USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 473 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 7 THR OG1 : rot 14:sc= -3.07! USER MOD Set 1.2: A 23 LYS NZ :NH3+ -169:sc= -0.465 (180deg=-0.643) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= -0.451 X(o=-0.45,f=-0.42) USER MOD Single : A 6 GLN : amide:sc= -3.6! C(o=-3.6!,f=-3.9!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot -84:sc= -0.388 USER MOD Single : A 15 THR OG1 : rot 127:sc= -1.23 USER MOD Single : A 20 ASN : amide:sc= 0.987 K(o=0.99,f=-0.6) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 MET CE :methyl -119:sc= -1.08 (180deg=-5.17!) USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= -0.0978 (180deg=-0.488) USER MOD Single : A 35 ASN : amide:sc= -2.45 K(o=-2.5,f=-3.6!) USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= -1.2 (180deg=-1.22) USER MOD Single : A 42 CYS SG : rot 29:sc= -0.855 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.355 X(o=-0.35,f=0.0036) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0227 K(o=-0.023,f=-0.8) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N SER A 2 13.392 -8.085 1.056 1.00 0.00 N ATOM 11 CA SER A 2 12.236 -7.477 0.407 1.00 0.00 C ATOM 12 C SER A 2 11.458 -6.605 1.381 1.00 0.00 C ATOM 13 O SER A 2 10.962 -7.088 2.399 1.00 0.00 O ATOM 14 CB SER A 2 11.306 -8.555 -0.161 1.00 0.00 C ATOM 15 OG SER A 2 11.422 -8.639 -1.571 1.00 0.00 O ATOM 0 HA SER A 2 12.607 -6.854 -0.407 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.548 -9.520 0.285 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.275 -8.329 0.109 1.00 0.00 H new ATOM 0 HG SER A 2 10.820 -9.335 -1.908 1.00 0.00 H new ATOM 21 N HIS A 3 11.324 -5.326 1.052 1.00 0.00 N ATOM 22 CA HIS A 3 10.567 -4.416 1.899 1.00 0.00 C ATOM 23 C HIS A 3 9.091 -4.595 1.610 1.00 0.00 C ATOM 24 O HIS A 3 8.663 -4.531 0.457 1.00 0.00 O ATOM 25 CB HIS A 3 10.973 -2.954 1.685 1.00 0.00 C ATOM 26 CG HIS A 3 11.525 -2.657 0.325 1.00 0.00 C ATOM 27 ND1 HIS A 3 10.729 -2.365 -0.763 1.00 0.00 N ATOM 28 CD2 HIS A 3 12.802 -2.604 -0.122 1.00 0.00 C ATOM 29 CE1 HIS A 3 11.492 -2.148 -1.819 1.00 0.00 C ATOM 30 NE2 HIS A 3 12.753 -2.287 -1.457 1.00 0.00 N ATOM 0 H HIS A 3 11.724 -4.901 0.216 1.00 0.00 H new ATOM 0 HA HIS A 3 10.783 -4.656 2.940 1.00 0.00 H new ATOM 0 HB2 HIS A 3 10.104 -2.319 1.857 1.00 0.00 H new ATOM 0 HB3 HIS A 3 11.718 -2.684 2.433 1.00 0.00 H new ATOM 0 HD2 HIS A 3 13.693 -2.779 0.463 1.00 0.00 H new ATOM 0 HE1 HIS A 3 11.143 -1.899 -2.810 1.00 0.00 H new ATOM 0 HE2 HIS A 3 13.561 -2.177 -2.070 1.00 0.00 H new ATOM 39 N VAL A 4 8.317 -4.852 2.650 1.00 0.00 N ATOM 40 CA VAL A 4 6.893 -5.076 2.483 1.00 0.00 C ATOM 41 C VAL A 4 6.084 -4.176 3.399 1.00 0.00 C ATOM 42 O VAL A 4 6.624 -3.561 4.315 1.00 0.00 O ATOM 43 CB VAL A 4 6.522 -6.551 2.749 1.00 0.00 C ATOM 44 CG1 VAL A 4 5.636 -7.089 1.640 1.00 0.00 C ATOM 45 CG2 VAL A 4 7.769 -7.411 2.880 1.00 0.00 C ATOM 0 H VAL A 4 8.648 -4.910 3.613 1.00 0.00 H new ATOM 0 HA VAL A 4 6.651 -4.834 1.448 1.00 0.00 H new ATOM 0 HB VAL A 4 5.973 -6.592 3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.386 -8.130 1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.721 -6.500 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.164 -7.025 0.689 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.480 -8.445 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.347 -7.357 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.376 -7.048 3.710 1.00 0.00 H new ATOM 55 N VAL A 5 4.790 -4.093 3.135 1.00 0.00 N ATOM 56 CA VAL A 5 3.904 -3.254 3.930 1.00 0.00 C ATOM 57 C VAL A 5 2.649 -4.013 4.353 1.00 0.00 C ATOM 58 O VAL A 5 2.253 -4.992 3.723 1.00 0.00 O ATOM 59 CB VAL A 5 3.553 -1.932 3.189 1.00 0.00 C ATOM 60 CG1 VAL A 5 3.862 -2.026 1.704 1.00 0.00 C ATOM 61 CG2 VAL A 5 2.109 -1.507 3.399 1.00 0.00 C ATOM 0 H VAL A 5 4.329 -4.596 2.377 1.00 0.00 H new ATOM 0 HA VAL A 5 4.440 -2.981 4.839 1.00 0.00 H new ATOM 0 HB VAL A 5 4.187 -1.163 3.630 1.00 0.00 H new ATOM 0 HG11 VAL A 5 3.604 -1.085 1.218 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.924 -2.227 1.565 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.279 -2.834 1.262 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.921 -0.579 2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.443 -2.285 3.026 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.926 -1.352 4.462 1.00 0.00 H new ATOM 71 N GLN A 6 2.050 -3.559 5.446 1.00 0.00 N ATOM 72 CA GLN A 6 0.854 -4.197 5.998 1.00 0.00 C ATOM 73 C GLN A 6 -0.203 -3.157 6.357 1.00 0.00 C ATOM 74 O GLN A 6 0.132 -2.007 6.632 1.00 0.00 O ATOM 75 CB GLN A 6 1.231 -5.002 7.245 1.00 0.00 C ATOM 76 CG GLN A 6 0.543 -6.354 7.325 1.00 0.00 C ATOM 77 CD GLN A 6 1.245 -7.313 8.266 1.00 0.00 C ATOM 78 OE1 GLN A 6 2.088 -6.908 9.066 1.00 0.00 O ATOM 79 NE2 GLN A 6 0.898 -8.591 8.177 1.00 0.00 N ATOM 0 H GLN A 6 2.372 -2.747 5.973 1.00 0.00 H new ATOM 0 HA GLN A 6 0.437 -4.863 5.242 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.311 -5.151 7.259 1.00 0.00 H new ATOM 0 HB3 GLN A 6 0.978 -4.422 8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.486 -6.214 7.656 1.00 0.00 H new ATOM 0 HG3 GLN A 6 0.500 -6.795 6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.194 -8.882 7.499 1.00 0.00 H new ATOM 0 HE22 GLN A 6 1.335 -9.282 8.787 1.00 0.00 H new ATOM 88 N THR A 7 -1.480 -3.550 6.359 1.00 0.00 N ATOM 89 CA THR A 7 -2.540 -2.601 6.700 1.00 0.00 C ATOM 90 C THR A 7 -3.204 -2.931 8.026 1.00 0.00 C ATOM 91 O THR A 7 -3.096 -4.045 8.539 1.00 0.00 O ATOM 92 CB THR A 7 -3.603 -2.538 5.614 1.00 0.00 C ATOM 93 OG1 THR A 7 -3.749 -3.795 4.980 1.00 0.00 O ATOM 94 CG2 THR A 7 -3.302 -1.502 4.555 1.00 0.00 C ATOM 0 H THR A 7 -1.798 -4.493 6.135 1.00 0.00 H new ATOM 0 HA THR A 7 -2.055 -1.629 6.788 1.00 0.00 H new ATOM 0 HB THR A 7 -4.526 -2.254 6.119 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.306 -4.485 5.516 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.096 -1.504 3.808 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.241 -0.517 5.017 1.00 0.00 H new ATOM 0 HG23 THR A 7 -2.352 -1.737 4.076 1.00 0.00 H new ATOM 102 N LEU A 8 -3.893 -1.935 8.570 1.00 0.00 N ATOM 103 CA LEU A 8 -4.591 -2.074 9.838 1.00 0.00 C ATOM 104 C LEU A 8 -6.024 -1.548 9.735 1.00 0.00 C ATOM 105 O LEU A 8 -6.935 -2.076 10.373 1.00 0.00 O ATOM 106 CB LEU A 8 -3.840 -1.330 10.951 1.00 0.00 C ATOM 107 CG LEU A 8 -2.855 -0.244 10.498 1.00 0.00 C ATOM 108 CD1 LEU A 8 -1.698 -0.849 9.718 1.00 0.00 C ATOM 109 CD2 LEU A 8 -3.566 0.822 9.681 1.00 0.00 C ATOM 0 H LEU A 8 -3.982 -1.012 8.145 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.628 -3.135 10.084 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.575 -0.871 11.612 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.292 -2.063 11.543 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.444 0.232 11.388 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.015 -0.058 9.409 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.167 -1.561 10.349 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.082 -1.362 8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.848 1.581 9.371 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.015 0.365 8.799 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.345 1.285 10.286 1.00 0.00 H new ATOM 121 N TYR A 9 -6.211 -0.498 8.938 1.00 0.00 N ATOM 122 CA TYR A 9 -7.526 0.110 8.763 1.00 0.00 C ATOM 123 C TYR A 9 -7.925 0.147 7.291 1.00 0.00 C ATOM 124 O TYR A 9 -7.217 0.727 6.467 1.00 0.00 O ATOM 125 CB TYR A 9 -7.524 1.536 9.324 1.00 0.00 C ATOM 126 CG TYR A 9 -7.296 1.602 10.819 1.00 0.00 C ATOM 127 CD1 TYR A 9 -7.894 0.685 11.674 1.00 0.00 C ATOM 128 CD2 TYR A 9 -6.479 2.580 11.372 1.00 0.00 C ATOM 129 CE1 TYR A 9 -7.686 0.742 13.039 1.00 0.00 C ATOM 130 CE2 TYR A 9 -6.267 2.643 12.736 1.00 0.00 C ATOM 131 CZ TYR A 9 -6.872 1.722 13.565 1.00 0.00 C ATOM 132 OH TYR A 9 -6.664 1.782 14.924 1.00 0.00 O ATOM 0 H TYR A 9 -5.467 -0.051 8.403 1.00 0.00 H new ATOM 0 HA TYR A 9 -8.250 -0.498 9.304 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.748 2.113 8.821 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -8.477 2.010 9.090 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -8.532 -0.085 11.265 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.002 3.302 10.726 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.159 0.022 13.690 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.630 3.410 13.151 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.065 2.530 15.131 1.00 0.00 H new ATOM 142 N PRO A 10 -9.076 -0.453 6.933 1.00 0.00 N ATOM 143 CA PRO A 10 -9.558 -0.454 5.549 1.00 0.00 C ATOM 144 C PRO A 10 -10.032 0.934 5.130 1.00 0.00 C ATOM 145 O PRO A 10 -11.202 1.135 4.803 1.00 0.00 O ATOM 146 CB PRO A 10 -10.728 -1.439 5.580 1.00 0.00 C ATOM 147 CG PRO A 10 -11.216 -1.402 6.987 1.00 0.00 C ATOM 148 CD PRO A 10 -10.003 -1.156 7.842 1.00 0.00 C ATOM 0 HA PRO A 10 -8.784 -0.731 4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -11.511 -1.145 4.881 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -10.409 -2.442 5.298 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.955 -0.613 7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.699 -2.341 7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.244 -0.551 8.716 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.575 -2.089 8.209 1.00 0.00 H new ATOM 156 N PHE A 11 -9.110 1.890 5.164 1.00 0.00 N ATOM 157 CA PHE A 11 -9.412 3.271 4.814 1.00 0.00 C ATOM 158 C PHE A 11 -9.253 3.525 3.319 1.00 0.00 C ATOM 159 O PHE A 11 -8.522 2.820 2.623 1.00 0.00 O ATOM 160 CB PHE A 11 -8.539 4.231 5.610 1.00 0.00 C ATOM 161 CG PHE A 11 -9.151 4.656 6.915 1.00 0.00 C ATOM 162 CD1 PHE A 11 -10.308 5.420 6.936 1.00 0.00 C ATOM 163 CD2 PHE A 11 -8.569 4.294 8.119 1.00 0.00 C ATOM 164 CE1 PHE A 11 -10.874 5.813 8.134 1.00 0.00 C ATOM 165 CE2 PHE A 11 -9.130 4.686 9.320 1.00 0.00 C ATOM 166 CZ PHE A 11 -10.284 5.446 9.327 1.00 0.00 C ATOM 0 H PHE A 11 -8.139 1.730 5.433 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.456 3.449 5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -7.577 3.757 5.806 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.341 5.116 5.005 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -10.772 5.711 6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.668 3.699 8.119 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.776 6.406 8.137 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.667 4.398 10.252 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.724 5.753 10.265 1.00 0.00 H new ATOM 176 N SER A 12 -9.981 4.523 2.839 1.00 0.00 N ATOM 177 CA SER A 12 -9.988 4.889 1.427 1.00 0.00 C ATOM 178 C SER A 12 -9.015 6.024 1.103 1.00 0.00 C ATOM 179 O SER A 12 -8.722 6.872 1.946 1.00 0.00 O ATOM 180 CB SER A 12 -11.394 5.328 1.057 1.00 0.00 C ATOM 181 OG SER A 12 -12.235 4.213 0.816 1.00 0.00 O ATOM 0 H SER A 12 -10.586 5.105 3.419 1.00 0.00 H new ATOM 0 HA SER A 12 -9.670 4.018 0.855 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.811 5.934 1.861 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.358 5.958 0.168 1.00 0.00 H new ATOM 0 HG SER A 12 -13.134 4.526 0.582 1.00 0.00 H new ATOM 187 N SER A 13 -8.541 6.035 -0.143 1.00 0.00 N ATOM 188 CA SER A 13 -7.623 7.066 -0.623 1.00 0.00 C ATOM 189 C SER A 13 -8.411 8.244 -1.197 1.00 0.00 C ATOM 190 O SER A 13 -9.633 8.167 -1.327 1.00 0.00 O ATOM 191 CB SER A 13 -6.693 6.489 -1.691 1.00 0.00 C ATOM 192 OG SER A 13 -5.516 5.954 -1.111 1.00 0.00 O ATOM 0 H SER A 13 -8.781 5.334 -0.844 1.00 0.00 H new ATOM 0 HA SER A 13 -7.021 7.417 0.215 1.00 0.00 H new ATOM 0 HB2 SER A 13 -7.214 5.710 -2.248 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.428 7.268 -2.405 1.00 0.00 H new ATOM 0 HG SER A 13 -4.862 6.672 -0.976 1.00 0.00 H new ATOM 198 N VAL A 14 -7.723 9.339 -1.525 1.00 0.00 N ATOM 199 CA VAL A 14 -8.403 10.515 -2.064 1.00 0.00 C ATOM 200 C VAL A 14 -7.721 11.085 -3.312 1.00 0.00 C ATOM 201 O VAL A 14 -8.365 11.253 -4.348 1.00 0.00 O ATOM 202 CB VAL A 14 -8.521 11.620 -0.999 1.00 0.00 C ATOM 203 CG1 VAL A 14 -9.463 11.185 0.112 1.00 0.00 C ATOM 204 CG2 VAL A 14 -7.154 11.977 -0.434 1.00 0.00 C ATOM 0 H VAL A 14 -6.712 9.435 -1.429 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.396 10.175 -2.357 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.932 12.511 -1.474 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.536 11.977 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.450 10.987 -0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.079 10.279 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.264 12.760 0.316 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.708 11.094 0.025 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.510 12.333 -1.238 1.00 0.00 H new ATOM 214 N THR A 15 -6.431 11.405 -3.212 1.00 0.00 N ATOM 215 CA THR A 15 -5.693 11.980 -4.336 1.00 0.00 C ATOM 216 C THR A 15 -5.961 11.223 -5.639 1.00 0.00 C ATOM 217 O THR A 15 -6.387 10.068 -5.623 1.00 0.00 O ATOM 218 CB THR A 15 -4.183 12.028 -4.043 1.00 0.00 C ATOM 219 OG1 THR A 15 -3.482 11.055 -4.797 1.00 0.00 O ATOM 220 CG2 THR A 15 -3.820 11.825 -2.586 1.00 0.00 C ATOM 0 H THR A 15 -5.876 11.276 -2.366 1.00 0.00 H new ATOM 0 HA THR A 15 -6.052 13.001 -4.464 1.00 0.00 H new ATOM 0 HB THR A 15 -3.890 13.039 -4.326 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.756 11.487 -5.293 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.737 11.874 -2.471 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.285 12.605 -1.983 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.176 10.850 -2.255 1.00 0.00 H new ATOM 228 N GLU A 16 -5.719 11.895 -6.765 1.00 0.00 N ATOM 229 CA GLU A 16 -5.942 11.307 -8.083 1.00 0.00 C ATOM 230 C GLU A 16 -4.926 10.210 -8.392 1.00 0.00 C ATOM 231 O GLU A 16 -5.234 9.254 -9.103 1.00 0.00 O ATOM 232 CB GLU A 16 -5.884 12.394 -9.159 1.00 0.00 C ATOM 233 CG GLU A 16 -7.165 12.515 -9.967 1.00 0.00 C ATOM 234 CD GLU A 16 -6.918 12.498 -11.463 1.00 0.00 C ATOM 235 OE1 GLU A 16 -5.928 11.868 -11.894 1.00 0.00 O ATOM 236 OE2 GLU A 16 -7.714 13.110 -12.204 1.00 0.00 O ATOM 0 H GLU A 16 -5.367 12.852 -6.788 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.932 10.851 -8.080 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.671 13.352 -8.685 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.056 12.181 -9.835 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.834 11.696 -9.704 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.673 13.441 -9.697 1.00 0.00 H new ATOM 243 N GLU A 17 -3.717 10.347 -7.854 1.00 0.00 N ATOM 244 CA GLU A 17 -2.670 9.350 -8.081 1.00 0.00 C ATOM 245 C GLU A 17 -2.755 8.227 -7.057 1.00 0.00 C ATOM 246 O GLU A 17 -1.753 7.580 -6.755 1.00 0.00 O ATOM 247 CB GLU A 17 -1.276 9.983 -8.013 1.00 0.00 C ATOM 248 CG GLU A 17 -1.171 11.334 -8.695 1.00 0.00 C ATOM 249 CD GLU A 17 -1.517 12.486 -7.771 1.00 0.00 C ATOM 250 OE1 GLU A 17 -2.187 12.243 -6.745 1.00 0.00 O ATOM 251 OE2 GLU A 17 -1.117 13.629 -8.073 1.00 0.00 O ATOM 0 H GLU A 17 -3.438 11.130 -7.263 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.828 8.942 -9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.991 10.094 -6.967 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.558 9.302 -8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.157 11.468 -9.072 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.837 11.353 -9.558 1.00 0.00 H new ATOM 258 N GLU A 18 -3.948 7.998 -6.520 1.00 0.00 N ATOM 259 CA GLU A 18 -4.141 6.958 -5.528 1.00 0.00 C ATOM 260 C GLU A 18 -4.957 5.804 -6.079 1.00 0.00 C ATOM 261 O GLU A 18 -5.332 5.789 -7.252 1.00 0.00 O ATOM 262 CB GLU A 18 -4.836 7.511 -4.293 1.00 0.00 C ATOM 263 CG GLU A 18 -4.112 8.688 -3.657 1.00 0.00 C ATOM 264 CD GLU A 18 -3.755 8.450 -2.202 1.00 0.00 C ATOM 265 OE1 GLU A 18 -4.682 8.275 -1.384 1.00 0.00 O ATOM 266 OE2 GLU A 18 -2.549 8.447 -1.880 1.00 0.00 O ATOM 0 H GLU A 18 -4.792 8.520 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.151 6.590 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.846 7.820 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.934 6.715 -3.555 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.201 8.894 -4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.740 9.576 -3.731 1.00 0.00 H new ATOM 273 N LEU A 19 -5.234 4.842 -5.210 1.00 0.00 N ATOM 274 CA LEU A 19 -6.009 3.673 -5.577 1.00 0.00 C ATOM 275 C LEU A 19 -6.991 3.319 -4.470 1.00 0.00 C ATOM 276 O LEU A 19 -6.644 3.359 -3.290 1.00 0.00 O ATOM 277 CB LEU A 19 -5.078 2.496 -5.846 1.00 0.00 C ATOM 278 CG LEU A 19 -5.050 2.028 -7.294 1.00 0.00 C ATOM 279 CD1 LEU A 19 -4.282 3.000 -8.166 1.00 0.00 C ATOM 280 CD2 LEU A 19 -4.459 0.634 -7.386 1.00 0.00 C ATOM 0 H LEU A 19 -4.928 4.853 -4.237 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.572 3.896 -6.483 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.067 2.774 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.378 1.660 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.075 1.993 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.278 2.641 -9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.758 3.980 -8.125 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.256 3.080 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.445 0.313 -8.427 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.441 0.644 -6.996 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.065 -0.058 -6.801 1.00 0.00 H new ATOM 292 N ASN A 20 -8.216 2.973 -4.849 1.00 0.00 N ATOM 293 CA ASN A 20 -9.226 2.617 -3.860 1.00 0.00 C ATOM 294 C ASN A 20 -9.615 1.146 -3.965 1.00 0.00 C ATOM 295 O ASN A 20 -10.432 0.765 -4.800 1.00 0.00 O ATOM 296 CB ASN A 20 -10.469 3.498 -4.023 1.00 0.00 C ATOM 297 CG ASN A 20 -10.782 3.808 -5.476 1.00 0.00 C ATOM 298 OD1 ASN A 20 -10.710 4.959 -5.906 1.00 0.00 O ATOM 299 ND2 ASN A 20 -11.132 2.779 -6.239 1.00 0.00 N ATOM 0 H ASN A 20 -8.531 2.932 -5.818 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.794 2.785 -2.873 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -11.325 2.998 -3.570 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -10.321 4.432 -3.480 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -11.354 2.926 -7.224 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -11.179 1.841 -5.841 1.00 0.00 H new ATOM 306 N PHE A 21 -9.040 0.345 -3.073 1.00 0.00 N ATOM 307 CA PHE A 21 -9.310 -1.089 -2.993 1.00 0.00 C ATOM 308 C PHE A 21 -9.543 -1.453 -1.532 1.00 0.00 C ATOM 309 O PHE A 21 -9.181 -0.680 -0.645 1.00 0.00 O ATOM 310 CB PHE A 21 -8.135 -1.891 -3.562 1.00 0.00 C ATOM 311 CG PHE A 21 -7.836 -1.586 -5.007 1.00 0.00 C ATOM 312 CD1 PHE A 21 -8.824 -1.106 -5.856 1.00 0.00 C ATOM 313 CD2 PHE A 21 -6.565 -1.783 -5.517 1.00 0.00 C ATOM 314 CE1 PHE A 21 -8.548 -0.824 -7.180 1.00 0.00 C ATOM 315 CE2 PHE A 21 -6.284 -1.504 -6.839 1.00 0.00 C ATOM 316 CZ PHE A 21 -7.274 -1.023 -7.672 1.00 0.00 C ATOM 0 H PHE A 21 -8.368 0.674 -2.380 1.00 0.00 H new ATOM 0 HA PHE A 21 -10.194 -1.331 -3.583 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -7.246 -1.688 -2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -8.350 -2.955 -3.462 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.823 -0.951 -5.476 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -5.784 -2.159 -4.873 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.327 -0.449 -7.828 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.287 -1.662 -7.223 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.052 -0.803 -8.706 1.00 0.00 H new ATOM 326 N GLU A 22 -10.138 -2.608 -1.260 1.00 0.00 N ATOM 327 CA GLU A 22 -10.379 -2.986 0.121 1.00 0.00 C ATOM 328 C GLU A 22 -9.107 -3.579 0.729 1.00 0.00 C ATOM 329 O GLU A 22 -8.821 -4.767 0.585 1.00 0.00 O ATOM 330 CB GLU A 22 -11.553 -3.974 0.188 1.00 0.00 C ATOM 331 CG GLU A 22 -11.440 -5.016 1.286 1.00 0.00 C ATOM 332 CD GLU A 22 -11.248 -4.402 2.660 1.00 0.00 C ATOM 333 OE1 GLU A 22 -11.902 -3.378 2.948 1.00 0.00 O ATOM 334 OE2 GLU A 22 -10.445 -4.946 3.446 1.00 0.00 O ATOM 0 H GLU A 22 -10.454 -3.281 -1.958 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.646 -2.105 0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.476 -3.412 0.332 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -11.637 -4.484 -0.772 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.339 -5.632 1.290 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.602 -5.678 1.068 1.00 0.00 H new ATOM 341 N LYS A 23 -8.356 -2.729 1.418 1.00 0.00 N ATOM 342 CA LYS A 23 -7.122 -3.135 2.074 1.00 0.00 C ATOM 343 C LYS A 23 -7.409 -3.900 3.361 1.00 0.00 C ATOM 344 O LYS A 23 -8.352 -3.581 4.085 1.00 0.00 O ATOM 345 CB LYS A 23 -6.236 -1.921 2.347 1.00 0.00 C ATOM 346 CG LYS A 23 -4.918 -1.956 1.591 1.00 0.00 C ATOM 347 CD LYS A 23 -4.054 -3.121 2.039 1.00 0.00 C ATOM 348 CE LYS A 23 -2.576 -2.836 1.835 1.00 0.00 C ATOM 349 NZ LYS A 23 -1.720 -3.774 2.614 1.00 0.00 N ATOM 0 H LYS A 23 -8.585 -1.742 1.537 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.587 -3.806 1.402 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.779 -1.016 2.075 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.032 -1.862 3.416 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.112 -2.035 0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.381 -1.021 1.749 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.242 -3.330 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.332 -4.016 1.482 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.333 -2.917 0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.359 -1.811 2.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.736 -3.438 2.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.058 -3.817 3.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.768 -4.722 2.189 1.00 0.00 H new ATOM 363 N GLY A 24 -6.591 -4.902 3.648 1.00 0.00 N ATOM 364 CA GLY A 24 -6.775 -5.683 4.857 1.00 0.00 C ATOM 365 C GLY A 24 -5.549 -6.498 5.206 1.00 0.00 C ATOM 366 O GLY A 24 -5.184 -6.619 6.376 1.00 0.00 O ATOM 0 H GLY A 24 -5.803 -5.189 3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.013 -5.016 5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.628 -6.350 4.730 1.00 0.00 H new ATOM 370 N GLU A 25 -4.918 -7.059 4.186 1.00 0.00 N ATOM 371 CA GLU A 25 -3.733 -7.872 4.365 1.00 0.00 C ATOM 372 C GLU A 25 -2.463 -7.044 4.180 1.00 0.00 C ATOM 373 O GLU A 25 -2.432 -5.861 4.518 1.00 0.00 O ATOM 374 CB GLU A 25 -3.763 -9.043 3.390 1.00 0.00 C ATOM 375 CG GLU A 25 -3.259 -10.323 4.012 1.00 0.00 C ATOM 376 CD GLU A 25 -2.717 -11.302 2.989 1.00 0.00 C ATOM 377 OE1 GLU A 25 -2.437 -10.876 1.848 1.00 0.00 O ATOM 378 OE2 GLU A 25 -2.575 -12.496 3.327 1.00 0.00 O ATOM 0 H GLU A 25 -5.215 -6.962 3.215 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.726 -8.258 5.384 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.783 -9.191 3.036 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -3.155 -8.802 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.476 -10.087 4.732 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.070 -10.796 4.566 1.00 0.00 H new ATOM 385 N THR A 26 -1.411 -7.672 3.656 1.00 0.00 N ATOM 386 CA THR A 26 -0.147 -6.984 3.452 1.00 0.00 C ATOM 387 C THR A 26 0.135 -6.722 1.975 1.00 0.00 C ATOM 388 O THR A 26 -0.206 -7.520 1.102 1.00 0.00 O ATOM 389 CB THR A 26 1.009 -7.779 4.070 1.00 0.00 C ATOM 390 OG1 THR A 26 1.789 -8.410 3.069 1.00 0.00 O ATOM 391 CG2 THR A 26 0.565 -8.853 5.043 1.00 0.00 C ATOM 0 H THR A 26 -1.413 -8.650 3.368 1.00 0.00 H new ATOM 0 HA THR A 26 -0.228 -6.019 3.951 1.00 0.00 H new ATOM 0 HB THR A 26 1.590 -7.036 4.617 1.00 0.00 H new ATOM 0 HG1 THR A 26 2.520 -8.909 3.490 1.00 0.00 H new ATOM 0 HG21 THR A 26 1.439 -9.371 5.437 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.014 -8.395 5.864 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.078 -9.567 4.528 1.00 0.00 H new ATOM 399 N MET A 27 0.788 -5.596 1.726 1.00 0.00 N ATOM 400 CA MET A 27 1.173 -5.179 0.387 1.00 0.00 C ATOM 401 C MET A 27 2.617 -4.707 0.427 1.00 0.00 C ATOM 402 O MET A 27 3.155 -4.486 1.501 1.00 0.00 O ATOM 403 CB MET A 27 0.261 -4.065 -0.131 1.00 0.00 C ATOM 404 CG MET A 27 -1.111 -4.558 -0.561 1.00 0.00 C ATOM 405 SD MET A 27 -1.025 -5.785 -1.878 1.00 0.00 S ATOM 406 CE MET A 27 -1.913 -7.150 -1.130 1.00 0.00 C ATOM 0 H MET A 27 1.068 -4.940 2.456 1.00 0.00 H new ATOM 0 HA MET A 27 1.073 -6.023 -0.296 1.00 0.00 H new ATOM 0 HB2 MET A 27 0.141 -3.313 0.648 1.00 0.00 H new ATOM 0 HB3 MET A 27 0.744 -3.574 -0.976 1.00 0.00 H new ATOM 0 HG2 MET A 27 -1.624 -4.989 0.299 1.00 0.00 H new ATOM 0 HG3 MET A 27 -1.709 -3.711 -0.897 1.00 0.00 H new ATOM 0 HE1 MET A 27 -1.252 -8.012 -1.047 1.00 0.00 H new ATOM 0 HE2 MET A 27 -2.257 -6.860 -0.137 1.00 0.00 H new ATOM 0 HE3 MET A 27 -2.771 -7.409 -1.750 1.00 0.00 H new ATOM 416 N GLU A 28 3.248 -4.575 -0.726 1.00 0.00 N ATOM 417 CA GLU A 28 4.642 -4.142 -0.781 1.00 0.00 C ATOM 418 C GLU A 28 4.769 -2.779 -1.440 1.00 0.00 C ATOM 419 O GLU A 28 4.355 -2.589 -2.581 1.00 0.00 O ATOM 420 CB GLU A 28 5.493 -5.148 -1.544 1.00 0.00 C ATOM 421 CG GLU A 28 4.972 -6.575 -1.493 1.00 0.00 C ATOM 422 CD GLU A 28 6.064 -7.601 -1.726 1.00 0.00 C ATOM 423 OE1 GLU A 28 6.823 -7.447 -2.705 1.00 0.00 O ATOM 424 OE2 GLU A 28 6.159 -8.559 -0.930 1.00 0.00 O ATOM 0 H GLU A 28 2.824 -4.759 -1.635 1.00 0.00 H new ATOM 0 HA GLU A 28 4.999 -4.073 0.247 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.558 -4.835 -2.586 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.506 -5.129 -1.141 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.510 -6.755 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.193 -6.701 -2.245 1.00 0.00 H new ATOM 431 N VAL A 29 5.355 -1.841 -0.713 1.00 0.00 N ATOM 432 CA VAL A 29 5.542 -0.491 -1.210 1.00 0.00 C ATOM 433 C VAL A 29 6.901 -0.328 -1.885 1.00 0.00 C ATOM 434 O VAL A 29 7.942 -0.655 -1.316 1.00 0.00 O ATOM 435 CB VAL A 29 5.372 0.526 -0.062 1.00 0.00 C ATOM 436 CG1 VAL A 29 6.120 1.820 -0.330 1.00 0.00 C ATOM 437 CG2 VAL A 29 3.895 0.794 0.171 1.00 0.00 C ATOM 0 H VAL A 29 5.711 -1.994 0.230 1.00 0.00 H new ATOM 0 HA VAL A 29 4.779 -0.298 -1.964 1.00 0.00 H new ATOM 0 HB VAL A 29 5.806 0.092 0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 29 5.972 2.506 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.184 1.609 -0.442 1.00 0.00 H new ATOM 0 HG13 VAL A 29 5.742 2.276 -1.245 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.779 1.513 0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.451 1.199 -0.738 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.394 -0.137 0.436 1.00 0.00 H new ATOM 447 N ILE A 30 6.865 0.178 -3.111 1.00 0.00 N ATOM 448 CA ILE A 30 8.073 0.395 -3.901 1.00 0.00 C ATOM 449 C ILE A 30 8.628 1.799 -3.686 1.00 0.00 C ATOM 450 O ILE A 30 9.841 1.994 -3.610 1.00 0.00 O ATOM 451 CB ILE A 30 7.813 0.197 -5.411 1.00 0.00 C ATOM 452 CG1 ILE A 30 6.389 0.646 -5.780 1.00 0.00 C ATOM 453 CG2 ILE A 30 8.056 -1.252 -5.810 1.00 0.00 C ATOM 454 CD1 ILE A 30 5.357 -0.464 -5.778 1.00 0.00 C ATOM 0 H ILE A 30 6.003 0.449 -3.585 1.00 0.00 H new ATOM 0 HA ILE A 30 8.799 -0.344 -3.562 1.00 0.00 H new ATOM 0 HB ILE A 30 8.513 0.820 -5.968 1.00 0.00 H new ATOM 0 HG12 ILE A 30 6.073 1.419 -5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 30 6.411 1.102 -6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.868 -1.372 -6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.089 -1.521 -5.591 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.385 -1.902 -5.248 1.00 0.00 H new ATOM 0 HD11 ILE A 30 4.383 -0.056 -6.049 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.644 -1.229 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.301 -0.907 -4.784 1.00 0.00 H new ATOM 466 N GLU A 31 7.730 2.772 -3.598 1.00 0.00 N ATOM 467 CA GLU A 31 8.124 4.161 -3.403 1.00 0.00 C ATOM 468 C GLU A 31 8.262 4.489 -1.921 1.00 0.00 C ATOM 469 O GLU A 31 7.294 4.409 -1.165 1.00 0.00 O ATOM 470 CB GLU A 31 7.098 5.091 -4.053 1.00 0.00 C ATOM 471 CG GLU A 31 7.445 6.564 -3.930 1.00 0.00 C ATOM 472 CD GLU A 31 6.346 7.467 -4.455 1.00 0.00 C ATOM 473 OE1 GLU A 31 5.506 6.983 -5.242 1.00 0.00 O ATOM 474 OE2 GLU A 31 6.326 8.657 -4.079 1.00 0.00 O ATOM 0 H GLU A 31 6.723 2.624 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 31 9.095 4.310 -3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.007 4.835 -5.109 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.123 4.917 -3.597 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.637 6.802 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.367 6.763 -4.477 1.00 0.00 H new ATOM 481 N LYS A 32 9.471 4.862 -1.511 1.00 0.00 N ATOM 482 CA LYS A 32 9.731 5.206 -0.119 1.00 0.00 C ATOM 483 C LYS A 32 9.755 6.723 0.067 1.00 0.00 C ATOM 484 O LYS A 32 10.002 7.466 -0.882 1.00 0.00 O ATOM 485 CB LYS A 32 11.055 4.595 0.343 1.00 0.00 C ATOM 486 CG LYS A 32 10.892 3.271 1.072 1.00 0.00 C ATOM 487 CD LYS A 32 10.150 2.253 0.220 1.00 0.00 C ATOM 488 CE LYS A 32 10.908 1.938 -1.059 1.00 0.00 C ATOM 489 NZ LYS A 32 12.359 1.719 -0.804 1.00 0.00 N ATOM 0 H LYS A 32 10.284 4.933 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 32 8.925 4.797 0.490 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.699 4.446 -0.524 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.562 5.302 1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.873 2.878 1.338 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.349 3.432 2.004 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.003 1.337 0.792 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.160 2.637 -0.028 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.483 1.048 -1.524 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.783 2.758 -1.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 12.764 1.146 -1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.847 2.637 -0.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.481 1.221 0.101 1.00 0.00 H new ATOM 503 N PRO A 33 9.480 7.206 1.292 1.00 0.00 N ATOM 504 CA PRO A 33 9.452 8.635 1.598 1.00 0.00 C ATOM 505 C PRO A 33 10.834 9.222 1.885 1.00 0.00 C ATOM 506 O PRO A 33 10.947 10.372 2.308 1.00 0.00 O ATOM 507 CB PRO A 33 8.565 8.718 2.853 1.00 0.00 C ATOM 508 CG PRO A 33 8.188 7.307 3.199 1.00 0.00 C ATOM 509 CD PRO A 33 9.154 6.412 2.477 1.00 0.00 C ATOM 0 HA PRO A 33 9.082 9.211 0.750 1.00 0.00 H new ATOM 0 HB2 PRO A 33 9.101 9.190 3.677 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.678 9.322 2.662 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.241 7.145 4.276 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.163 7.095 2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 33 10.037 6.196 3.078 1.00 0.00 H new ATOM 0 HD3 PRO A 33 8.705 5.454 2.215 1.00 0.00 H new ATOM 517 N GLU A 34 11.883 8.438 1.655 1.00 0.00 N ATOM 518 CA GLU A 34 13.246 8.911 1.894 1.00 0.00 C ATOM 519 C GLU A 34 13.809 9.605 0.657 1.00 0.00 C ATOM 520 O GLU A 34 14.623 10.523 0.765 1.00 0.00 O ATOM 521 CB GLU A 34 14.172 7.765 2.325 1.00 0.00 C ATOM 522 CG GLU A 34 13.775 6.396 1.794 1.00 0.00 C ATOM 523 CD GLU A 34 13.734 6.343 0.280 1.00 0.00 C ATOM 524 OE1 GLU A 34 12.686 6.695 -0.299 1.00 0.00 O ATOM 525 OE2 GLU A 34 14.752 5.948 -0.327 1.00 0.00 O ATOM 0 H GLU A 34 11.819 7.481 1.307 1.00 0.00 H new ATOM 0 HA GLU A 34 13.199 9.634 2.709 1.00 0.00 H new ATOM 0 HB2 GLU A 34 15.185 7.989 1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.196 7.725 3.414 1.00 0.00 H new ATOM 0 HG2 GLU A 34 14.481 5.651 2.160 1.00 0.00 H new ATOM 0 HG3 GLU A 34 12.795 6.128 2.189 1.00 0.00 H new ATOM 532 N ASN A 35 13.368 9.166 -0.516 1.00 0.00 N ATOM 533 CA ASN A 35 13.823 9.748 -1.774 1.00 0.00 C ATOM 534 C ASN A 35 12.644 10.297 -2.570 1.00 0.00 C ATOM 535 O ASN A 35 12.753 11.328 -3.235 1.00 0.00 O ATOM 536 CB ASN A 35 14.573 8.705 -2.603 1.00 0.00 C ATOM 537 CG ASN A 35 15.695 8.046 -1.826 1.00 0.00 C ATOM 538 OD1 ASN A 35 16.156 8.572 -0.812 1.00 0.00 O ATOM 539 ND2 ASN A 35 16.143 6.889 -2.299 1.00 0.00 N ATOM 0 H ASN A 35 12.694 8.407 -0.623 1.00 0.00 H new ATOM 0 HA ASN A 35 14.501 10.570 -1.544 1.00 0.00 H new ATOM 0 HB2 ASN A 35 13.872 7.942 -2.941 1.00 0.00 H new ATOM 0 HB3 ASN A 35 14.982 9.180 -3.495 1.00 0.00 H new ATOM 0 HD21 ASN A 35 16.898 6.400 -1.819 1.00 0.00 H new ATOM 0 HD22 ASN A 35 15.732 6.489 -3.143 1.00 0.00 H new ATOM 546 N ASP A 36 11.516 9.600 -2.492 1.00 0.00 N ATOM 547 CA ASP A 36 10.307 10.006 -3.197 1.00 0.00 C ATOM 548 C ASP A 36 9.383 10.789 -2.270 1.00 0.00 C ATOM 549 O ASP A 36 9.563 10.777 -1.052 1.00 0.00 O ATOM 550 CB ASP A 36 9.582 8.781 -3.755 1.00 0.00 C ATOM 551 CG ASP A 36 9.976 8.479 -5.187 1.00 0.00 C ATOM 552 OD1 ASP A 36 9.976 9.417 -6.013 1.00 0.00 O ATOM 553 OD2 ASP A 36 10.285 7.305 -5.483 1.00 0.00 O ATOM 0 H ASP A 36 11.414 8.746 -1.944 1.00 0.00 H new ATOM 0 HA ASP A 36 10.593 10.653 -4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 36 9.803 7.916 -3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 36 8.506 8.945 -3.704 1.00 0.00 H new ATOM 558 N PRO A 37 8.381 11.490 -2.834 1.00 0.00 N ATOM 559 CA PRO A 37 7.427 12.285 -2.059 1.00 0.00 C ATOM 560 C PRO A 37 6.915 11.554 -0.820 1.00 0.00 C ATOM 561 O PRO A 37 7.262 10.399 -0.575 1.00 0.00 O ATOM 562 CB PRO A 37 6.275 12.551 -3.046 1.00 0.00 C ATOM 563 CG PRO A 37 6.613 11.798 -4.295 1.00 0.00 C ATOM 564 CD PRO A 37 8.097 11.571 -4.270 1.00 0.00 C ATOM 0 HA PRO A 37 7.889 13.194 -1.675 1.00 0.00 H new ATOM 0 HB2 PRO A 37 5.324 12.214 -2.634 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.175 13.617 -3.249 1.00 0.00 H new ATOM 0 HG2 PRO A 37 6.077 10.850 -4.333 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.322 12.365 -5.180 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.376 10.655 -4.791 1.00 0.00 H new ATOM 0 HD3 PRO A 37 8.641 12.387 -4.746 1.00 0.00 H new ATOM 572 N GLU A 38 6.088 12.242 -0.036 1.00 0.00 N ATOM 573 CA GLU A 38 5.531 11.673 1.188 1.00 0.00 C ATOM 574 C GLU A 38 4.532 10.549 0.901 1.00 0.00 C ATOM 575 O GLU A 38 4.029 9.913 1.827 1.00 0.00 O ATOM 576 CB GLU A 38 4.857 12.771 2.015 1.00 0.00 C ATOM 577 CG GLU A 38 5.432 12.915 3.416 1.00 0.00 C ATOM 578 CD GLU A 38 6.458 14.029 3.512 1.00 0.00 C ATOM 579 OE1 GLU A 38 6.306 15.039 2.792 1.00 0.00 O ATOM 580 OE2 GLU A 38 7.411 13.890 4.306 1.00 0.00 O ATOM 0 H GLU A 38 5.788 13.198 -0.228 1.00 0.00 H new ATOM 0 HA GLU A 38 6.357 11.240 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.955 13.722 1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 38 3.791 12.557 2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 38 4.622 13.110 4.119 1.00 0.00 H new ATOM 0 HG3 GLU A 38 5.894 11.974 3.714 1.00 0.00 H new ATOM 587 N TRP A 39 4.241 10.304 -0.375 1.00 0.00 N ATOM 588 CA TRP A 39 3.297 9.254 -0.748 1.00 0.00 C ATOM 589 C TRP A 39 4.027 8.047 -1.328 1.00 0.00 C ATOM 590 O TRP A 39 5.042 8.194 -2.010 1.00 0.00 O ATOM 591 CB TRP A 39 2.281 9.774 -1.775 1.00 0.00 C ATOM 592 CG TRP A 39 2.196 11.269 -1.846 1.00 0.00 C ATOM 593 CD1 TRP A 39 1.703 12.111 -0.891 1.00 0.00 C ATOM 594 CD2 TRP A 39 2.619 12.099 -2.934 1.00 0.00 C ATOM 595 NE1 TRP A 39 1.794 13.415 -1.318 1.00 0.00 N ATOM 596 CE2 TRP A 39 2.353 13.433 -2.570 1.00 0.00 C ATOM 597 CE3 TRP A 39 3.198 11.844 -4.181 1.00 0.00 C ATOM 598 CZ2 TRP A 39 2.647 14.506 -3.408 1.00 0.00 C ATOM 599 CZ3 TRP A 39 3.489 12.910 -5.011 1.00 0.00 C ATOM 600 CH2 TRP A 39 3.213 14.227 -4.622 1.00 0.00 C ATOM 0 H TRP A 39 4.642 10.814 -1.162 1.00 0.00 H new ATOM 0 HA TRP A 39 2.769 8.951 0.156 1.00 0.00 H new ATOM 0 HB2 TRP A 39 2.545 9.388 -2.760 1.00 0.00 H new ATOM 0 HB3 TRP A 39 1.296 9.376 -1.530 1.00 0.00 H new ATOM 0 HD1 TRP A 39 1.300 11.798 0.061 1.00 0.00 H new ATOM 0 HE1 TRP A 39 1.495 14.235 -0.790 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.414 10.832 -4.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 2.436 15.522 -3.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 3.937 12.724 -5.976 1.00 0.00 H new ATOM 0 HH2 TRP A 39 3.452 15.038 -5.294 1.00 0.00 H new ATOM 611 N TRP A 40 3.496 6.856 -1.070 1.00 0.00 N ATOM 612 CA TRP A 40 4.091 5.631 -1.585 1.00 0.00 C ATOM 613 C TRP A 40 3.065 4.839 -2.394 1.00 0.00 C ATOM 614 O TRP A 40 1.884 5.180 -2.400 1.00 0.00 O ATOM 615 CB TRP A 40 4.680 4.783 -0.451 1.00 0.00 C ATOM 616 CG TRP A 40 3.702 4.376 0.616 1.00 0.00 C ATOM 617 CD1 TRP A 40 2.350 4.257 0.500 1.00 0.00 C ATOM 618 CD2 TRP A 40 4.015 4.025 1.969 1.00 0.00 C ATOM 619 NE1 TRP A 40 1.804 3.847 1.694 1.00 0.00 N ATOM 620 CE2 TRP A 40 2.807 3.699 2.610 1.00 0.00 C ATOM 621 CE3 TRP A 40 5.201 3.954 2.700 1.00 0.00 C ATOM 622 CZ2 TRP A 40 2.755 3.305 3.943 1.00 0.00 C ATOM 623 CZ3 TRP A 40 5.149 3.566 4.024 1.00 0.00 C ATOM 624 CH2 TRP A 40 3.931 3.245 4.632 1.00 0.00 C ATOM 0 H TRP A 40 2.656 6.715 -0.508 1.00 0.00 H new ATOM 0 HA TRP A 40 4.912 5.902 -2.249 1.00 0.00 H new ATOM 0 HB2 TRP A 40 5.119 3.883 -0.882 1.00 0.00 H new ATOM 0 HB3 TRP A 40 5.491 5.342 0.016 1.00 0.00 H new ATOM 0 HD1 TRP A 40 1.788 4.456 -0.400 1.00 0.00 H new ATOM 0 HE1 TRP A 40 0.813 3.681 1.867 1.00 0.00 H new ATOM 0 HE3 TRP A 40 6.146 4.199 2.237 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 1.817 3.055 4.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 6.062 3.510 4.598 1.00 0.00 H new ATOM 0 HH2 TRP A 40 3.921 2.943 5.669 1.00 0.00 H new ATOM 635 N LYS A 41 3.517 3.803 -3.096 1.00 0.00 N ATOM 636 CA LYS A 41 2.624 2.997 -3.924 1.00 0.00 C ATOM 637 C LYS A 41 3.021 1.526 -3.933 1.00 0.00 C ATOM 638 O LYS A 41 4.199 1.189 -4.024 1.00 0.00 O ATOM 639 CB LYS A 41 2.558 3.543 -5.348 1.00 0.00 C ATOM 640 CG LYS A 41 3.909 3.793 -5.982 1.00 0.00 C ATOM 641 CD LYS A 41 4.423 2.557 -6.686 1.00 0.00 C ATOM 642 CE LYS A 41 3.816 2.357 -8.072 1.00 0.00 C ATOM 643 NZ LYS A 41 2.893 3.457 -8.474 1.00 0.00 N ATOM 0 H LYS A 41 4.492 3.503 -3.108 1.00 0.00 H new ATOM 0 HA LYS A 41 1.631 3.064 -3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.003 2.840 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.995 4.476 -5.341 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.832 4.614 -6.694 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.621 4.101 -5.216 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.507 2.624 -6.778 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.208 1.682 -6.073 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.619 2.279 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.274 1.412 -8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 2.501 3.255 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.118 3.529 -7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.416 4.356 -8.502 1.00 0.00 H new ATOM 657 N CYS A 42 2.021 0.654 -3.835 1.00 0.00 N ATOM 658 CA CYS A 42 2.252 -0.784 -3.838 1.00 0.00 C ATOM 659 C CYS A 42 1.252 -1.469 -4.760 1.00 0.00 C ATOM 660 O CYS A 42 0.189 -0.921 -5.047 1.00 0.00 O ATOM 661 CB CYS A 42 2.130 -1.371 -2.428 1.00 0.00 C ATOM 662 SG CYS A 42 0.639 -0.873 -1.539 1.00 0.00 S ATOM 0 H CYS A 42 1.040 0.922 -3.752 1.00 0.00 H new ATOM 0 HA CYS A 42 3.266 -0.959 -4.197 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.151 -2.459 -2.497 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.002 -1.072 -1.846 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.312 -0.627 -2.390 1.00 0.00 H new ATOM 668 N LYS A 43 1.597 -2.665 -5.225 1.00 0.00 N ATOM 669 CA LYS A 43 0.731 -3.410 -6.130 1.00 0.00 C ATOM 670 C LYS A 43 -0.199 -4.354 -5.378 1.00 0.00 C ATOM 671 O LYS A 43 0.213 -5.070 -4.464 1.00 0.00 O ATOM 672 CB LYS A 43 1.572 -4.203 -7.133 1.00 0.00 C ATOM 673 CG LYS A 43 2.678 -5.023 -6.487 1.00 0.00 C ATOM 674 CD LYS A 43 3.288 -6.010 -7.470 1.00 0.00 C ATOM 675 CE LYS A 43 4.650 -6.497 -7.000 1.00 0.00 C ATOM 676 NZ LYS A 43 5.762 -5.778 -7.680 1.00 0.00 N ATOM 0 H LYS A 43 2.469 -3.138 -4.990 1.00 0.00 H new ATOM 0 HA LYS A 43 0.114 -2.685 -6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.918 -4.870 -7.696 1.00 0.00 H new ATOM 0 HB3 LYS A 43 2.015 -3.512 -7.850 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.454 -4.356 -6.111 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.278 -5.563 -5.629 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.619 -6.862 -7.594 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.387 -5.537 -8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.733 -6.358 -5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 43 4.739 -7.566 -7.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.673 -6.139 -7.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.698 -5.931 -8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.693 -4.760 -7.477 1.00 0.00 H new ATOM 690 N ASN A 44 -1.460 -4.340 -5.796 1.00 0.00 N ATOM 691 CA ASN A 44 -2.493 -5.176 -5.212 1.00 0.00 C ATOM 692 C ASN A 44 -2.869 -6.259 -6.195 1.00 0.00 C ATOM 693 O ASN A 44 -2.421 -6.249 -7.342 1.00 0.00 O ATOM 694 CB ASN A 44 -3.733 -4.337 -4.871 1.00 0.00 C ATOM 695 CG ASN A 44 -4.375 -4.757 -3.563 1.00 0.00 C ATOM 696 OD1 ASN A 44 -3.965 -4.317 -2.489 1.00 0.00 O ATOM 697 ND2 ASN A 44 -5.388 -5.610 -3.648 1.00 0.00 N ATOM 0 H ASN A 44 -1.792 -3.744 -6.554 1.00 0.00 H new ATOM 0 HA ASN A 44 -2.112 -5.624 -4.294 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.452 -3.285 -4.813 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.462 -4.428 -5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.860 -5.927 -2.801 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.694 -5.949 -4.560 1.00 0.00 H new ATOM 704 N ALA A 45 -3.720 -7.169 -5.767 1.00 0.00 N ATOM 705 CA ALA A 45 -4.172 -8.223 -6.651 1.00 0.00 C ATOM 706 C ALA A 45 -5.176 -7.652 -7.650 1.00 0.00 C ATOM 707 O ALA A 45 -5.786 -8.377 -8.435 1.00 0.00 O ATOM 708 CB ALA A 45 -4.784 -9.360 -5.854 1.00 0.00 C ATOM 0 H ALA A 45 -4.108 -7.201 -4.824 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.320 -8.624 -7.199 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.118 -10.143 -6.535 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.039 -9.767 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.635 -8.988 -5.284 1.00 0.00 H new ATOM 714 N ARG A 46 -5.331 -6.333 -7.593 1.00 0.00 N ATOM 715 CA ARG A 46 -6.238 -5.596 -8.450 1.00 0.00 C ATOM 716 C ARG A 46 -5.594 -5.282 -9.802 1.00 0.00 C ATOM 717 O ARG A 46 -6.256 -4.781 -10.711 1.00 0.00 O ATOM 718 CB ARG A 46 -6.566 -4.280 -7.749 1.00 0.00 C ATOM 719 CG ARG A 46 -7.987 -4.135 -7.246 1.00 0.00 C ATOM 720 CD ARG A 46 -8.318 -5.055 -6.081 1.00 0.00 C ATOM 721 NE ARG A 46 -7.808 -6.412 -6.268 1.00 0.00 N ATOM 722 CZ ARG A 46 -8.479 -7.374 -6.903 1.00 0.00 C ATOM 723 NH1 ARG A 46 -9.663 -7.119 -7.449 1.00 0.00 N ATOM 724 NH2 ARG A 46 -7.966 -8.593 -6.997 1.00 0.00 N ATOM 0 H ARG A 46 -4.819 -5.742 -6.938 1.00 0.00 H new ATOM 0 HA ARG A 46 -7.131 -6.195 -8.629 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.888 -4.162 -6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.360 -3.462 -8.439 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.151 -3.102 -6.940 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.676 -4.338 -8.066 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -7.900 -4.638 -5.165 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.399 -5.093 -5.950 1.00 0.00 H new ATOM 0 HE ARG A 46 -6.887 -6.636 -5.892 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.064 -6.183 -7.384 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.171 -7.859 -7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.056 -8.797 -6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.481 -9.327 -7.483 1.00 0.00 H new ATOM 738 N GLY A 47 -4.294 -5.555 -9.924 1.00 0.00 N ATOM 739 CA GLY A 47 -3.589 -5.269 -11.161 1.00 0.00 C ATOM 740 C GLY A 47 -3.122 -3.821 -11.243 1.00 0.00 C ATOM 741 O GLY A 47 -2.282 -3.480 -12.076 1.00 0.00 O ATOM 0 H GLY A 47 -3.720 -5.968 -9.189 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.727 -5.931 -11.246 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.242 -5.486 -12.006 1.00 0.00 H new ATOM 745 N GLN A 48 -3.670 -2.970 -10.375 1.00 0.00 N ATOM 746 CA GLN A 48 -3.317 -1.557 -10.339 1.00 0.00 C ATOM 747 C GLN A 48 -2.705 -1.186 -9.002 1.00 0.00 C ATOM 748 O GLN A 48 -3.204 -1.586 -7.950 1.00 0.00 O ATOM 749 CB GLN A 48 -4.553 -0.672 -10.572 1.00 0.00 C ATOM 750 CG GLN A 48 -4.293 0.820 -10.404 1.00 0.00 C ATOM 751 CD GLN A 48 -4.352 1.574 -11.718 1.00 0.00 C ATOM 752 OE1 GLN A 48 -3.339 1.745 -12.396 1.00 0.00 O ATOM 753 NE2 GLN A 48 -5.544 2.031 -12.086 1.00 0.00 N ATOM 0 H GLN A 48 -4.367 -3.242 -9.682 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.592 -1.388 -11.135 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.931 -0.853 -11.578 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.338 -0.973 -9.878 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.028 1.238 -9.716 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.313 0.965 -9.950 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.358 1.867 -11.494 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -5.645 2.546 -12.961 1.00 0.00 H new ATOM 762 N VAL A 49 -1.659 -0.380 -9.040 1.00 0.00 N ATOM 763 CA VAL A 49 -1.037 0.092 -7.818 1.00 0.00 C ATOM 764 C VAL A 49 -1.104 1.605 -7.784 1.00 0.00 C ATOM 765 O VAL A 49 -0.653 2.281 -8.710 1.00 0.00 O ATOM 766 CB VAL A 49 0.433 -0.352 -7.658 1.00 0.00 C ATOM 767 CG1 VAL A 49 1.061 -0.673 -8.993 1.00 0.00 C ATOM 768 CG2 VAL A 49 1.241 0.709 -6.920 1.00 0.00 C ATOM 0 H VAL A 49 -1.225 -0.041 -9.899 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.590 -0.353 -6.991 1.00 0.00 H new ATOM 0 HB VAL A 49 0.440 -1.265 -7.062 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.096 -0.982 -8.844 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.507 -1.481 -9.471 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.035 0.212 -9.629 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.274 0.375 -6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.215 1.642 -7.482 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.813 0.869 -5.931 1.00 0.00 H new ATOM 778 N GLY A 50 -1.654 2.131 -6.710 1.00 0.00 N ATOM 779 CA GLY A 50 -1.756 3.559 -6.570 1.00 0.00 C ATOM 780 C GLY A 50 -0.971 4.047 -5.386 1.00 0.00 C ATOM 781 O GLY A 50 -0.086 3.356 -4.887 1.00 0.00 O ATOM 0 H GLY A 50 -2.033 1.593 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.391 4.043 -7.476 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.803 3.842 -6.457 1.00 0.00 H new ATOM 785 N LEU A 51 -1.310 5.228 -4.924 1.00 0.00 N ATOM 786 CA LEU A 51 -0.642 5.801 -3.772 1.00 0.00 C ATOM 787 C LEU A 51 -1.449 5.519 -2.513 1.00 0.00 C ATOM 788 O LEU A 51 -2.540 6.052 -2.329 1.00 0.00 O ATOM 789 CB LEU A 51 -0.435 7.306 -3.958 1.00 0.00 C ATOM 790 CG LEU A 51 0.979 7.728 -4.385 1.00 0.00 C ATOM 791 CD1 LEU A 51 1.569 6.760 -5.403 1.00 0.00 C ATOM 792 CD2 LEU A 51 0.956 9.133 -4.955 1.00 0.00 C ATOM 0 H LEU A 51 -2.043 5.812 -5.326 1.00 0.00 H new ATOM 0 HA LEU A 51 0.340 5.339 -3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.144 7.664 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.678 7.808 -3.021 1.00 0.00 H new ATOM 0 HG LEU A 51 1.613 7.709 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 51 2.570 7.090 -5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.625 5.763 -4.967 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.935 6.734 -6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.964 9.421 -5.254 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.297 9.163 -5.823 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.590 9.827 -4.198 1.00 0.00 H new ATOM 804 N VAL A 52 -0.912 4.663 -1.658 1.00 0.00 N ATOM 805 CA VAL A 52 -1.594 4.298 -0.423 1.00 0.00 C ATOM 806 C VAL A 52 -1.162 5.198 0.729 1.00 0.00 C ATOM 807 O VAL A 52 0.024 5.436 0.939 1.00 0.00 O ATOM 808 CB VAL A 52 -1.349 2.815 -0.034 1.00 0.00 C ATOM 809 CG1 VAL A 52 0.102 2.421 -0.262 1.00 0.00 C ATOM 810 CG2 VAL A 52 -1.748 2.548 1.417 1.00 0.00 C ATOM 0 H VAL A 52 -0.009 4.208 -1.794 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.660 4.432 -0.609 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.978 2.202 -0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.244 1.377 0.019 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.353 2.551 -1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.750 3.052 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.564 1.501 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -1.158 3.182 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.807 2.771 1.550 1.00 0.00 H new ATOM 820 N PRO A 53 -2.131 5.705 1.499 1.00 0.00 N ATOM 821 CA PRO A 53 -1.866 6.571 2.652 1.00 0.00 C ATOM 822 C PRO A 53 -1.319 5.784 3.837 1.00 0.00 C ATOM 823 O PRO A 53 -2.051 5.047 4.498 1.00 0.00 O ATOM 824 CB PRO A 53 -3.251 7.104 2.985 1.00 0.00 C ATOM 825 CG PRO A 53 -4.121 5.963 2.626 1.00 0.00 C ATOM 826 CD PRO A 53 -3.577 5.472 1.326 1.00 0.00 C ATOM 0 HA PRO A 53 -1.122 7.339 2.439 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.342 7.370 4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.493 7.997 2.409 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.090 5.185 3.389 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.162 6.273 2.529 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.805 4.419 1.159 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.982 6.024 0.478 1.00 0.00 H new ATOM 834 N LYS A 54 -0.035 5.948 4.099 1.00 0.00 N ATOM 835 CA LYS A 54 0.627 5.264 5.204 1.00 0.00 C ATOM 836 C LYS A 54 -0.116 5.455 6.520 1.00 0.00 C ATOM 837 O LYS A 54 0.023 4.662 7.450 1.00 0.00 O ATOM 838 CB LYS A 54 2.018 5.824 5.357 1.00 0.00 C ATOM 839 CG LYS A 54 1.983 7.299 5.672 1.00 0.00 C ATOM 840 CD LYS A 54 2.547 7.592 7.051 1.00 0.00 C ATOM 841 CE LYS A 54 2.714 9.085 7.280 1.00 0.00 C ATOM 842 NZ LYS A 54 3.867 9.386 8.173 1.00 0.00 N ATOM 0 H LYS A 54 0.579 6.555 3.557 1.00 0.00 H new ATOM 0 HA LYS A 54 0.648 4.199 4.975 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.541 5.292 6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 54 2.582 5.659 4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.554 7.845 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.956 7.659 5.615 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.885 7.178 7.811 1.00 0.00 H new ATOM 0 HD3 LYS A 54 3.511 7.096 7.164 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.857 9.585 6.322 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.801 9.489 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.946 10.415 8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.719 8.930 9.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 4.742 9.023 7.744 1.00 0.00 H new ATOM 856 N ASN A 55 -0.892 6.526 6.590 1.00 0.00 N ATOM 857 CA ASN A 55 -1.652 6.850 7.792 1.00 0.00 C ATOM 858 C ASN A 55 -2.750 5.830 8.028 1.00 0.00 C ATOM 859 O ASN A 55 -3.379 5.806 9.086 1.00 0.00 O ATOM 860 CB ASN A 55 -2.265 8.241 7.666 1.00 0.00 C ATOM 861 CG ASN A 55 -2.652 8.827 9.008 1.00 0.00 C ATOM 862 OD1 ASN A 55 -1.943 8.660 10.001 1.00 0.00 O ATOM 863 ND2 ASN A 55 -3.785 9.520 9.047 1.00 0.00 N ATOM 0 H ASN A 55 -1.014 7.190 5.825 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.969 6.830 8.641 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.554 8.905 7.175 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.147 8.190 7.027 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.097 9.938 9.923 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.342 9.634 8.200 1.00 0.00 H new ATOM 870 N TYR A 56 -2.976 4.990 7.031 1.00 0.00 N ATOM 871 CA TYR A 56 -3.996 3.966 7.115 1.00 0.00 C ATOM 872 C TYR A 56 -3.367 2.583 7.045 1.00 0.00 C ATOM 873 O TYR A 56 -4.062 1.587 6.844 1.00 0.00 O ATOM 874 CB TYR A 56 -4.998 4.151 5.976 1.00 0.00 C ATOM 875 CG TYR A 56 -5.838 5.405 6.101 1.00 0.00 C ATOM 876 CD1 TYR A 56 -6.184 5.907 7.347 1.00 0.00 C ATOM 877 CD2 TYR A 56 -6.294 6.079 4.974 1.00 0.00 C ATOM 878 CE1 TYR A 56 -6.959 7.042 7.474 1.00 0.00 C ATOM 879 CE2 TYR A 56 -7.069 7.217 5.092 1.00 0.00 C ATOM 880 CZ TYR A 56 -7.398 7.694 6.343 1.00 0.00 C ATOM 881 OH TYR A 56 -8.171 8.827 6.462 1.00 0.00 O ATOM 0 H TYR A 56 -2.461 5.000 6.150 1.00 0.00 H new ATOM 0 HA TYR A 56 -4.515 4.057 8.069 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -4.458 4.179 5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -5.658 3.284 5.940 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -5.840 5.399 8.236 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -6.039 5.708 3.992 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -7.219 7.416 8.453 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -7.416 7.731 4.208 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.396 9.165 5.570 1.00 0.00 H new ATOM 891 N VAL A 57 -2.044 2.527 7.193 1.00 0.00 N ATOM 892 CA VAL A 57 -1.333 1.256 7.129 1.00 0.00 C ATOM 893 C VAL A 57 -0.076 1.243 7.998 1.00 0.00 C ATOM 894 O VAL A 57 0.310 2.254 8.586 1.00 0.00 O ATOM 895 CB VAL A 57 -0.944 0.904 5.668 1.00 0.00 C ATOM 896 CG1 VAL A 57 -1.843 1.622 4.673 1.00 0.00 C ATOM 897 CG2 VAL A 57 0.513 1.243 5.387 1.00 0.00 C ATOM 0 H VAL A 57 -1.450 3.340 7.356 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.023 0.506 7.516 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.079 -0.171 5.549 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.547 1.357 3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.879 1.325 4.839 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.748 2.699 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.754 0.985 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.675 2.310 5.541 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.155 0.677 6.062 1.00 0.00 H new ATOM 907 N VAL A 58 0.570 0.082 8.027 1.00 0.00 N ATOM 908 CA VAL A 58 1.809 -0.118 8.766 1.00 0.00 C ATOM 909 C VAL A 58 2.757 -0.969 7.927 1.00 0.00 C ATOM 910 O VAL A 58 2.424 -2.093 7.551 1.00 0.00 O ATOM 911 CB VAL A 58 1.574 -0.807 10.128 1.00 0.00 C ATOM 912 CG1 VAL A 58 0.947 -2.180 9.937 1.00 0.00 C ATOM 913 CG2 VAL A 58 2.878 -0.914 10.904 1.00 0.00 C ATOM 0 H VAL A 58 0.246 -0.751 7.535 1.00 0.00 H new ATOM 0 HA VAL A 58 2.241 0.863 8.965 1.00 0.00 H new ATOM 0 HB VAL A 58 0.881 -0.196 10.705 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.790 -2.647 10.909 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.010 -2.075 9.427 1.00 0.00 H new ATOM 0 HG13 VAL A 58 1.611 -2.803 9.338 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.693 -1.402 11.861 1.00 0.00 H new ATOM 0 HG22 VAL A 58 3.596 -1.500 10.330 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.281 0.084 11.078 1.00 0.00 H new ATOM 923 N VAL A 59 3.923 -0.425 7.610 1.00 0.00 N ATOM 924 CA VAL A 59 4.890 -1.138 6.785 1.00 0.00 C ATOM 925 C VAL A 59 5.414 -2.385 7.490 1.00 0.00 C ATOM 926 O VAL A 59 5.550 -2.415 8.713 1.00 0.00 O ATOM 927 CB VAL A 59 6.057 -0.222 6.379 1.00 0.00 C ATOM 928 CG1 VAL A 59 6.930 -0.891 5.333 1.00 0.00 C ATOM 929 CG2 VAL A 59 5.518 1.094 5.850 1.00 0.00 C ATOM 0 H VAL A 59 4.222 0.503 7.909 1.00 0.00 H new ATOM 0 HA VAL A 59 4.371 -1.454 5.880 1.00 0.00 H new ATOM 0 HB VAL A 59 6.670 -0.030 7.260 1.00 0.00 H new ATOM 0 HG11 VAL A 59 7.748 -0.224 5.062 1.00 0.00 H new ATOM 0 HG12 VAL A 59 7.336 -1.818 5.737 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.333 -1.112 4.448 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.349 1.739 5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 59 4.888 0.906 4.980 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.929 1.584 6.625 1.00 0.00 H new ATOM 939 N LEU A 60 5.684 -3.423 6.701 1.00 0.00 N ATOM 940 CA LEU A 60 6.167 -4.691 7.225 1.00 0.00 C ATOM 941 C LEU A 60 7.264 -5.265 6.329 1.00 0.00 C ATOM 942 O LEU A 60 6.985 -5.864 5.297 1.00 0.00 O ATOM 943 CB LEU A 60 4.983 -5.666 7.363 1.00 0.00 C ATOM 944 CG LEU A 60 5.257 -7.139 7.019 1.00 0.00 C ATOM 945 CD1 LEU A 60 4.898 -8.040 8.192 1.00 0.00 C ATOM 946 CD2 LEU A 60 4.475 -7.546 5.777 1.00 0.00 C ATOM 0 H LEU A 60 5.574 -3.406 5.687 1.00 0.00 H new ATOM 0 HA LEU A 60 6.607 -4.534 8.210 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.621 -5.618 8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.175 -5.312 6.723 1.00 0.00 H new ATOM 0 HG LEU A 60 6.321 -7.253 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.099 -9.078 7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.497 -7.763 9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.840 -7.924 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.679 -8.591 5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.408 -7.416 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.778 -6.922 4.936 1.00 0.00 H new ATOM 958 N SER A 61 8.510 -5.081 6.740 1.00 0.00 N ATOM 959 CA SER A 61 9.652 -5.580 5.985 1.00 0.00 C ATOM 960 C SER A 61 10.415 -6.631 6.784 1.00 0.00 C ATOM 961 O SER A 61 11.429 -7.146 6.267 1.00 0.00 O ATOM 962 CB SER A 61 10.588 -4.429 5.613 1.00 0.00 C ATOM 963 OG SER A 61 11.204 -3.880 6.765 1.00 0.00 O ATOM 964 OXT SER A 61 9.994 -6.929 7.922 1.00 0.00 O ATOM 0 H SER A 61 8.758 -4.587 7.597 1.00 0.00 H new ATOM 0 HA SER A 61 9.277 -6.043 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.353 -4.786 4.923 1.00 0.00 H new ATOM 0 HB3 SER A 61 10.027 -3.653 5.092 1.00 0.00 H new ATOM 0 HG SER A 61 11.799 -3.147 6.500 1.00 0.00 H new