395 -20.564 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.707 -27.755 -17.820 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -6.212 -29.662 -20.141 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.980 -30.223 -18.497 1.00 0.00 H new ATOM 831 N GLY A 58 -3.477 -28.985 -17.638 1.00 0.00 N ATOM 832 CA GLY A 58 -2.081 -29.397 -17.528 1.00 0.00 C ATOM 833 C GLY A 58 -1.181 -28.205 -17.216 1.00 0.00 C ATOM 834 O GLY A 58 0.044 -28.306 -17.282 1.00 0.00 O ATOM 0 H GLY A 58 -4.012 -29.051 -16.772 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.981 -30.148 -16.744 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.762 -29.864 -18.460 1.00 0.00 H new ATOM 838 N GLU A 59 -1.795 -27.081 -16.866 1.00 0.00 N ATOM 839 CA GLU A 59 -1.039 -25.876 -16.533 1.00 0.00 C ATOM 840 C GLU A 59 -1.521 -25.281 -15.212 1.00 0.00 C ATOM 841 O GLU A 59 -2.697 -25.390 -14.861 1.00 0.00 O ATOM 842 CB GLU A 59 -1.174 -24.837 -17.645 1.00 0.00 C ATOM 843 CG GLU A 59 -0.422 -25.322 -18.888 1.00 0.00 C ATOM 844 CD GLU A 59 -1.284 -26.303 -19.671 1.00 0.00 C ATOM 845 OE1 GLU A 59 -2.400 -26.546 -19.249 1.00 0.00 O ATOM 846 OE2 GLU A 59 -0.813 -26.797 -20.683 1.00 0.00 O ATOM 0 H GLU A 59 -2.808 -26.977 -16.805 1.00 0.00 H new ATOM 0 HA GLU A 59 0.010 -26.155 -16.430 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.226 -24.677 -17.882 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.772 -23.879 -17.314 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.160 -24.472 -19.519 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.512 -25.801 -18.594 1.00 0.00 H new ATOM 853 N TRP A 60 -0.606 -24.639 -14.492 1.00 0.00 N ATOM 854 CA TRP A 60 -0.943 -24.013 -13.219 1.00 0.00 C ATOM 855 C TRP A 60 -0.426 -22.581 -13.185 1.00 0.00 C ATOM 856 O TRP A 60 0.680 -22.299 -13.646 1.00 0.00 O ATOM 857 CB TRP A 60 -0.326 -24.793 -12.053 1.00 0.00 C ATOM 858 CG TRP A 60 -0.998 -26.122 -11.904 1.00 0.00 C ATOM 859 CD1 TRP A 60 -0.522 -27.294 -12.381 1.00 0.00 C ATOM 860 CD2 TRP A 60 -2.252 -26.436 -11.230 1.00 0.00 C ATOM 861 NE1 TRP A 60 -1.404 -28.306 -12.047 1.00 0.00 N ATOM 862 CE2 TRP A 60 -2.485 -27.827 -11.336 1.00 0.00 C ATOM 863 CE3 TRP A 60 -3.199 -25.654 -10.545 1.00 0.00 C ATOM 864 CZ2 TRP A 60 -3.618 -28.422 -10.782 1.00 0.00 C ATOM 865 CZ3 TRP A 60 -4.340 -26.251 -9.986 1.00 0.00 C ATOM 866 CH2 TRP A 60 -4.549 -27.633 -10.103 1.00 0.00 C ATOM 0 H TRP A 60 0.371 -24.539 -14.767 1.00 0.00 H new ATOM 0 HA TRP A 60 -2.028 -24.015 -13.119 1.00 0.00 H new ATOM 0 HB2 TRP A 60 0.741 -24.935 -12.225 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -0.427 -24.221 -11.130 1.00 0.00 H new ATOM 0 HD1 TRP A 60 0.398 -27.420 -12.933 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -1.271 -29.286 -12.296 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -3.048 -24.589 -10.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -3.775 -29.486 -10.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -5.062 -25.642 -9.462 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -5.428 -28.086 -9.669 1.00 0.00 H new ATOM 877 N LEU A 61 -1.224 -21.682 -12.625 1.00 0.00 N ATOM 878 CA LEU A 61 -0.828 -20.284 -12.525 1.00 0.00 C ATOM 879 C LEU A 61 -0.294 -20.012 -11.124 1.00 0.00 C ATOM 880 O LEU A 61 -0.871 -20.467 -10.136 1.00 0.00 O ATOM 881 CB LEU A 61 -2.019 -19.373 -12.816 1.00 0.00 C ATOM 882 CG LEU A 61 -1.566 -17.917 -12.743 1.00 0.00 C ATOM 883 CD1 LEU A 61 -0.481 -17.677 -13.794 1.00 0.00 C ATOM 884 CD2 LEU A 61 -2.756 -16.995 -13.024 1.00 0.00 C ATOM 0 H LEU A 61 -2.143 -21.893 -12.236 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.049 -20.078 -13.259 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.426 -19.591 -13.803 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.816 -19.555 -12.095 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.172 -17.706 -11.749 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.153 -16.639 -13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.366 -18.335 -13.599 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.882 -17.887 -14.786 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.431 -15.956 -12.972 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.150 -17.202 -14.019 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.535 -17.170 -12.282 1.00 0.00 H new ATOM 896 N ASN A 62 0.811 -19.279 -11.031 1.00 0.00 N ATOM 897 CA ASN A 62 1.398 -18.976 -9.732 1.00 0.00 C ATOM 898 C ASN A 62 1.065 -17.550 -9.303 1.00 0.00 C ATOM 899 O ASN A 62 1.312 -16.596 -10.041 1.00 0.00 O ATOM 900 CB ASN A 62 2.916 -19.151 -9.792 1.00 0.00 C ATOM 901 CG ASN A 62 3.536 -18.807 -8.441 1.00 0.00 C ATOM 902 OD1 ASN A 62 4.011 -17.690 -8.243 1.00 0.00 O ATOM 903 ND2 ASN A 62 3.554 -19.705 -7.495 1.00 0.00 N ATOM 0 H ASN A 62 1.312 -18.888 -11.829 1.00 0.00 H new ATOM 0 HA ASN A 62 0.979 -19.666 -9.000 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.161 -20.178 -10.063 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.334 -18.509 -10.567 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.963 -19.482 -6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.159 -20.630 -7.663 1.00 0.00 H new ATOM 910 N VAL A 63 0.509 -17.415 -8.104 1.00 0.00 N ATOM 911 CA VAL A 63 0.153 -16.102 -7.580 1.00 0.00 C ATOM 912 C VAL A 63 0.954 -15.805 -6.318 1.00 0.00 C ATOM 913 O VAL A 63 0.971 -16.603 -5.383 1.00 0.00 O ATOM 914 CB VAL A 63 -1.342 -16.055 -7.260 1.00 0.00 C ATOM 915 CG1 VAL A 63 -1.698 -14.682 -6.686 1.00 0.00 C ATOM 916 CG2 VAL A 63 -2.145 -16.292 -8.541 1.00 0.00 C ATOM 0 H VAL A 63 0.296 -18.193 -7.480 1.00 0.00 H new ATOM 0 HA VAL A 63 0.384 -15.350 -8.335 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.581 -16.829 -6.530 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -2.763 -14.648 -6.458 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.126 -14.509 -5.774 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.459 -13.909 -7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.211 -16.259 -8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.905 -15.518 -9.269 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -1.892 -17.269 -8.953 1.00 0.00 H new ATOM 926 N SER A 64 1.624 -14.657 -6.300 1.00 0.00 N ATOM 927 CA SER A 64 2.433 -14.268 -5.151 1.00 0.00 C ATOM 928 C SER A 64 2.579 -12.750 -5.105 1.00 0.00 C ATOM 929 O SER A 64 2.165 -12.052 -6.030 1.00 0.00 O ATOM 930 CB SER A 64 3.816 -14.916 -5.240 1.00 0.00 C ATOM 931 OG SER A 64 4.523 -14.365 -6.344 1.00 0.00 O ATOM 0 H SER A 64 1.623 -13.982 -7.065 1.00 0.00 H new ATOM 0 HA SER A 64 1.937 -14.607 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.370 -14.746 -4.317 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.718 -15.995 -5.358 1.00 0.00 H new ATOM 0 HG SER A 64 5.410 -14.777 -6.403 1.00 0.00 H new ATOM 937 N HIS A 65 3.167 -12.241 -4.028 1.00 0.00 N ATOM 938 CA HIS A 65 3.352 -10.801 -3.889 1.00 0.00 C ATOM 939 C HIS A 65 4.717 -10.497 -3.283 1.00 0.00 C ATOM 940 O HIS A 65 5.337 -11.365 -2.669 1.00 0.00 O ATOM 941 CB HIS A 65 2.259 -10.216 -2.993 1.00 0.00 C ATOM 942 CG HIS A 65 2.479 -10.668 -1.576 1.00 0.00 C ATOM 943 ND1 HIS A 65 2.121 -11.934 -1.137 1.00 0.00 N ATOM 944 CD2 HIS A 65 3.020 -10.033 -0.485 1.00 0.00 C ATOM 945 CE1 HIS A 65 2.447 -12.019 0.164 1.00 0.00 C ATOM 946 NE2 HIS A 65 2.998 -10.888 0.613 1.00 0.00 N ATOM 0 H HIS A 65 3.520 -12.795 -3.248 1.00 0.00 H new ATOM 0 HA HIS A 65 3.292 -10.349 -4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 65 2.274 -9.127 -3.046 1.00 0.00 H new ATOM 0 HB3 HIS A 65 1.277 -10.538 -3.341 1.00 0.00 H new ATOM 0 HD2 HIS A 65 3.404 -9.024 -0.480 1.00 0.00 H new ATOM 0 HE1 HIS A 65 2.283 -12.896 0.773 1.00 0.00 H new ATOM 0 HE2 HIS A 65 3.331 -10.693 1.557 1.00 0.00 H new ATOM 954 N GLU A 66 5.188 -9.264 -3.459 1.00 0.00 N ATOM 955 CA GLU A 66 6.486 -8.872 -2.921 1.00 0.00 C ATOM 956 C GLU A 66 6.335 -8.322 -1.507 1.00 0.00 C ATOM 957 O GLU A 66 5.526 -7.429 -1.262 1.00 0.00 O ATOM 958 CB GLU A 66 7.119 -7.806 -3.820 1.00 0.00 C ATOM 959 CG GLU A 66 8.579 -7.597 -3.415 1.00 0.00 C ATOM 960 CD GLU A 66 8.658 -6.659 -2.214 1.00 0.00 C ATOM 961 OE1 GLU A 66 7.754 -5.856 -2.054 1.00 0.00 O ATOM 962 OE2 GLU A 66 9.622 -6.757 -1.474 1.00 0.00 O ATOM 0 H GLU A 66 4.696 -8.527 -3.964 1.00 0.00 H new ATOM 0 HA GLU A 66 7.129 -9.752 -2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 66 7.061 -8.114 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 66 6.569 -6.869 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.038 -8.555 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 66 9.141 -7.179 -4.251 1.00 0.00 H new