USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 661 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 59 TYR OH : rot -30:sc= 1.72 USER MOD Set 1.2: A 63 LYS NZ :NH3+ -163:sc= 1.59 (180deg=0.993) USER MOD Set 2.1: A 53 MET CE :methyl -168:sc= -0.0537 (180deg=-0.298) USER MOD Set 2.2: A 99 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 26 GLN :FLIP amide:sc= 0 F(o=-0.9!,f=0.085) USER MOD Set 3.2: A 48 THR OG1 : rot 180:sc= 0.0851 USER MOD Single : A 25 ASN : amide:sc= 0.0147 X(o=0.015,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.23) USER MOD Single : A 43 GLN : amide:sc= -0.0978 X(o=-0.098,f=-0.42) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc=-0.00044 X(o=-0.00044,f=-0.14) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.566 K(o=0.57,f=-0.61) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.287 X(o=0.29,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0.234 X(o=0.23,f=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 71 GLN : amide:sc= 0.589 K(o=0.59,f=-0.15) USER MOD Single : A 72 HIS : no HD1:sc= -0.0946 K(o=-0.095,f=-2.2!) USER MOD Single : A 73 MET CE :methyl 179:sc= -0.0311 (180deg=-0.0331) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 46:sc=-0.00617 USER MOD Single : A 88 GLN : amide:sc= 0.743 K(o=0.74,f=-4.3!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot -160:sc= 0.363 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 128:sc= 1.24 USER MOD Single : A 101 MET CE :methyl -178:sc= -0.052 (180deg=-0.0697) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -0.0534 X(o=-0.053,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 25 10.965 2.473 5.564 1.00 0.00 N ATOM 38 CA ASN A 25 10.990 1.599 4.376 1.00 0.00 C ATOM 39 C ASN A 25 10.656 2.359 3.077 1.00 0.00 C ATOM 40 O ASN A 25 9.587 2.215 2.487 1.00 0.00 O ATOM 41 CB ASN A 25 10.110 0.359 4.616 1.00 0.00 C ATOM 42 CG ASN A 25 10.833 -0.770 5.338 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.924 -1.891 4.855 1.00 0.00 O ATOM 44 ND2 ASN A 25 11.381 -0.520 6.505 1.00 0.00 N ATOM 0 HA ASN A 25 12.010 1.244 4.226 1.00 0.00 H new ATOM 0 HB2 ASN A 25 9.236 0.651 5.199 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.745 -0.009 3.657 1.00 0.00 H new ATOM 0 HD21 ASN A 25 11.879 -1.258 7.003 1.00 0.00 H new ATOM 0 HD22 ASN A 25 11.309 0.412 6.913 1.00 0.00 H new ATOM 51 N GLN A 26 11.506 3.327 2.766 1.00 0.00 N ATOM 52 CA GLN A 26 11.402 4.350 1.707 1.00 0.00 C ATOM 53 C GLN A 26 12.791 4.987 1.454 1.00 0.00 C ATOM 54 O GLN A 26 13.788 4.553 2.039 1.00 0.00 O ATOM 55 CB GLN A 26 10.281 5.355 2.032 1.00 0.00 C ATOM 56 CG GLN A 26 10.201 5.856 3.484 1.00 0.00 C ATOM 57 CD GLN A 26 8.892 5.510 4.209 1.00 0.00 C ATOM 58 OE1 GLN A 26 8.414 4.282 4.148 1.00 0.00 O flip ATOM 59 NE2 GLN A 26 8.315 6.328 4.909 1.00 0.00 N flip ATOM 0 H GLN A 26 12.373 3.436 3.293 1.00 0.00 H new ATOM 0 HA GLN A 26 11.107 3.893 0.763 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.400 6.220 1.380 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.327 4.894 1.778 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.034 5.435 4.046 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.328 6.939 3.488 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.666 7.284 4.972 1.00 0.00 H new ATOM 0 HE22 GLN A 26 7.482 6.055 5.431 1.00 0.00 H new ATOM 68 N VAL A 27 12.884 5.986 0.566 1.00 0.00 N ATOM 69 CA VAL A 27 14.166 6.530 0.068 1.00 0.00 C ATOM 70 C VAL A 27 14.770 7.556 1.042 1.00 0.00 C ATOM 71 O VAL A 27 14.168 7.866 2.069 1.00 0.00 O ATOM 72 CB VAL A 27 14.025 7.133 -1.361 1.00 0.00 C ATOM 73 CG1 VAL A 27 14.497 6.141 -2.421 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.613 7.570 -1.773 1.00 0.00 C ATOM 0 H VAL A 27 12.067 6.447 0.166 1.00 0.00 H new ATOM 0 HA VAL A 27 14.857 5.690 0.004 1.00 0.00 H new ATOM 0 HB VAL A 27 14.644 8.028 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.388 6.586 -3.410 1.00 0.00 H new ATOM 0 HG12 VAL A 27 15.544 5.894 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 27 13.896 5.234 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.638 7.973 -2.785 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.942 6.711 -1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.254 8.336 -1.086 1.00 0.00 H new ATOM 84 N ARG A 28 16.014 7.988 0.760 1.00 0.00 N ATOM 85 CA ARG A 28 16.791 9.072 1.405 1.00 0.00 C ATOM 86 C ARG A 28 17.940 9.462 0.441 1.00 0.00 C ATOM 87 O ARG A 28 18.583 8.557 -0.095 1.00 0.00 O ATOM 88 CB ARG A 28 17.343 8.526 2.749 1.00 0.00 C ATOM 89 CG ARG A 28 17.988 9.480 3.775 1.00 0.00 C ATOM 90 CD ARG A 28 19.268 10.214 3.361 1.00 0.00 C ATOM 91 NE ARG A 28 19.999 10.712 4.544 1.00 0.00 N ATOM 92 CZ ARG A 28 21.123 11.409 4.556 1.00 0.00 C ATOM 93 NH1 ARG A 28 21.731 11.779 3.465 1.00 0.00 N ATOM 94 NH2 ARG A 28 21.665 11.755 5.689 1.00 0.00 N ATOM 0 H ARG A 28 16.551 7.552 0.010 1.00 0.00 H new ATOM 0 HA ARG A 28 16.184 9.954 1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.520 8.020 3.253 1.00 0.00 H new ATOM 0 HB3 ARG A 28 18.085 7.765 2.507 1.00 0.00 H new ATOM 0 HG2 ARG A 28 17.245 10.230 4.048 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.207 8.906 4.675 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.908 9.542 2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 28 19.017 11.049 2.706 1.00 0.00 H new ATOM 0 HE ARG A 28 19.591 10.494 5.453 1.00 0.00 H new ATOM 0 HH11 ARG A 28 21.342 11.532 2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 28 22.596 12.316 3.520 1.00 0.00 H new ATOM 0 HH21 ARG A 28 21.223 11.488 6.568 1.00 0.00 H new ATOM 0 HH22 ARG A 28 22.532 12.293 5.697 1.00 0.00 H new ATOM 108 N PRO A 29 18.207 10.759 0.186 1.00 0.00 N ATOM 109 CA PRO A 29 19.119 11.199 -0.880 1.00 0.00 C ATOM 110 C PRO A 29 20.540 11.548 -0.403 1.00 0.00 C ATOM 111 O PRO A 29 20.857 11.498 0.788 1.00 0.00 O ATOM 112 CB PRO A 29 18.426 12.457 -1.424 1.00 0.00 C ATOM 113 CG PRO A 29 17.938 13.109 -0.135 1.00 0.00 C ATOM 114 CD PRO A 29 17.444 11.905 0.668 1.00 0.00 C ATOM 0 HA PRO A 29 19.277 10.402 -1.607 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.113 13.099 -1.975 1.00 0.00 H new ATOM 0 HB3 PRO A 29 17.605 12.215 -2.099 1.00 0.00 H new ATOM 0 HG2 PRO A 29 18.737 13.642 0.380 1.00 0.00 H new ATOM 0 HG3 PRO A 29 17.142 13.830 -0.319 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.601 12.057 1.736 1.00 0.00 H new ATOM 0 HD3 PRO A 29 16.375 11.751 0.522 1.00 0.00 H new ATOM 122 N LYS A 30 21.361 11.976 -1.368 1.00 0.00 N ATOM 123 CA LYS A 30 22.674 12.626 -1.201 1.00 0.00 C ATOM 124 C LYS A 30 22.623 14.013 -1.860 1.00 0.00 C ATOM 125 O LYS A 30 21.708 14.277 -2.641 1.00 0.00 O ATOM 126 CB LYS A 30 23.814 11.717 -1.706 1.00 0.00 C ATOM 127 CG LYS A 30 23.748 11.403 -3.211 1.00 0.00 C ATOM 128 CD LYS A 30 24.934 10.558 -3.705 1.00 0.00 C ATOM 129 CE LYS A 30 26.272 11.315 -3.636 1.00 0.00 C ATOM 130 NZ LYS A 30 27.395 10.486 -4.156 1.00 0.00 N ATOM 0 H LYS A 30 21.114 11.873 -2.352 1.00 0.00 H new ATOM 0 HA LYS A 30 22.898 12.780 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 30 24.769 12.195 -1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.791 10.780 -1.149 1.00 0.00 H new ATOM 0 HG2 LYS A 30 22.819 10.874 -3.425 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.719 12.338 -3.770 1.00 0.00 H new ATOM 0 HD2 LYS A 30 25.003 9.651 -3.105 1.00 0.00 H new ATOM 0 HD3 LYS A 30 24.750 10.247 -4.733 1.00 0.00 H new ATOM 0 HE2 LYS A 30 26.200 12.236 -4.214 1.00 0.00 H new ATOM 0 HE3 LYS A 30 26.477 11.601 -2.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 28.282 11.026 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 27.478 9.619 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 27.210 10.234 -5.148 1.00 0.00 H new ATOM 144 N LEU A 31 23.593 14.882 -1.583 1.00 0.00 N ATOM 145 CA LEU A 31 23.615 16.312 -1.937 1.00 0.00 C ATOM 146 C LEU A 31 23.060 16.678 -3.341 1.00 0.00 C ATOM 147 O LEU A 31 22.090 17.436 -3.394 1.00 0.00 O ATOM 148 CB LEU A 31 25.051 16.811 -1.664 1.00 0.00 C ATOM 149 CG LEU A 31 25.342 18.260 -2.084 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.467 19.272 -1.342 1.00 0.00 C ATOM 151 CD2 LEU A 31 26.807 18.597 -1.807 1.00 0.00 C ATOM 0 H LEU A 31 24.433 14.599 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 31 22.898 16.842 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 31 25.254 16.713 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 31 25.749 16.154 -2.183 1.00 0.00 H new ATOM 0 HG LEU A 31 25.119 18.329 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.713 20.280 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 31 23.417 19.067 -1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 31 24.647 19.191 -0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 31 27.007 19.626 -2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 31 27.011 18.483 -0.742 1.00 0.00 H new ATOM 0 HD23 LEU A 31 27.449 17.923 -2.374 1.00 0.00 H new ATOM 163 N PRO A 32 23.576 16.148 -4.472 1.00 0.00 N ATOM 164 CA PRO A 32 23.083 16.511 -5.812 1.00 0.00 C ATOM 165 C PRO A 32 21.663 16.008 -6.116 1.00 0.00 C ATOM 166 O PRO A 32 20.957 16.617 -6.918 1.00 0.00 O ATOM 167 CB PRO A 32 24.106 15.914 -6.785 1.00 0.00 C ATOM 168 CG PRO A 32 24.691 14.730 -6.020 1.00 0.00 C ATOM 169 CD PRO A 32 24.730 15.264 -4.592 1.00 0.00 C ATOM 0 HA PRO A 32 22.995 17.594 -5.899 1.00 0.00 H new ATOM 0 HB2 PRO A 32 23.635 15.596 -7.715 1.00 0.00 H new ATOM 0 HB3 PRO A 32 24.876 16.639 -7.050 1.00 0.00 H new ATOM 0 HG2 PRO A 32 24.067 13.840 -6.106 1.00 0.00 H new ATOM 0 HG3 PRO A 32 25.683 14.460 -6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 32 24.678 14.451 -3.868 1.00 0.00 H new ATOM 0 HD3 PRO A 32 25.658 15.803 -4.400 1.00 0.00 H new ATOM 177 N LEU A 33 21.213 14.931 -5.462 1.00 0.00 N ATOM 178 CA LEU A 33 19.863 14.375 -5.633 1.00 0.00 C ATOM 179 C LEU A 33 18.835 15.144 -4.780 1.00 0.00 C ATOM 180 O LEU A 33 17.750 15.479 -5.255 1.00 0.00 O ATOM 181 CB LEU A 33 19.877 12.867 -5.311 1.00 0.00 C ATOM 182 CG LEU A 33 20.976 12.028 -5.997 1.00 0.00 C ATOM 183 CD1 LEU A 33 20.764 10.546 -5.685 1.00 0.00 C ATOM 184 CD2 LEU A 33 21.020 12.190 -7.517 1.00 0.00 C ATOM 0 H LEU A 33 21.781 14.414 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 33 19.555 14.494 -6.672 1.00 0.00 H new ATOM 0 HB2 LEU A 33 19.981 12.749 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 33 18.908 12.450 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 33 21.922 12.396 -5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 33 21.542 9.957 -6.171 1.00 0.00 H new ATOM 0 HD12 LEU A 33 20.811 10.391 -4.607 1.00 0.00 H new ATOM 0 HD13 LEU A 33 19.787 10.233 -6.054 1.00 0.00 H new ATOM 0 HD21 LEU A 33 21.817 11.570 -7.926 1.00 0.00 H new ATOM 0 HD22 LEU A 33 20.065 11.882 -7.944 1.00 0.00 H new ATOM 0 HD23 LEU A 33 21.209 13.234 -7.766 1.00 0.00 H new ATOM 196 N LEU A 34 19.223 15.529 -3.555 1.00 0.00 N ATOM 197 CA LEU A 34 18.459 16.434 -2.680 1.00 0.00 C ATOM 198 C LEU A 34 18.250 17.807 -3.330 1.00 0.00 C ATOM 199 O LEU A 34 17.200 18.413 -3.137 1.00 0.00 O ATOM 200 CB LEU A 34 19.198 16.520 -1.327 1.00 0.00 C ATOM 201 CG LEU A 34 18.615 17.456 -0.233 1.00 0.00 C ATOM 202 CD1 LEU A 34 18.979 16.913 1.150 1.00 0.00 C ATOM 203 CD2 LEU A 34 19.231 18.855 -0.331 1.00 0.00 C ATOM 0 H LEU A 34 20.097 15.213 -3.134 1.00 0.00 H new ATOM 0 HA LEU A 34 17.456 16.042 -2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.251 15.514 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 34 20.222 16.837 -1.526 1.00 0.00 H new ATOM 0 HG LEU A 34 17.536 17.503 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.570 17.570 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.563 15.912 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.064 16.869 1.250 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.808 19.494 0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.311 18.787 -0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.013 19.281 -1.310 1.00 0.00 H new ATOM 215 N LYS A 35 19.199 18.263 -4.156 1.00 0.00 N ATOM 216 CA LYS A 35 19.159 19.559 -4.863 1.00 0.00 C ATOM 217 C LYS A 35 17.934 19.700 -5.777 1.00 0.00 C ATOM 218 O LYS A 35 17.315 20.759 -5.848 1.00 0.00 O ATOM 219 CB LYS A 35 20.464 19.698 -5.678 1.00 0.00 C ATOM 220 CG LYS A 35 21.015 21.126 -5.754 1.00 0.00 C ATOM 221 CD LYS A 35 21.535 21.613 -4.391 1.00 0.00 C ATOM 222 CE LYS A 35 22.445 22.831 -4.598 1.00 0.00 C ATOM 223 NZ LYS A 35 22.900 23.415 -3.305 1.00 0.00 N ATOM 0 H LYS A 35 20.043 17.728 -4.360 1.00 0.00 H new ATOM 0 HA LYS A 35 19.075 20.356 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 35 21.223 19.052 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 35 20.286 19.336 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.822 21.165 -6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.233 21.799 -6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 35 20.699 21.876 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.085 20.815 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.313 22.539 -5.189 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.911 23.589 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.512 24.235 -3.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 22.074 23.718 -2.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.432 22.700 -2.769 1.00 0.00 H new ATOM 237 N ILE A 36 17.552 18.600 -6.426 1.00 0.00 N ATOM 238 CA ILE A 36 16.443 18.519 -7.393 1.00 0.00 C ATOM 239 C ILE A 36 15.100 18.567 -6.660 1.00 0.00 C ATOM 240 O ILE A 36 14.198 19.307 -7.047 1.00 0.00 O ATOM 241 CB ILE A 36 16.601 17.242 -8.253 1.00 0.00 C ATOM 242 CG1 ILE A 36 17.978 17.268 -8.955 1.00 0.00 C ATOM 243 CG2 ILE A 36 15.476 17.118 -9.299 1.00 0.00 C ATOM 244 CD1 ILE A 36 18.374 15.952 -9.620 1.00 0.00 C ATOM 0 H ILE A 36 18.020 17.704 -6.292 1.00 0.00 H new ATOM 0 HA ILE A 36 16.469 19.376 -8.065 1.00 0.00 H new ATOM 0 HB ILE A 36 16.534 16.375 -7.596 1.00 0.00 H new ATOM 0 HG12 ILE A 36 17.972 18.055 -9.710 1.00 0.00 H new ATOM 0 HG13 ILE A 36 18.740 17.534 -8.223 1.00 0.00 H new ATOM 0 HG21 ILE A 36 15.621 16.209 -9.883 1.00 0.00 H new ATOM 0 HG22 ILE A 36 14.512 17.074 -8.793 1.00 0.00 H new ATOM 0 HG23 ILE A 36 15.498 17.983 -9.962 1.00 0.00 H new ATOM 0 HD11 ILE A 36 19.353 16.061 -10.087 1.00 0.00 H new ATOM 0 HD12 ILE A 36 18.416 15.163 -8.869 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.636 15.691 -10.379 1.00 0.00 H new ATOM 256 N LEU A 37 14.991 17.853 -5.538 1.00 0.00 N ATOM 257 CA LEU A 37 13.824 17.933 -4.658 1.00 0.00 C ATOM 258 C LEU A 37 13.756 19.284 -3.909 1.00 0.00 C ATOM 259 O LEU A 37 12.667 19.808 -3.706 1.00 0.00 O ATOM 260 CB LEU A 37 13.783 16.675 -3.763 1.00 0.00 C ATOM 261 CG LEU A 37 13.064 15.441 -4.353 1.00 0.00 C ATOM 262 CD1 LEU A 37 11.559 15.657 -4.466 1.00 0.00 C ATOM 263 CD2 LEU A 37 13.568 14.968 -5.712 1.00 0.00 C ATOM 0 H LEU A 37 15.708 17.204 -5.214 1.00 0.00 H new ATOM 0 HA LEU A 37 12.905 17.927 -5.243 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.808 16.392 -3.523 1.00 0.00 H new ATOM 0 HB3 LEU A 37 13.297 16.938 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 37 13.301 14.661 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.094 14.765 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.144 15.852 -3.477 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.362 16.509 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.994 14.098 -6.030 1.00 0.00 H new ATOM 0 HD22 LEU A 37 13.449 15.768 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 37 14.622 14.699 -5.636 1.00 0.00 H new ATOM 275 N HIS A 38 14.880 19.934 -3.589 1.00 0.00 N ATOM 276 CA HIS A 38 14.897 21.319 -3.077 1.00 0.00 C ATOM 277 C HIS A 38 14.410 22.330 -4.125 1.00 0.00 C ATOM 278 O HIS A 38 13.654 23.238 -3.779 1.00 0.00 O ATOM 279 CB HIS A 38 16.297 21.690 -2.559 1.00 0.00 C ATOM 280 CG HIS A 38 16.511 21.403 -1.092 1.00 0.00 C ATOM 281 ND1 HIS A 38 17.294 22.183 -0.235 1.00 0.00 N ATOM 282 CD2 HIS A 38 15.929 20.400 -0.369 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.167 21.634 0.984 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.359 20.561 0.934 1.00 0.00 N ATOM 0 H HIS A 38 15.808 19.519 -3.676 1.00 0.00 H new ATOM 0 HA HIS A 38 14.197 21.365 -2.243 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.042 21.144 -3.137 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.469 22.751 -2.739 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.265 19.634 -0.742 1.00 0.00 H new ATOM 0 HE1 HIS A 38 17.647 22.003 1.879 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.106 19.967 1.724 1.00 0.00 H new ATOM 292 N ALA A 39 14.736 22.138 -5.409 1.00 0.00 N ATOM 293 CA ALA A 39 14.139 22.915 -6.503 1.00 0.00 C ATOM 294 C ALA A 39 12.617 22.662 -6.646 1.00 0.00 C ATOM 295 O ALA A 39 11.891 23.527 -7.140 1.00 0.00 O ATOM 296 CB ALA A 39 14.894 22.616 -7.803 1.00 0.00 C ATOM 0 H ALA A 39 15.417 21.444 -5.718 1.00 0.00 H new ATOM 0 HA ALA A 39 14.238 23.975 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.455 23.190 -8.619 1.00 0.00 H new ATOM 0 HB2 ALA A 39 15.942 22.893 -7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.823 21.552 -8.029 1.00 0.00 H new ATOM 302 N ALA A 40 12.122 21.518 -6.152 1.00 0.00 N ATOM 303 CA ALA A 40 10.696 21.207 -6.010 1.00 0.00 C ATOM 304 C ALA A 40 10.055 21.750 -4.710 1.00 0.00 C ATOM 305 O ALA A 40 8.888 21.457 -4.440 1.00 0.00 O ATOM 306 CB ALA A 40 10.504 19.685 -6.091 1.00 0.00 C ATOM 0 H ALA A 40 12.725 20.760 -5.830 1.00 0.00 H new ATOM 0 HA ALA A 40 10.183 21.714 -6.827 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.446 19.446 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.864 19.324 -7.054 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.066 19.204 -5.290 1.00 0.00 H new ATOM 312 N GLY A 41 10.802 22.480 -3.870 1.00 0.00 N ATOM 313 CA GLY A 41 10.341 22.981 -2.567 1.00 0.00 C ATOM 314 C GLY A 41 10.227 21.914 -1.463 1.00 0.00 C ATOM 315 O GLY A 41 9.535 22.144 -0.468 1.00 0.00 O ATOM 0 H GLY A 41 11.764 22.744 -4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.027 23.759 -2.230 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.366 23.451 -2.699 1.00 0.00 H new ATOM 319 N ALA A 42 10.862 20.749 -1.637 1.00 0.00 N ATOM 320 CA ALA A 42 10.817 19.612 -0.723 1.00 0.00 C ATOM 321 C ALA A 42 11.939 19.656 0.346 1.00 0.00 C ATOM 322 O ALA A 42 12.673 20.641 0.474 1.00 0.00 O ATOM 323 CB ALA A 42 10.976 18.351 -1.578 1.00 0.00 C ATOM 0 H ALA A 42 11.445 20.570 -2.455 1.00 0.00 H new ATOM 0 HA ALA A 42 9.873 19.629 -0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.949 17.470 -0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.163 18.298 -2.302 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.930 18.386 -2.105 1.00 0.00 H new ATOM 329 N GLN A 43 12.139 18.527 1.042 1.00 0.00 N ATOM 330 CA GLN A 43 13.271 18.259 1.950 1.00 0.00 C ATOM 331 C GLN A 43 13.954 16.923 1.605 1.00 0.00 C ATOM 332 O GLN A 43 13.927 15.956 2.370 1.00 0.00 O ATOM 333 CB GLN A 43 12.822 18.324 3.428 1.00 0.00 C ATOM 334 CG GLN A 43 12.152 19.636 3.879 1.00 0.00 C ATOM 335 CD GLN A 43 10.654 19.703 3.563 1.00 0.00 C ATOM 336 OE1 GLN A 43 10.189 20.488 2.747 1.00 0.00 O ATOM 337 NE2 GLN A 43 9.830 18.896 4.203 1.00 0.00 N ATOM 0 H GLN A 43 11.491 17.741 0.987 1.00 0.00 H new ATOM 0 HA GLN A 43 14.017 19.041 1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.127 17.504 3.611 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.694 18.150 4.059 1.00 0.00 H new ATOM 0 HG2 GLN A 43 12.293 19.755 4.953 1.00 0.00 H new ATOM 0 HG3 GLN A 43 12.654 20.475 3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 43 10.194 18.233 4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 43 8.829 18.935 4.013 1.00 0.00 H new ATOM 346 N GLY A 44 14.567 16.863 0.419 1.00 0.00 N ATOM 347 CA GLY A 44 15.265 15.679 -0.074 1.00 0.00 C ATOM 348 C GLY A 44 14.312 14.591 -0.566 1.00 0.00 C ATOM 349 O GLY A 44 13.339 14.886 -1.240 1.00 0.00 O ATOM 0 H GLY A 44 14.591 17.648 -0.232 1.00 0.00 H new ATOM 0 HA2 GLY A 44 15.930 15.968 -0.888 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.891 15.275 0.721 1.00 0.00 H new ATOM 353 N GLU A 45 14.614 13.334 -0.250 1.00 0.00 N ATOM 354 CA GLU A 45 13.847 12.129 -0.622 1.00 0.00 C ATOM 355 C GLU A 45 13.606 11.201 0.574 1.00 0.00 C ATOM 356 O GLU A 45 13.328 10.026 0.387 1.00 0.00 O ATOM 357 CB GLU A 45 14.509 11.375 -1.797 1.00 0.00 C ATOM 358 CG GLU A 45 14.549 12.167 -3.104 1.00 0.00 C ATOM 359 CD GLU A 45 15.138 11.298 -4.233 1.00 0.00 C ATOM 360 OE1 GLU A 45 16.380 11.288 -4.407 1.00 0.00 O ATOM 361 OE2 GLU A 45 14.360 10.614 -4.941 1.00 0.00 O ATOM 0 H GLU A 45 15.442 13.108 0.301 1.00 0.00 H new ATOM 0 HA GLU A 45 12.868 12.472 -0.958 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.528 11.108 -1.515 1.00 0.00 H new ATOM 0 HB3 GLU A 45 13.970 10.443 -1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.544 12.492 -3.372 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.151 13.066 -2.975 1.00 0.00 H new ATOM 368 N MET A 46 13.751 11.701 1.807 1.00 0.00 N ATOM 369 CA MET A 46 13.694 10.922 3.059 1.00 0.00 C ATOM 370 C MET A 46 12.246 10.603 3.486 1.00 0.00 C ATOM 371 O MET A 46 11.790 10.937 4.581 1.00 0.00 O ATOM 372 CB MET A 46 14.601 11.608 4.083 1.00 0.00 C ATOM 373 CG MET A 46 14.682 10.979 5.485 1.00 0.00 C ATOM 374 SD MET A 46 14.977 9.190 5.554 1.00 0.00 S ATOM 375 CE MET A 46 14.967 8.953 7.352 1.00 0.00 C ATOM 0 H MET A 46 13.917 12.694 1.971 1.00 0.00 H new ATOM 0 HA MET A 46 14.095 9.917 2.932 1.00 0.00 H new ATOM 0 HB2 MET A 46 15.609 11.644 3.670 1.00 0.00 H new ATOM 0 HB3 MET A 46 14.265 12.639 4.194 1.00 0.00 H new ATOM 0 HG2 MET A 46 15.479 11.478 6.037 1.00 0.00 H new ATOM 0 HG3 MET A 46 13.750 11.192 6.009 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.135 7.901 7.581 1.00 0.00 H new ATOM 0 HE2 MET A 46 15.757 9.553 7.803 1.00 0.00 H new ATOM 0 HE3 MET A 46 14.002 9.262 7.754 1.00 0.00 H new ATOM 385 N PHE A 47 11.495 10.026 2.544 1.00 0.00 N ATOM 386 CA PHE A 47 10.044 9.788 2.609 1.00 0.00 C ATOM 387 C PHE A 47 9.525 8.878 1.474 1.00 0.00 C ATOM 388 O PHE A 47 10.249 8.537 0.541 1.00 0.00 O ATOM 389 CB PHE A 47 9.310 11.137 2.642 1.00 0.00 C ATOM 390 CG PHE A 47 9.823 12.182 1.670 1.00 0.00 C ATOM 391 CD1 PHE A 47 9.694 11.965 0.289 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.442 13.358 2.138 1.00 0.00 C ATOM 393 CE1 PHE A 47 10.117 12.947 -0.615 1.00 0.00 C ATOM 394 CE2 PHE A 47 10.890 14.328 1.226 1.00 0.00 C ATOM 395 CZ PHE A 47 10.696 14.134 -0.149 1.00 0.00 C ATOM 0 H PHE A 47 11.900 9.694 1.669 1.00 0.00 H new ATOM 0 HA PHE A 47 9.835 9.241 3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 47 8.254 10.962 2.436 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.375 11.542 3.652 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.269 11.042 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.572 13.514 3.199 1.00 0.00 H new ATOM 0 HE1 PHE A 47 9.996 12.788 -1.676 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.382 15.221 1.583 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.993 14.901 -0.849 1.00 0.00 H new ATOM 405 N THR A 48 8.263 8.451 1.578 1.00 0.00 N ATOM 406 CA THR A 48 7.593 7.421 0.754 1.00 0.00 C ATOM 407 C THR A 48 7.400 7.806 -0.723 1.00 0.00 C ATOM 408 O THR A 48 7.457 8.977 -1.104 1.00 0.00 O ATOM 409 CB THR A 48 6.217 7.060 1.385 1.00 0.00 C ATOM 410 OG1 THR A 48 6.176 7.400 2.757 1.00 0.00 O ATOM 411 CG2 THR A 48 5.893 5.566 1.305 1.00 0.00 C ATOM 0 H THR A 48 7.635 8.836 2.284 1.00 0.00 H new ATOM 0 HA THR A 48 8.263 6.561 0.751 1.00 0.00 H new ATOM 0 HB THR A 48 5.490 7.629 0.806 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.300 7.163 3.127 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.921 5.380 1.762 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.869 5.254 0.261 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.658 4.999 1.835 1.00 0.00 H new ATOM 419 N VAL A 49 7.080 6.802 -1.555 1.00 0.00 N ATOM 420 CA VAL A 49 6.823 6.918 -3.012 1.00 0.00 C ATOM 421 C VAL A 49 5.805 8.020 -3.334 1.00 0.00 C ATOM 422 O VAL A 49 6.027 8.856 -4.211 1.00 0.00 O ATOM 423 CB VAL A 49 6.304 5.573 -3.581 1.00 0.00 C ATOM 424 CG1 VAL A 49 6.144 5.613 -5.105 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.220 4.393 -3.226 1.00 0.00 C ATOM 0 H VAL A 49 6.988 5.842 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 49 7.773 7.180 -3.478 1.00 0.00 H new ATOM 0 HB VAL A 49 5.330 5.425 -3.115 1.00 0.00 H new ATOM 0 HG11 VAL A 49 5.778 4.649 -5.458 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.432 6.392 -5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.108 5.826 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.811 3.475 -3.648 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.215 4.569 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.285 4.296 -2.142 1.00 0.00 H new ATOM 435 N LYS A 50 4.712 8.073 -2.565 1.00 0.00 N ATOM 436 CA LYS A 50 3.661 9.088 -2.731 1.00 0.00 C ATOM 437 C LYS A 50 4.133 10.515 -2.444 1.00 0.00 C ATOM 438 O LYS A 50 3.644 11.450 -3.071 1.00 0.00 O ATOM 439 CB LYS A 50 2.404 8.707 -1.923 1.00 0.00 C ATOM 440 CG LYS A 50 2.657 8.607 -0.409 1.00 0.00 C ATOM 441 CD LYS A 50 1.378 8.276 0.370 1.00 0.00 C ATOM 442 CE LYS A 50 1.721 8.112 1.858 1.00 0.00 C ATOM 443 NZ LYS A 50 0.503 7.874 2.681 1.00 0.00 N ATOM 0 H LYS A 50 4.529 7.414 -1.809 1.00 0.00 H new ATOM 0 HA LYS A 50 3.394 9.094 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.626 9.448 -2.105 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.025 7.751 -2.284 1.00 0.00 H new ATOM 0 HG2 LYS A 50 3.406 7.839 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.067 9.550 -0.048 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.643 9.070 0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.930 7.360 -0.015 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.413 7.279 1.982 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.232 9.006 2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.774 7.768 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.146 8.681 2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.029 7.007 2.357 1.00 0.00 H new ATOM 457 N GLU A 51 5.108 10.680 -1.550 1.00 0.00 N ATOM 458 CA GLU A 51 5.701 11.981 -1.237 1.00 0.00 C ATOM 459 C GLU A 51 6.719 12.395 -2.310 1.00 0.00 C ATOM 460 O GLU A 51 6.581 13.487 -2.856 1.00 0.00 O ATOM 461 CB GLU A 51 6.305 11.970 0.178 1.00 0.00 C ATOM 462 CG GLU A 51 5.283 11.733 1.299 1.00 0.00 C ATOM 463 CD GLU A 51 4.209 12.838 1.360 1.00 0.00 C ATOM 464 OE1 GLU A 51 4.470 13.910 1.958 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.090 12.635 0.830 1.00 0.00 O ATOM 0 H GLU A 51 5.512 9.909 -1.018 1.00 0.00 H new ATOM 0 HA GLU A 51 4.916 12.737 -1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.069 11.194 0.228 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.806 12.922 0.354 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.799 10.768 1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 51 5.803 11.682 2.256 1.00 0.00 H new ATOM 472 N VAL A 52 7.665 11.527 -2.717 1.00 0.00 N ATOM 473 CA VAL A 52 8.587 11.858 -3.841 1.00 0.00 C ATOM 474 C VAL A 52 7.841 12.235 -5.116 1.00 0.00 C ATOM 475 O VAL A 52 8.170 13.233 -5.753 1.00 0.00 O ATOM 476 CB VAL A 52 9.591 10.747 -4.183 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.655 10.563 -3.102 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.010 9.363 -4.421 1.00 0.00 C ATOM 0 H VAL A 52 7.816 10.608 -2.300 1.00 0.00 H new ATOM 0 HA VAL A 52 9.145 12.716 -3.466 1.00 0.00 H new ATOM 0 HB VAL A 52 10.003 11.120 -5.121 1.00 0.00 H new ATOM 0 HG11 VAL A 52 11.338 9.766 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 52 11.213 11.491 -2.979 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.175 10.301 -2.159 1.00 0.00 H new ATOM 0 HG21 VAL A 52 9.815 8.666 -4.654 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.488 9.029 -3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.310 9.401 -5.256 1.00 0.00 H new ATOM 488 N MET A 53 6.811 11.471 -5.473 1.00 0.00 N ATOM 489 CA MET A 53 6.032 11.734 -6.692 1.00 0.00 C ATOM 490 C MET A 53 5.126 12.977 -6.583 1.00 0.00 C ATOM 491 O MET A 53 4.850 13.613 -7.598 1.00 0.00 O ATOM 492 CB MET A 53 5.303 10.471 -7.173 1.00 0.00 C ATOM 493 CG MET A 53 3.957 10.214 -6.494 1.00 0.00 C ATOM 494 SD MET A 53 3.198 8.619 -6.913 1.00 0.00 S ATOM 495 CE MET A 53 3.084 8.765 -8.722 1.00 0.00 C ATOM 0 H MET A 53 6.492 10.663 -4.938 1.00 0.00 H new ATOM 0 HA MET A 53 6.743 11.995 -7.476 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.144 10.547 -8.249 1.00 0.00 H new ATOM 0 HB3 MET A 53 5.949 9.609 -7.007 1.00 0.00 H new ATOM 0 HG2 MET A 53 4.093 10.265 -5.414 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.268 11.013 -6.767 1.00 0.00 H new ATOM 0 HE1 MET A 53 2.451 7.968 -9.112 1.00 0.00 H new ATOM 0 HE2 MET A 53 2.652 9.731 -8.983 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.080 8.684 -9.157 1.00 0.00 H new ATOM 505 N HIS A 54 4.726 13.374 -5.368 1.00 0.00 N ATOM 506 CA HIS A 54 4.047 14.649 -5.084 1.00 0.00 C ATOM 507 C HIS A 54 4.978 15.833 -5.403 1.00 0.00 C ATOM 508 O HIS A 54 4.665 16.655 -6.269 1.00 0.00 O ATOM 509 CB HIS A 54 3.558 14.647 -3.620 1.00 0.00 C ATOM 510 CG HIS A 54 3.603 15.989 -2.935 1.00 0.00 C ATOM 511 ND1 HIS A 54 2.872 17.121 -3.303 1.00 0.00 N ATOM 512 CD2 HIS A 54 4.487 16.327 -1.951 1.00 0.00 C ATOM 513 CE1 HIS A 54 3.342 18.117 -2.532 1.00 0.00 C ATOM 514 NE2 HIS A 54 4.301 17.667 -1.705 1.00 0.00 N ATOM 0 H HIS A 54 4.868 12.805 -4.534 1.00 0.00 H new ATOM 0 HA HIS A 54 3.172 14.764 -5.724 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.533 14.277 -3.595 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.165 13.944 -3.050 1.00 0.00 H new ATOM 0 HD2 HIS A 54 5.193 15.672 -1.462 1.00 0.00 H new ATOM 0 HE1 HIS A 54 2.996 19.139 -2.572 1.00 0.00 H new ATOM 0 HE2 HIS A 54 4.804 18.224 -1.014 1.00 0.00 H new ATOM 522 N TYR A 55 6.161 15.870 -4.778 1.00 0.00 N ATOM 523 CA TYR A 55 7.213 16.839 -5.074 1.00 0.00 C ATOM 524 C TYR A 55 7.625 16.842 -6.558 1.00 0.00 C ATOM 525 O TYR A 55 7.740 17.916 -7.144 1.00 0.00 O ATOM 526 CB TYR A 55 8.416 16.580 -4.162 1.00 0.00 C ATOM 527 CG TYR A 55 8.140 16.751 -2.678 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.784 18.012 -2.167 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.275 15.664 -1.798 1.00 0.00 C ATOM 530 CE1 TYR A 55 7.529 18.186 -0.794 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.002 15.822 -0.424 1.00 0.00 C ATOM 532 CZ TYR A 55 7.631 17.086 0.084 1.00 0.00 C ATOM 533 OH TYR A 55 7.392 17.261 1.414 1.00 0.00 O ATOM 0 H TYR A 55 6.415 15.214 -4.040 1.00 0.00 H new ATOM 0 HA TYR A 55 6.814 17.834 -4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.774 15.565 -4.336 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.222 17.256 -4.447 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.705 18.856 -2.836 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.590 14.703 -2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.256 19.159 -0.413 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.077 14.975 0.241 1.00 0.00 H new ATOM 0 HH TYR A 55 7.503 16.407 1.881 1.00 0.00 H new ATOM 543 N LEU A 56 7.772 15.685 -7.215 1.00 0.00 N ATOM 544 CA LEU A 56 8.051 15.630 -8.661 1.00 0.00 C ATOM 545 C LEU A 56 6.901 16.205 -9.508 1.00 0.00 C ATOM 546 O LEU A 56 7.171 16.921 -10.468 1.00 0.00 O ATOM 547 CB LEU A 56 8.418 14.195 -9.096 1.00 0.00 C ATOM 548 CG LEU A 56 9.933 13.963 -9.247 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.715 14.171 -7.949 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.191 12.533 -9.722 1.00 0.00 C ATOM 0 H LEU A 56 7.703 14.770 -6.769 1.00 0.00 H new ATOM 0 HA LEU A 56 8.913 16.271 -8.845 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.023 13.491 -8.364 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.929 13.976 -10.045 1.00 0.00 H new ATOM 0 HG LEU A 56 10.279 14.701 -9.971 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.775 13.991 -8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.575 15.194 -7.600 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.353 13.476 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.264 12.373 -9.828 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.789 11.829 -8.993 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.704 12.376 -10.685 1.00 0.00 H new ATOM 562 N GLY A 57 5.637 15.981 -9.139 1.00 0.00 N ATOM 563 CA GLY A 57 4.484 16.594 -9.810 1.00 0.00 C ATOM 564 C GLY A 57 4.530 18.128 -9.794 1.00 0.00 C ATOM 565 O GLY A 57 4.425 18.773 -10.843 1.00 0.00 O ATOM 0 H GLY A 57 5.382 15.368 -8.365 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.444 16.247 -10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.567 16.258 -9.326 1.00 0.00 H new ATOM 569 N GLN A 58 4.806 18.727 -8.627 1.00 0.00 N ATOM 570 CA GLN A 58 4.980 20.182 -8.518 1.00 0.00 C ATOM 571 C GLN A 58 6.292 20.678 -9.157 1.00 0.00 C ATOM 572 O GLN A 58 6.291 21.761 -9.738 1.00 0.00 O ATOM 573 CB GLN A 58 4.710 20.696 -7.092 1.00 0.00 C ATOM 574 CG GLN A 58 5.736 20.272 -6.033 1.00 0.00 C ATOM 575 CD GLN A 58 5.333 20.636 -4.598 1.00 0.00 C ATOM 576 OE1 GLN A 58 4.175 20.857 -4.265 1.00 0.00 O ATOM 577 NE2 GLN A 58 6.272 20.686 -3.677 1.00 0.00 N ATOM 0 H GLN A 58 4.914 18.226 -7.745 1.00 0.00 H new ATOM 0 HA GLN A 58 4.205 20.647 -9.126 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.670 21.785 -7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.726 20.348 -6.779 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.885 19.194 -6.096 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.694 20.740 -6.261 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.244 20.506 -3.929 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.028 20.905 -2.711 1.00 0.00 H new ATOM 586 N TYR A 59 7.379 19.889 -9.154 1.00 0.00 N ATOM 587 CA TYR A 59 8.590 20.198 -9.934 1.00 0.00 C ATOM 588 C TYR A 59 8.243 20.343 -11.418 1.00 0.00 C ATOM 589 O TYR A 59 8.517 21.388 -11.997 1.00 0.00 O ATOM 590 CB TYR A 59 9.677 19.124 -9.755 1.00 0.00 C ATOM 591 CG TYR A 59 11.004 19.413 -10.448 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.157 19.177 -11.832 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.112 19.856 -9.701 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.412 19.343 -12.453 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.368 20.010 -10.316 1.00 0.00 C ATOM 596 CZ TYR A 59 13.528 19.735 -11.686 1.00 0.00 C ATOM 597 OH TYR A 59 14.761 19.859 -12.242 1.00 0.00 O ATOM 0 H TYR A 59 7.444 19.025 -8.615 1.00 0.00 H new ATOM 0 HA TYR A 59 8.987 21.141 -9.559 1.00 0.00 H new ATOM 0 HB2 TYR A 59 9.864 18.995 -8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.291 18.175 -10.128 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.306 18.867 -12.420 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.997 20.079 -8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.518 19.170 -13.514 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.214 20.341 -9.733 1.00 0.00 H new ATOM 0 HH TYR A 59 14.848 19.229 -12.988 1.00 0.00 H new ATOM 607 N ILE A 60 7.582 19.346 -12.024 1.00 0.00 N ATOM 608 CA ILE A 60 7.163 19.383 -13.438 1.00 0.00 C ATOM 609 C ILE A 60 6.264 20.599 -13.692 1.00 0.00 C ATOM 610 O ILE A 60 6.449 21.302 -14.684 1.00 0.00 O ATOM 611 CB ILE A 60 6.430 18.080 -13.835 1.00 0.00 C ATOM 612 CG1 ILE A 60 7.310 16.817 -13.692 1.00 0.00 C ATOM 613 CG2 ILE A 60 5.928 18.169 -15.290 1.00 0.00 C ATOM 614 CD1 ILE A 60 6.452 15.564 -13.458 1.00 0.00 C ATOM 0 H ILE A 60 7.320 18.484 -11.546 1.00 0.00 H new ATOM 0 HA ILE A 60 8.057 19.469 -14.056 1.00 0.00 H new ATOM 0 HB ILE A 60 5.594 17.983 -13.142 1.00 0.00 H new ATOM 0 HG12 ILE A 60 7.911 16.686 -14.592 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.003 16.946 -12.861 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.414 17.245 -15.555 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.239 19.008 -15.386 1.00 0.00 H new ATOM 0 HG23 ILE A 60 6.776 18.317 -15.959 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.099 14.692 -13.361 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.870 15.687 -12.544 1.00 0.00 H new ATOM 0 HD13 ILE A 60 5.777 15.423 -14.302 1.00 0.00 H new ATOM 626 N MET A 61 5.330 20.890 -12.783 1.00 0.00 N ATOM 627 CA MET A 61 4.428 22.039 -12.908 1.00 0.00 C ATOM 628 C MET A 61 5.154 23.403 -12.827 1.00 0.00 C ATOM 629 O MET A 61 4.762 24.344 -13.519 1.00 0.00 O ATOM 630 CB MET A 61 3.310 21.884 -11.866 1.00 0.00 C ATOM 631 CG MET A 61 2.178 22.912 -12.013 1.00 0.00 C ATOM 632 SD MET A 61 1.402 23.049 -13.655 1.00 0.00 S ATOM 633 CE MET A 61 0.646 21.410 -13.837 1.00 0.00 C ATOM 0 H MET A 61 5.177 20.336 -11.940 1.00 0.00 H new ATOM 0 HA MET A 61 3.991 22.043 -13.907 1.00 0.00 H new ATOM 0 HB2 MET A 61 2.890 20.881 -11.944 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.741 21.972 -10.869 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.401 22.667 -11.289 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.571 23.891 -11.740 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.135 21.350 -14.798 1.00 0.00 H new ATOM 0 HE2 MET A 61 1.421 20.645 -13.789 1.00 0.00 H new ATOM 0 HE3 MET A 61 -0.073 21.249 -13.033 1.00 0.00 H new ATOM 643 N VAL A 62 6.247 23.513 -12.058 1.00 0.00 N ATOM 644 CA VAL A 62 7.100 24.720 -11.975 1.00 0.00 C ATOM 645 C VAL A 62 8.036 24.831 -13.185 1.00 0.00 C ATOM 646 O VAL A 62 8.055 25.863 -13.863 1.00 0.00 O ATOM 647 CB VAL A 62 7.863 24.741 -10.638 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.988 25.781 -10.566 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.901 25.029 -9.477 1.00 0.00 C ATOM 0 H VAL A 62 6.574 22.753 -11.462 1.00 0.00 H new ATOM 0 HA VAL A 62 6.460 25.602 -12.003 1.00 0.00 H new ATOM 0 HB VAL A 62 8.314 23.752 -10.562 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.472 25.727 -9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.721 25.578 -11.347 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.572 26.778 -10.709 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.456 25.040 -8.539 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.426 25.998 -9.630 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.137 24.253 -9.437 1.00 0.00 H new ATOM 659 N LYS A 63 8.763 23.748 -13.503 1.00 0.00 N ATOM 660 CA LYS A 63 9.671 23.646 -14.664 1.00 0.00 C ATOM 661 C LYS A 63 8.933 23.675 -16.011 1.00 0.00 C ATOM 662 O LYS A 63 9.558 23.937 -17.038 1.00 0.00 O ATOM 663 CB LYS A 63 10.531 22.363 -14.541 1.00 0.00 C ATOM 664 CG LYS A 63 12.041 22.637 -14.526 1.00 0.00 C ATOM 665 CD LYS A 63 12.492 23.229 -13.180 1.00 0.00 C ATOM 666 CE LYS A 63 13.960 23.688 -13.204 1.00 0.00 C ATOM 667 NZ LYS A 63 14.929 22.564 -13.352 1.00 0.00 N ATOM 0 H LYS A 63 8.737 22.894 -12.946 1.00 0.00 H new ATOM 0 HA LYS A 63 10.313 24.526 -14.650 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.256 21.837 -13.627 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.299 21.698 -15.373 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.582 21.710 -14.717 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.295 23.326 -15.331 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.854 24.075 -12.926 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.360 22.484 -12.396 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.100 24.390 -14.026 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.179 24.228 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 15.879 22.886 -13.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.641 21.774 -12.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.944 22.247 -14.342 1.00 0.00 H new ATOM 681 N GLN A 64 7.613 23.457 -15.990 1.00 0.00 N ATOM 682 CA GLN A 64 6.646 23.574 -17.091 1.00 0.00 C ATOM 683 C GLN A 64 7.100 22.904 -18.401 1.00 0.00 C ATOM 684 O GLN A 64 6.952 23.445 -19.498 1.00 0.00 O ATOM 685 CB GLN A 64 6.094 25.009 -17.187 1.00 0.00 C ATOM 686 CG GLN A 64 7.123 26.091 -17.545 1.00 0.00 C ATOM 687 CD GLN A 64 6.628 27.480 -17.154 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.108 28.244 -17.959 1.00 0.00 O ATOM 689 NE2 GLN A 64 6.764 27.855 -15.896 1.00 0.00 N ATOM 0 H GLN A 64 7.152 23.169 -15.127 1.00 0.00 H new ATOM 0 HA GLN A 64 5.776 22.964 -16.851 1.00 0.00 H new ATOM 0 HB2 GLN A 64 5.301 25.025 -17.934 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.637 25.269 -16.232 1.00 0.00 H new ATOM 0 HG2 GLN A 64 8.065 25.882 -17.037 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.325 26.063 -18.616 1.00 0.00 H new ATOM 0 HE21 GLN A 64 7.196 27.225 -15.220 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.437 28.775 -15.600 1.00 0.00 H new ATOM 698 N LEU A 65 7.660 21.694 -18.262 1.00 0.00 N ATOM 699 CA LEU A 65 8.226 20.898 -19.360 1.00 0.00 C ATOM 700 C LEU A 65 7.169 20.066 -20.125 1.00 0.00 C ATOM 701 O LEU A 65 7.515 19.264 -20.989 1.00 0.00 O ATOM 702 CB LEU A 65 9.332 19.976 -18.805 1.00 0.00 C ATOM 703 CG LEU A 65 10.591 20.659 -18.240 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.344 19.726 -17.291 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.539 21.101 -19.356 1.00 0.00 C ATOM 0 H LEU A 65 7.734 21.229 -17.357 1.00 0.00 H new ATOM 0 HA LEU A 65 8.641 21.599 -20.084 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.897 19.361 -18.017 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.642 19.300 -19.602 1.00 0.00 H new ATOM 0 HG LEU A 65 10.252 21.539 -17.693 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.229 20.234 -16.907 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.694 19.450 -16.460 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.647 18.827 -17.828 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.416 21.579 -18.920 1.00 0.00 H new ATOM 0 HD22 LEU A 65 11.850 20.231 -19.935 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.028 21.808 -20.009 1.00 0.00 H new ATOM 717 N TYR A 66 5.884 20.193 -19.790 1.00 0.00 N ATOM 718 CA TYR A 66 4.791 19.459 -20.437 1.00 0.00 C ATOM 719 C TYR A 66 4.378 20.050 -21.795 1.00 0.00 C ATOM 720 O TYR A 66 4.714 21.191 -22.131 1.00 0.00 O ATOM 721 CB TYR A 66 3.608 19.347 -19.468 1.00 0.00 C ATOM 722 CG TYR A 66 3.179 20.669 -18.866 1.00 0.00 C ATOM 723 CD1 TYR A 66 2.455 21.598 -19.635 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.556 20.984 -17.549 1.00 0.00 C ATOM 725 CE1 TYR A 66 2.097 22.843 -19.086 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.191 22.225 -16.990 1.00 0.00 C ATOM 727 CZ TYR A 66 2.460 23.160 -17.759 1.00 0.00 C ATOM 728 OH TYR A 66 2.110 24.369 -17.237 1.00 0.00 O ATOM 0 H TYR A 66 5.567 20.819 -19.050 1.00 0.00 H new ATOM 0 HA TYR A 66 5.155 18.458 -20.671 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.761 18.907 -19.994 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.874 18.662 -18.663 1.00 0.00 H new ATOM 0 HD1 TYR A 66 2.173 21.355 -20.649 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.125 20.275 -16.966 1.00 0.00 H new ATOM 0 HE1 TYR A 66 1.544 23.556 -19.680 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.470 22.462 -15.974 1.00 0.00 H new ATOM 0 HH TYR A 66 2.433 24.432 -16.314 1.00 0.00 H new ATOM 738 N ASP A 67 3.628 19.278 -22.586 1.00 0.00 N ATOM 739 CA ASP A 67 3.111 19.736 -23.880 1.00 0.00 C ATOM 740 C ASP A 67 1.961 20.750 -23.716 1.00 0.00 C ATOM 741 O ASP A 67 1.063 20.576 -22.887 1.00 0.00 O ATOM 742 CB ASP A 67 2.684 18.541 -24.749 1.00 0.00 C ATOM 743 CG ASP A 67 2.652 18.905 -26.244 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.916 19.851 -26.615 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.390 18.273 -27.036 1.00 0.00 O ATOM 0 H ASP A 67 3.363 18.322 -22.350 1.00 0.00 H new ATOM 0 HA ASP A 67 3.921 20.257 -24.391 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.374 17.712 -24.591 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.697 18.199 -24.437 1.00 0.00 H new ATOM 750 N GLN A 68 1.960 21.791 -24.554 1.00 0.00 N ATOM 751 CA GLN A 68 0.879 22.780 -24.682 1.00 0.00 C ATOM 752 C GLN A 68 -0.498 22.134 -24.939 1.00 0.00 C ATOM 753 O GLN A 68 -1.509 22.575 -24.388 1.00 0.00 O ATOM 754 CB GLN A 68 1.163 23.750 -25.854 1.00 0.00 C ATOM 755 CG GLN A 68 2.630 24.169 -26.065 1.00 0.00 C ATOM 756 CD GLN A 68 3.308 23.521 -27.283 1.00 0.00 C ATOM 757 OE1 GLN A 68 3.993 24.188 -28.049 1.00 0.00 O ATOM 758 NE2 GLN A 68 3.192 22.229 -27.540 1.00 0.00 N ATOM 0 H GLN A 68 2.739 21.977 -25.186 1.00 0.00 H new ATOM 0 HA GLN A 68 0.850 23.309 -23.729 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.806 23.286 -26.774 1.00 0.00 H new ATOM 0 HB3 GLN A 68 0.570 24.652 -25.701 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.673 25.253 -26.175 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.199 23.916 -25.171 1.00 0.00 H new ATOM 0 HE21 GLN A 68 2.631 21.636 -26.928 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.663 21.826 -28.350 1.00 0.00 H new ATOM 767 N GLN A 69 -0.534 21.093 -25.780 1.00 0.00 N ATOM 768 CA GLN A 69 -1.760 20.443 -26.253 1.00 0.00 C ATOM 769 C GLN A 69 -2.221 19.297 -25.339 1.00 0.00 C ATOM 770 O GLN A 69 -3.394 18.917 -25.364 1.00 0.00 O ATOM 771 CB GLN A 69 -1.556 19.948 -27.698 1.00 0.00 C ATOM 772 CG GLN A 69 -0.983 20.990 -28.680 1.00 0.00 C ATOM 773 CD GLN A 69 -1.765 22.305 -28.764 1.00 0.00 C ATOM 774 OE1 GLN A 69 -2.958 22.394 -28.497 1.00 0.00 O ATOM 775 NE2 GLN A 69 -1.121 23.387 -29.155 1.00 0.00 N ATOM 0 H GLN A 69 0.312 20.669 -26.160 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.557 21.186 -26.229 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.888 19.087 -27.678 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.514 19.599 -28.083 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.043 21.214 -28.389 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.943 20.545 -29.674 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.128 23.335 -29.382 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.616 24.276 -29.230 1.00 0.00 H new ATOM 784 N GLU A 70 -1.314 18.754 -24.522 1.00 0.00 N ATOM 785 CA GLU A 70 -1.587 17.651 -23.595 1.00 0.00 C ATOM 786 C GLU A 70 -0.654 17.695 -22.376 1.00 0.00 C ATOM 787 O GLU A 70 0.456 17.160 -22.379 1.00 0.00 O ATOM 788 CB GLU A 70 -1.550 16.283 -24.310 1.00 0.00 C ATOM 789 CG GLU A 70 -0.467 16.113 -25.391 1.00 0.00 C ATOM 790 CD GLU A 70 -0.570 14.743 -26.095 1.00 0.00 C ATOM 791 OE1 GLU A 70 -1.631 14.434 -26.694 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.426 13.978 -26.109 1.00 0.00 O ATOM 0 H GLU A 70 -0.347 19.076 -24.486 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.602 17.782 -23.221 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.409 15.507 -23.558 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.523 16.109 -24.769 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.562 16.909 -26.129 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.519 16.215 -24.937 1.00 0.00 H new ATOM 799 N GLN A 71 -1.150 18.284 -21.282 1.00 0.00 N ATOM 800 CA GLN A 71 -0.441 18.357 -19.995 1.00 0.00 C ATOM 801 C GLN A 71 -0.143 16.968 -19.397 1.00 0.00 C ATOM 802 O GLN A 71 0.688 16.845 -18.495 1.00 0.00 O ATOM 803 CB GLN A 71 -1.264 19.185 -18.995 1.00 0.00 C ATOM 804 CG GLN A 71 -1.203 20.706 -19.229 1.00 0.00 C ATOM 805 CD GLN A 71 -1.997 21.211 -20.438 1.00 0.00 C ATOM 806 OE1 GLN A 71 -3.183 21.503 -20.353 1.00 0.00 O ATOM 807 NE2 GLN A 71 -1.398 21.340 -21.604 1.00 0.00 N ATOM 0 H GLN A 71 -2.067 18.730 -21.263 1.00 0.00 H new ATOM 0 HA GLN A 71 0.519 18.837 -20.186 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.304 18.863 -19.044 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.911 18.970 -17.986 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -1.572 21.210 -18.336 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.160 20.997 -19.352 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.411 21.103 -21.699 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.922 21.677 -22.412 1.00 0.00 H new ATOM 816 N HIS A 72 -0.793 15.916 -19.914 1.00 0.00 N ATOM 817 CA HIS A 72 -0.526 14.527 -19.543 1.00 0.00 C ATOM 818 C HIS A 72 0.877 14.045 -19.979 1.00 0.00 C ATOM 819 O HIS A 72 1.396 13.088 -19.398 1.00 0.00 O ATOM 820 CB HIS A 72 -1.669 13.624 -20.065 1.00 0.00 C ATOM 821 CG HIS A 72 -1.308 12.727 -21.229 1.00 0.00 C ATOM 822 ND1 HIS A 72 -0.809 13.162 -22.457 1.00 0.00 N ATOM 823 CD2 HIS A 72 -1.357 11.362 -21.235 1.00 0.00 C ATOM 824 CE1 HIS A 72 -0.541 12.054 -23.166 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.871 10.959 -22.460 1.00 0.00 N ATOM 0 H HIS A 72 -1.530 16.012 -20.613 1.00 0.00 H new ATOM 0 HA HIS A 72 -0.509 14.459 -18.455 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.020 13.000 -19.243 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.503 14.259 -20.363 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -1.708 10.724 -20.437 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.121 12.044 -24.161 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.778 9.994 -22.777 1.00 0.00 H new ATOM 833 N MET A 73 1.491 14.711 -20.969 1.00 0.00 N ATOM 834 CA MET A 73 2.792 14.390 -21.565 1.00 0.00 C ATOM 835 C MET A 73 3.875 15.367 -21.082 1.00 0.00 C ATOM 836 O MET A 73 3.652 16.578 -21.060 1.00 0.00 O ATOM 837 CB MET A 73 2.661 14.428 -23.098 1.00 0.00 C ATOM 838 CG MET A 73 3.962 14.075 -23.824 1.00 0.00 C ATOM 839 SD MET A 73 4.594 12.412 -23.472 1.00 0.00 S ATOM 840 CE MET A 73 6.197 12.537 -24.301 1.00 0.00 C ATOM 0 H MET A 73 1.067 15.534 -21.397 1.00 0.00 H new ATOM 0 HA MET A 73 3.096 13.391 -21.252 1.00 0.00 H new ATOM 0 HB2 MET A 73 1.880 13.733 -23.407 1.00 0.00 H new ATOM 0 HB3 MET A 73 2.340 15.424 -23.404 1.00 0.00 H new ATOM 0 HG2 MET A 73 3.801 14.169 -24.898 1.00 0.00 H new ATOM 0 HG3 MET A 73 4.725 14.805 -23.552 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.745 11.603 -24.176 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.043 12.728 -25.363 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.770 13.355 -23.864 1.00 0.00 H new ATOM 850 N VAL A 74 5.058 14.855 -20.728 1.00 0.00 N ATOM 851 CA VAL A 74 6.147 15.589 -20.056 1.00 0.00 C ATOM 852 C VAL A 74 7.482 15.365 -20.780 1.00 0.00 C ATOM 853 O VAL A 74 7.872 14.227 -21.043 1.00 0.00 O ATOM 854 CB VAL A 74 6.274 15.138 -18.584 1.00 0.00 C ATOM 855 CG1 VAL A 74 7.321 15.971 -17.836 1.00 0.00 C ATOM 856 CG2 VAL A 74 4.949 15.275 -17.824 1.00 0.00 C ATOM 0 H VAL A 74 5.297 13.880 -20.907 1.00 0.00 H new ATOM 0 HA VAL A 74 5.904 16.651 -20.085 1.00 0.00 H new ATOM 0 HB VAL A 74 6.572 14.090 -18.619 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.387 15.630 -16.803 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.291 15.855 -18.319 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.030 17.021 -17.853 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.085 14.947 -16.794 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.630 16.317 -17.834 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.189 14.658 -18.304 1.00 0.00 H new ATOM 866 N TYR A 75 8.215 16.442 -21.064 1.00 0.00 N ATOM 867 CA TYR A 75 9.598 16.423 -21.557 1.00 0.00 C ATOM 868 C TYR A 75 10.605 16.677 -20.414 1.00 0.00 C ATOM 869 O TYR A 75 10.223 17.017 -19.297 1.00 0.00 O ATOM 870 CB TYR A 75 9.736 17.432 -22.708 1.00 0.00 C ATOM 871 CG TYR A 75 8.780 17.103 -23.836 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.966 15.902 -24.542 1.00 0.00 C ATOM 873 CD2 TYR A 75 7.652 17.907 -24.095 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.007 15.477 -25.473 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.702 17.498 -25.052 1.00 0.00 C ATOM 876 CZ TYR A 75 6.870 16.274 -25.738 1.00 0.00 C ATOM 877 OH TYR A 75 5.945 15.856 -26.647 1.00 0.00 O ATOM 0 H TYR A 75 7.851 17.388 -20.954 1.00 0.00 H new ATOM 0 HA TYR A 75 9.836 15.433 -21.945 1.00 0.00 H new ATOM 0 HB2 TYR A 75 9.537 18.438 -22.340 1.00 0.00 H new ATOM 0 HB3 TYR A 75 10.760 17.426 -23.081 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.849 15.305 -24.367 1.00 0.00 H new ATOM 0 HD2 TYR A 75 7.516 18.836 -23.561 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.138 14.537 -25.989 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.845 18.121 -25.261 1.00 0.00 H new ATOM 0 HH TYR A 75 5.226 16.519 -26.710 1.00 0.00 H new ATOM 887 N CYS A 76 11.901 16.498 -20.674 1.00 0.00 N ATOM 888 CA CYS A 76 12.992 16.710 -19.709 1.00 0.00 C ATOM 889 C CYS A 76 14.355 16.980 -20.374 1.00 0.00 C ATOM 890 O CYS A 76 15.403 16.697 -19.788 1.00 0.00 O ATOM 891 CB CYS A 76 13.043 15.505 -18.753 1.00 0.00 C ATOM 892 SG CYS A 76 12.260 15.927 -17.175 1.00 0.00 S ATOM 0 H CYS A 76 12.235 16.192 -21.588 1.00 0.00 H new ATOM 0 HA CYS A 76 12.778 17.618 -19.146 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.535 14.652 -19.203 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.078 15.207 -18.586 1.00 0.00 H new ATOM 0 HG CYS A 76 11.132 16.534 -17.399 1.00 0.00 H new ATOM 898 N GLY A 77 14.363 17.487 -21.610 1.00 0.00 N ATOM 899 CA GLY A 77 15.585 17.609 -22.406 1.00 0.00 C ATOM 900 C GLY A 77 16.637 18.503 -21.739 1.00 0.00 C ATOM 901 O GLY A 77 16.428 19.708 -21.572 1.00 0.00 O ATOM 0 H GLY A 77 13.525 17.823 -22.085 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.008 16.618 -22.570 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.337 18.016 -23.386 1.00 0.00 H new ATOM 905 N GLY A 78 17.757 17.899 -21.338 1.00 0.00 N ATOM 906 CA GLY A 78 18.853 18.550 -20.619 1.00 0.00 C ATOM 907 C GLY A 78 18.559 18.945 -19.161 1.00 0.00 C ATOM 908 O GLY A 78 19.343 19.711 -18.595 1.00 0.00 O ATOM 0 H GLY A 78 17.932 16.909 -21.511 1.00 0.00 H new ATOM 0 HA2 GLY A 78 19.715 17.882 -20.628 1.00 0.00 H new ATOM 0 HA3 GLY A 78 19.139 19.447 -21.168 1.00 0.00 H new ATOM 912 N ASP A 79 17.470 18.475 -18.531 1.00 0.00 N ATOM 913 CA ASP A 79 17.136 18.815 -17.150 1.00 0.00 C ATOM 914 C ASP A 79 17.718 17.782 -16.166 1.00 0.00 C ATOM 915 O ASP A 79 17.814 16.578 -16.449 1.00 0.00 O ATOM 916 CB ASP A 79 15.614 18.997 -17.007 1.00 0.00 C ATOM 917 CG ASP A 79 15.259 19.708 -15.694 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.196 20.959 -15.656 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.094 19.010 -14.672 1.00 0.00 O ATOM 0 H ASP A 79 16.798 17.847 -18.972 1.00 0.00 H new ATOM 0 HA ASP A 79 17.600 19.767 -16.891 1.00 0.00 H new ATOM 0 HB2 ASP A 79 15.234 19.574 -17.850 1.00 0.00 H new ATOM 0 HB3 ASP A 79 15.124 18.024 -17.040 1.00 0.00 H new ATOM 924 N LEU A 80 18.068 18.251 -14.967 1.00 0.00 N ATOM 925 CA LEU A 80 18.532 17.401 -13.871 1.00 0.00 C ATOM 926 C LEU A 80 17.501 16.317 -13.496 1.00 0.00 C ATOM 927 O LEU A 80 17.886 15.240 -13.051 1.00 0.00 O ATOM 928 CB LEU A 80 18.985 18.279 -12.685 1.00 0.00 C ATOM 929 CG LEU A 80 20.457 18.040 -12.285 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.437 18.463 -13.385 1.00 0.00 C ATOM 931 CD2 LEU A 80 20.813 18.851 -11.037 1.00 0.00 C ATOM 0 H LEU A 80 18.037 19.242 -14.728 1.00 0.00 H new ATOM 0 HA LEU A 80 19.405 16.837 -14.201 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.851 19.329 -12.945 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.344 18.079 -11.826 1.00 0.00 H new ATOM 0 HG LEU A 80 20.548 16.969 -12.105 1.00 0.00 H new ATOM 0 HD11 LEU A 80 22.458 18.275 -13.054 1.00 0.00 H new ATOM 0 HD12 LEU A 80 21.237 17.890 -14.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.313 19.526 -13.593 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.854 18.670 -10.770 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.670 19.912 -11.240 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.169 18.549 -10.211 1.00 0.00 H new ATOM 943 N LEU A 81 16.204 16.560 -13.717 1.00 0.00 N ATOM 944 CA LEU A 81 15.154 15.544 -13.589 1.00 0.00 C ATOM 945 C LEU A 81 15.281 14.428 -14.641 1.00 0.00 C ATOM 946 O LEU A 81 15.127 13.260 -14.297 1.00 0.00 O ATOM 947 CB LEU A 81 13.775 16.223 -13.671 1.00 0.00 C ATOM 948 CG LEU A 81 12.586 15.264 -13.441 1.00 0.00 C ATOM 949 CD1 LEU A 81 12.597 14.654 -12.037 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.248 15.986 -13.591 1.00 0.00 C ATOM 0 H LEU A 81 15.851 17.476 -13.992 1.00 0.00 H new ATOM 0 HA LEU A 81 15.269 15.062 -12.618 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.731 17.023 -12.932 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.669 16.688 -14.651 1.00 0.00 H new ATOM 0 HG LEU A 81 12.697 14.483 -14.194 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.742 13.987 -11.923 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.519 14.090 -11.892 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.538 15.450 -11.294 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.434 15.281 -13.423 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.186 16.793 -12.861 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.168 16.399 -14.596 1.00 0.00 H new ATOM 962 N GLY A 82 15.609 14.752 -15.897 1.00 0.00 N ATOM 963 CA GLY A 82 15.896 13.754 -16.938 1.00 0.00 C ATOM 964 C GLY A 82 17.166 12.958 -16.643 1.00 0.00 C ATOM 965 O GLY A 82 17.183 11.743 -16.833 1.00 0.00 O ATOM 0 H GLY A 82 15.684 15.716 -16.223 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.052 13.069 -17.024 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.999 14.255 -17.900 1.00 0.00 H new ATOM 969 N GLU A 83 18.198 13.597 -16.084 1.00 0.00 N ATOM 970 CA GLU A 83 19.387 12.921 -15.582 1.00 0.00 C ATOM 971 C GLU A 83 19.051 11.988 -14.392 1.00 0.00 C ATOM 972 O GLU A 83 19.534 10.854 -14.339 1.00 0.00 O ATOM 973 CB GLU A 83 20.355 14.057 -15.233 1.00 0.00 C ATOM 974 CG GLU A 83 21.592 13.663 -14.451 1.00 0.00 C ATOM 975 CD GLU A 83 22.652 12.966 -15.327 1.00 0.00 C ATOM 976 OE1 GLU A 83 22.534 11.745 -15.590 1.00 0.00 O ATOM 977 OE2 GLU A 83 23.620 13.636 -15.761 1.00 0.00 O ATOM 0 H GLU A 83 18.227 14.610 -15.968 1.00 0.00 H new ATOM 0 HA GLU A 83 19.836 12.246 -16.311 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.673 14.534 -16.160 1.00 0.00 H new ATOM 0 HB3 GLU A 83 19.811 14.807 -14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 83 22.029 14.553 -13.998 1.00 0.00 H new ATOM 0 HG3 GLU A 83 21.305 12.998 -13.636 1.00 0.00 H new ATOM 984 N LEU A 84 18.171 12.416 -13.475 1.00 0.00 N ATOM 985 CA LEU A 84 17.716 11.625 -12.323 1.00 0.00 C ATOM 986 C LEU A 84 16.888 10.391 -12.740 1.00 0.00 C ATOM 987 O LEU A 84 17.109 9.292 -12.227 1.00 0.00 O ATOM 988 CB LEU A 84 16.918 12.552 -11.380 1.00 0.00 C ATOM 989 CG LEU A 84 16.324 11.879 -10.127 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.409 11.367 -9.182 1.00 0.00 C ATOM 991 CD2 LEU A 84 15.467 12.884 -9.355 1.00 0.00 C ATOM 0 H LEU A 84 17.747 13.343 -13.515 1.00 0.00 H new ATOM 0 HA LEU A 84 18.588 11.228 -11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.572 13.363 -11.059 1.00 0.00 H new ATOM 0 HB3 LEU A 84 16.104 13.004 -11.947 1.00 0.00 H new ATOM 0 HG LEU A 84 15.728 11.035 -10.473 1.00 0.00 H new ATOM 0 HD11 LEU A 84 16.944 10.901 -8.313 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.027 10.634 -9.701 1.00 0.00 H new ATOM 0 HD13 LEU A 84 18.031 12.201 -8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 84 15.050 12.403 -8.470 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.083 13.730 -9.051 1.00 0.00 H new ATOM 0 HD23 LEU A 84 14.656 13.236 -9.993 1.00 0.00 H new ATOM 1003 N LEU A 85 15.951 10.565 -13.678 1.00 0.00 N ATOM 1004 CA LEU A 85 15.071 9.509 -14.202 1.00 0.00 C ATOM 1005 C LEU A 85 15.753 8.605 -15.247 1.00 0.00 C ATOM 1006 O LEU A 85 15.296 7.485 -15.477 1.00 0.00 O ATOM 1007 CB LEU A 85 13.803 10.171 -14.790 1.00 0.00 C ATOM 1008 CG LEU A 85 12.620 10.247 -13.804 1.00 0.00 C ATOM 1009 CD1 LEU A 85 12.953 10.977 -12.504 1.00 0.00 C ATOM 1010 CD2 LEU A 85 11.447 10.969 -14.465 1.00 0.00 C ATOM 0 H LEU A 85 15.777 11.473 -14.109 1.00 0.00 H new ATOM 0 HA LEU A 85 14.811 8.850 -13.374 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.052 11.179 -15.121 1.00 0.00 H new ATOM 0 HB3 LEU A 85 13.491 9.614 -15.673 1.00 0.00 H new ATOM 0 HG LEU A 85 12.371 9.216 -13.551 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.074 10.992 -11.859 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.767 10.461 -11.995 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.255 12.000 -12.728 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.612 11.022 -13.766 1.00 0.00 H new ATOM 0 HD22 LEU A 85 11.751 11.978 -14.744 1.00 0.00 H new ATOM 0 HD23 LEU A 85 11.140 10.423 -15.357 1.00 0.00 H new ATOM 1022 N GLY A 86 16.809 9.088 -15.910 1.00 0.00 N ATOM 1023 CA GLY A 86 17.446 8.417 -17.050 1.00 0.00 C ATOM 1024 C GLY A 86 16.659 8.537 -18.367 1.00 0.00 C ATOM 1025 O GLY A 86 17.030 7.904 -19.359 1.00 0.00 O ATOM 0 H GLY A 86 17.254 9.973 -15.665 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.442 8.836 -17.195 1.00 0.00 H new ATOM 0 HA3 GLY A 86 17.575 7.361 -16.811 1.00 0.00 H new ATOM 1029 N ARG A 87 15.579 9.337 -18.385 1.00 0.00 N ATOM 1030 CA ARG A 87 14.704 9.596 -19.541 1.00 0.00 C ATOM 1031 C ARG A 87 14.341 11.070 -19.680 1.00 0.00 C ATOM 1032 O ARG A 87 13.985 11.723 -18.705 1.00 0.00 O ATOM 1033 CB ARG A 87 13.425 8.735 -19.451 1.00 0.00 C ATOM 1034 CG ARG A 87 13.637 7.313 -19.995 1.00 0.00 C ATOM 1035 CD ARG A 87 12.375 6.436 -19.939 1.00 0.00 C ATOM 1036 NE ARG A 87 11.202 7.064 -20.584 1.00 0.00 N ATOM 1037 CZ ARG A 87 9.981 6.567 -20.671 1.00 0.00 C ATOM 1038 NH1 ARG A 87 9.646 5.377 -20.270 1.00 0.00 N ATOM 1039 NH2 ARG A 87 9.020 7.274 -21.168 1.00 0.00 N ATOM 0 H ARG A 87 15.278 9.845 -17.553 1.00 0.00 H new ATOM 0 HA ARG A 87 15.265 9.319 -20.434 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.100 8.679 -18.412 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.624 9.219 -20.010 1.00 0.00 H new ATOM 0 HG2 ARG A 87 13.980 7.376 -21.028 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.430 6.830 -19.425 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.581 5.482 -20.424 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.137 6.219 -18.898 1.00 0.00 H new ATOM 0 HE ARG A 87 11.352 7.980 -21.007 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.347 4.762 -19.857 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.682 5.058 -20.368 1.00 0.00 H new ATOM 0 HH21 ARG A 87 9.202 8.222 -21.496 1.00 0.00 H new ATOM 0 HH22 ARG A 87 8.080 6.883 -21.232 1.00 0.00 H new ATOM 1053 N GLN A 88 14.365 11.564 -20.921 1.00 0.00 N ATOM 1054 CA GLN A 88 14.058 12.961 -21.271 1.00 0.00 C ATOM 1055 C GLN A 88 12.619 13.162 -21.781 1.00 0.00 C ATOM 1056 O GLN A 88 12.266 14.252 -22.228 1.00 0.00 O ATOM 1057 CB GLN A 88 15.138 13.525 -22.206 1.00 0.00 C ATOM 1058 CG GLN A 88 16.514 13.488 -21.520 1.00 0.00 C ATOM 1059 CD GLN A 88 17.628 14.048 -22.403 1.00 0.00 C ATOM 1060 OE1 GLN A 88 18.099 15.162 -22.221 1.00 0.00 O ATOM 1061 NE2 GLN A 88 18.092 13.312 -23.392 1.00 0.00 N ATOM 0 H GLN A 88 14.604 10.993 -21.732 1.00 0.00 H new ATOM 0 HA GLN A 88 14.088 13.550 -20.354 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.169 12.945 -23.128 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.890 14.550 -22.482 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.469 14.060 -20.593 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.753 12.460 -21.249 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.710 12.381 -23.557 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.833 13.673 -23.992 1.00 0.00 H new ATOM 1070 N SER A 89 11.779 12.129 -21.699 1.00 0.00 N ATOM 1071 CA SER A 89 10.327 12.216 -21.914 1.00 0.00 C ATOM 1072 C SER A 89 9.571 11.068 -21.230 1.00 0.00 C ATOM 1073 O SER A 89 10.040 9.925 -21.194 1.00 0.00 O ATOM 1074 CB SER A 89 9.972 12.302 -23.404 1.00 0.00 C ATOM 1075 OG SER A 89 10.364 11.133 -24.112 1.00 0.00 O ATOM 0 H SER A 89 12.093 11.185 -21.476 1.00 0.00 H new ATOM 0 HA SER A 89 10.001 13.144 -21.445 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.897 12.449 -23.513 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.459 13.173 -23.843 1.00 0.00 H new ATOM 0 HG SER A 89 10.120 11.225 -25.057 1.00 0.00 H new ATOM 1081 N PHE A 90 8.408 11.376 -20.654 1.00 0.00 N ATOM 1082 CA PHE A 90 7.505 10.449 -19.956 1.00 0.00 C ATOM 1083 C PHE A 90 6.080 11.035 -19.883 1.00 0.00 C ATOM 1084 O PHE A 90 5.841 12.157 -20.325 1.00 0.00 O ATOM 1085 CB PHE A 90 8.070 10.124 -18.558 1.00 0.00 C ATOM 1086 CG PHE A 90 8.225 11.293 -17.601 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.427 12.028 -17.572 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.193 11.610 -16.697 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.595 13.071 -16.645 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.362 12.653 -15.769 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.565 13.380 -15.740 1.00 0.00 C ATOM 0 H PHE A 90 8.048 12.330 -20.660 1.00 0.00 H new ATOM 0 HA PHE A 90 7.439 9.516 -20.515 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.420 9.385 -18.091 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.046 9.655 -18.685 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.221 11.789 -18.264 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.269 11.051 -16.716 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.516 13.635 -16.628 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.568 12.896 -15.079 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.698 14.176 -15.022 1.00 0.00 H new ATOM 1101 N SER A 91 5.111 10.293 -19.345 1.00 0.00 N ATOM 1102 CA SER A 91 3.719 10.752 -19.225 1.00 0.00 C ATOM 1103 C SER A 91 3.058 10.272 -17.932 1.00 0.00 C ATOM 1104 O SER A 91 3.611 9.448 -17.203 1.00 0.00 O ATOM 1105 CB SER A 91 2.919 10.281 -20.444 1.00 0.00 C ATOM 1106 OG SER A 91 2.655 8.893 -20.338 1.00 0.00 O ATOM 0 H SER A 91 5.266 9.354 -18.978 1.00 0.00 H new ATOM 0 HA SER A 91 3.728 11.841 -19.188 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.982 10.834 -20.512 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.477 10.486 -21.358 1.00 0.00 H new ATOM 0 HG SER A 91 2.438 8.533 -21.223 1.00 0.00 H new ATOM 1112 N VAL A 92 1.839 10.745 -17.657 1.00 0.00 N ATOM 1113 CA VAL A 92 1.029 10.249 -16.530 1.00 0.00 C ATOM 1114 C VAL A 92 0.581 8.782 -16.706 1.00 0.00 C ATOM 1115 O VAL A 92 0.299 8.113 -15.710 1.00 0.00 O ATOM 1116 CB VAL A 92 -0.147 11.208 -16.259 1.00 0.00 C ATOM 1117 CG1 VAL A 92 -1.254 11.105 -17.310 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.749 11.002 -14.870 1.00 0.00 C ATOM 0 H VAL A 92 1.384 11.477 -18.202 1.00 0.00 H new ATOM 0 HA VAL A 92 1.664 10.238 -15.644 1.00 0.00 H new ATOM 0 HB VAL A 92 0.283 12.208 -16.315 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -2.054 11.804 -17.065 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.847 11.348 -18.292 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.650 10.090 -17.323 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.574 11.699 -14.724 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.118 9.980 -14.781 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.014 11.179 -14.113 1.00 0.00 H new ATOM 1128 N LYS A 93 0.565 8.250 -17.945 1.00 0.00 N ATOM 1129 CA LYS A 93 0.297 6.821 -18.229 1.00 0.00 C ATOM 1130 C LYS A 93 1.563 5.957 -18.368 1.00 0.00 C ATOM 1131 O LYS A 93 1.480 4.735 -18.247 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.687 6.661 -19.403 1.00 0.00 C ATOM 1133 CG LYS A 93 -0.094 6.931 -20.796 1.00 0.00 C ATOM 1134 CD LYS A 93 -1.143 6.656 -21.888 1.00 0.00 C ATOM 1135 CE LYS A 93 -0.574 6.767 -23.313 1.00 0.00 C ATOM 1136 NZ LYS A 93 0.261 5.590 -23.691 1.00 0.00 N ATOM 0 H LYS A 93 0.739 8.802 -18.785 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.192 6.419 -17.342 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -1.086 5.647 -19.386 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.528 7.337 -19.246 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.244 7.965 -20.860 1.00 0.00 H new ATOM 0 HG3 LYS A 93 0.780 6.299 -20.955 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -1.555 5.657 -21.744 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -1.968 7.360 -21.777 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.396 6.867 -24.022 1.00 0.00 H new ATOM 0 HE3 LYS A 93 0.026 7.674 -23.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 0.619 5.715 -24.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.062 5.507 -23.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -0.316 4.726 -23.644 1.00 0.00 H new ATOM 1150 N ASP A 94 2.728 6.581 -18.558 1.00 0.00 N ATOM 1151 CA ASP A 94 4.057 5.957 -18.505 1.00 0.00 C ATOM 1152 C ASP A 94 4.997 6.672 -17.498 1.00 0.00 C ATOM 1153 O ASP A 94 6.010 7.254 -17.899 1.00 0.00 O ATOM 1154 CB ASP A 94 4.639 5.875 -19.929 1.00 0.00 C ATOM 1155 CG ASP A 94 6.007 5.166 -19.974 1.00 0.00 C ATOM 1156 OD1 ASP A 94 6.228 4.203 -19.202 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.870 5.564 -20.794 1.00 0.00 O ATOM 0 H ASP A 94 2.775 7.579 -18.762 1.00 0.00 H new ATOM 0 HA ASP A 94 3.961 4.940 -18.124 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.938 5.344 -20.573 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.743 6.882 -20.333 1.00 0.00 H new ATOM 1162 N PRO A 95 4.695 6.636 -16.180 1.00 0.00 N ATOM 1163 CA PRO A 95 5.557 7.172 -15.116 1.00 0.00 C ATOM 1164 C PRO A 95 6.742 6.246 -14.765 1.00 0.00 C ATOM 1165 O PRO A 95 7.499 6.527 -13.836 1.00 0.00 O ATOM 1166 CB PRO A 95 4.614 7.375 -13.924 1.00 0.00 C ATOM 1167 CG PRO A 95 3.637 6.210 -14.082 1.00 0.00 C ATOM 1168 CD PRO A 95 3.463 6.120 -15.595 1.00 0.00 C ATOM 0 HA PRO A 95 6.040 8.098 -15.429 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.145 7.334 -12.973 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.108 8.339 -13.965 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.038 5.286 -13.665 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.691 6.404 -13.577 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.287 5.090 -15.906 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.603 6.704 -15.923 1.00 0.00 H new ATOM 1176 N SER A 96 6.917 5.141 -15.501 1.00 0.00 N ATOM 1177 CA SER A 96 7.909 4.072 -15.299 1.00 0.00 C ATOM 1178 C SER A 96 9.317 4.512 -14.849 1.00 0.00 C ATOM 1179 O SER A 96 9.818 3.911 -13.897 1.00 0.00 O ATOM 1180 CB SER A 96 8.031 3.228 -16.578 1.00 0.00 C ATOM 1181 OG SER A 96 6.759 2.787 -17.024 1.00 0.00 O ATOM 0 H SER A 96 6.327 4.955 -16.312 1.00 0.00 H new ATOM 0 HA SER A 96 7.514 3.499 -14.460 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.510 3.816 -17.361 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.672 2.367 -16.389 1.00 0.00 H new ATOM 0 HG SER A 96 6.643 3.024 -17.968 1.00 0.00 H new ATOM 1187 N PRO A 97 9.977 5.545 -15.427 1.00 0.00 N ATOM 1188 CA PRO A 97 11.326 5.932 -14.995 1.00 0.00 C ATOM 1189 C PRO A 97 11.424 6.453 -13.548 1.00 0.00 C ATOM 1190 O PRO A 97 12.502 6.396 -12.960 1.00 0.00 O ATOM 1191 CB PRO A 97 11.802 6.978 -16.002 1.00 0.00 C ATOM 1192 CG PRO A 97 10.515 7.544 -16.597 1.00 0.00 C ATOM 1193 CD PRO A 97 9.599 6.326 -16.604 1.00 0.00 C ATOM 0 HA PRO A 97 11.961 5.046 -14.978 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.392 7.756 -15.518 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.433 6.532 -16.771 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.109 8.355 -15.992 1.00 0.00 H new ATOM 0 HG3 PRO A 97 10.671 7.942 -17.600 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.551 6.623 -16.558 1.00 0.00 H new ATOM 0 HD3 PRO A 97 9.726 5.745 -17.518 1.00 0.00 H new ATOM 1201 N LEU A 98 10.324 6.911 -12.937 1.00 0.00 N ATOM 1202 CA LEU A 98 10.273 7.268 -11.510 1.00 0.00 C ATOM 1203 C LEU A 98 10.434 5.997 -10.649 1.00 0.00 C ATOM 1204 O LEU A 98 11.312 5.892 -9.785 1.00 0.00 O ATOM 1205 CB LEU A 98 8.945 8.031 -11.287 1.00 0.00 C ATOM 1206 CG LEU A 98 8.802 8.805 -9.966 1.00 0.00 C ATOM 1207 CD1 LEU A 98 7.641 9.796 -10.066 1.00 0.00 C ATOM 1208 CD2 LEU A 98 8.514 7.902 -8.766 1.00 0.00 C ATOM 0 H LEU A 98 9.436 7.046 -13.421 1.00 0.00 H new ATOM 0 HA LEU A 98 11.091 7.920 -11.205 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.816 8.735 -12.109 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.127 7.314 -11.351 1.00 0.00 H new ATOM 0 HG LEU A 98 9.758 9.304 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 98 7.546 10.341 -9.127 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.832 10.500 -10.876 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.717 9.254 -10.267 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.425 8.510 -7.866 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.582 7.361 -8.933 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.330 7.190 -8.643 1.00 0.00 H new ATOM 1220 N TYR A 99 9.652 4.966 -10.962 1.00 0.00 N ATOM 1221 CA TYR A 99 9.761 3.669 -10.296 1.00 0.00 C ATOM 1222 C TYR A 99 11.093 2.968 -10.612 1.00 0.00 C ATOM 1223 O TYR A 99 11.648 2.306 -9.742 1.00 0.00 O ATOM 1224 CB TYR A 99 8.550 2.802 -10.662 1.00 0.00 C ATOM 1225 CG TYR A 99 7.220 3.418 -10.264 1.00 0.00 C ATOM 1226 CD1 TYR A 99 6.771 3.314 -8.933 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.438 4.106 -11.216 1.00 0.00 C ATOM 1228 CE1 TYR A 99 5.539 3.881 -8.554 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.209 4.678 -10.835 1.00 0.00 C ATOM 1230 CZ TYR A 99 4.751 4.562 -9.506 1.00 0.00 C ATOM 1231 OH TYR A 99 3.545 5.092 -9.161 1.00 0.00 O ATOM 0 H TYR A 99 8.929 5.005 -11.680 1.00 0.00 H new ATOM 0 HA TYR A 99 9.759 3.830 -9.218 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.552 2.625 -11.738 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.650 1.830 -10.179 1.00 0.00 H new ATOM 0 HD1 TYR A 99 7.374 2.798 -8.201 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.782 4.194 -12.236 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.197 3.795 -7.533 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.614 5.208 -11.564 1.00 0.00 H new ATOM 0 HH TYR A 99 3.142 5.525 -9.942 1.00 0.00 H new ATOM 1241 N ASP A 100 11.680 3.186 -11.794 1.00 0.00 N ATOM 1242 CA ASP A 100 13.038 2.727 -12.129 1.00 0.00 C ATOM 1243 C ASP A 100 14.131 3.416 -11.285 1.00 0.00 C ATOM 1244 O ASP A 100 15.137 2.803 -10.921 1.00 0.00 O ATOM 1245 CB ASP A 100 13.307 2.970 -13.614 1.00 0.00 C ATOM 1246 CG ASP A 100 14.525 2.167 -14.102 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.436 0.918 -14.171 1.00 0.00 O ATOM 1248 OD2 ASP A 100 15.568 2.780 -14.432 1.00 0.00 O ATOM 0 H ASP A 100 11.224 3.691 -12.554 1.00 0.00 H new ATOM 0 HA ASP A 100 13.082 1.662 -11.900 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.428 2.690 -14.195 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.477 4.033 -13.785 1.00 0.00 H new ATOM 1253 N MET A 101 13.905 4.679 -10.912 1.00 0.00 N ATOM 1254 CA MET A 101 14.719 5.437 -9.961 1.00 0.00 C ATOM 1255 C MET A 101 14.554 4.906 -8.521 1.00 0.00 C ATOM 1256 O MET A 101 15.519 4.919 -7.763 1.00 0.00 O ATOM 1257 CB MET A 101 14.370 6.937 -10.131 1.00 0.00 C ATOM 1258 CG MET A 101 14.308 7.749 -8.837 1.00 0.00 C ATOM 1259 SD MET A 101 13.558 9.390 -9.019 1.00 0.00 S ATOM 1260 CE MET A 101 11.997 9.084 -8.143 1.00 0.00 C ATOM 0 H MET A 101 13.122 5.220 -11.278 1.00 0.00 H new ATOM 0 HA MET A 101 15.782 5.310 -10.168 1.00 0.00 H new ATOM 0 HB2 MET A 101 15.110 7.392 -10.790 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.406 7.013 -10.634 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.743 7.185 -8.095 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.319 7.866 -8.447 1.00 0.00 H new ATOM 0 HE1 MET A 101 11.377 9.980 -8.180 1.00 0.00 H new ATOM 0 HE2 MET A 101 11.469 8.257 -8.618 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.207 8.831 -7.104 1.00 0.00 H new ATOM 1270 N LEU A 102 13.363 4.426 -8.137 1.00 0.00 N ATOM 1271 CA LEU A 102 13.059 3.932 -6.786 1.00 0.00 C ATOM 1272 C LEU A 102 13.347 2.441 -6.568 1.00 0.00 C ATOM 1273 O LEU A 102 13.654 2.071 -5.438 1.00 0.00 O ATOM 1274 CB LEU A 102 11.595 4.254 -6.441 1.00 0.00 C ATOM 1275 CG LEU A 102 11.274 5.756 -6.357 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.785 5.923 -6.080 1.00 0.00 C ATOM 1277 CD2 LEU A 102 12.051 6.460 -5.246 1.00 0.00 C ATOM 0 H LEU A 102 12.566 4.369 -8.771 1.00 0.00 H new ATOM 0 HA LEU A 102 13.739 4.453 -6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.950 3.799 -7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.349 3.789 -5.486 1.00 0.00 H new ATOM 0 HG LEU A 102 11.563 6.207 -7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 102 9.543 6.984 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.211 5.467 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 102 9.534 5.438 -5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 102 11.787 7.517 -5.231 1.00 0.00 H new ATOM 0 HD22 LEU A 102 11.801 6.010 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 102 13.121 6.356 -5.428 1.00 0.00 H new ATOM 1289 N ARG A 103 13.323 1.590 -7.605 1.00 0.00 N ATOM 1290 CA ARG A 103 13.556 0.131 -7.474 1.00 0.00 C ATOM 1291 C ARG A 103 14.945 -0.242 -6.966 1.00 0.00 C ATOM 1292 O ARG A 103 15.123 -1.270 -6.315 1.00 0.00 O ATOM 1293 CB ARG A 103 13.161 -0.617 -8.756 1.00 0.00 C ATOM 1294 CG ARG A 103 13.935 -0.361 -10.061 1.00 0.00 C ATOM 1295 CD ARG A 103 15.386 -0.854 -10.153 1.00 0.00 C ATOM 1296 NE ARG A 103 15.541 -2.273 -9.770 1.00 0.00 N ATOM 1297 CZ ARG A 103 16.671 -2.893 -9.470 1.00 0.00 C ATOM 1298 NH1 ARG A 103 17.829 -2.294 -9.520 1.00 0.00 N ATOM 1299 NH2 ARG A 103 16.662 -4.144 -9.111 1.00 0.00 N ATOM 0 H ARG A 103 13.142 1.888 -8.563 1.00 0.00 H new ATOM 0 HA ARG A 103 12.889 -0.208 -6.681 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.227 -1.684 -8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.112 -0.395 -8.952 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.375 -0.820 -10.876 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.937 0.714 -10.242 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.746 -0.718 -11.173 1.00 0.00 H new ATOM 0 HD3 ARG A 103 16.014 -0.239 -9.508 1.00 0.00 H new ATOM 0 HE ARG A 103 14.689 -2.832 -9.733 1.00 0.00 H new ATOM 0 HH11 ARG A 103 17.885 -1.314 -9.798 1.00 0.00 H new ATOM 0 HH12 ARG A 103 18.679 -2.806 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 103 15.780 -4.653 -9.059 1.00 0.00 H new ATOM 0 HH22 ARG A 103 17.537 -4.615 -8.881 1.00 0.00 H new ATOM 1313 N LYS A 104 15.907 0.649 -7.217 1.00 0.00 N ATOM 1314 CA LYS A 104 17.270 0.584 -6.656 1.00 0.00 C ATOM 1315 C LYS A 104 17.272 0.761 -5.132 1.00 0.00 C ATOM 1316 O LYS A 104 18.142 0.207 -4.460 1.00 0.00 O ATOM 1317 CB LYS A 104 18.213 1.570 -7.379 1.00 0.00 C ATOM 1318 CG LYS A 104 18.236 2.995 -6.796 1.00 0.00 C ATOM 1319 CD LYS A 104 19.162 3.950 -7.566 1.00 0.00 C ATOM 1320 CE LYS A 104 18.661 4.245 -8.988 1.00 0.00 C ATOM 1321 NZ LYS A 104 19.587 5.162 -9.713 1.00 0.00 N ATOM 0 H LYS A 104 15.763 1.454 -7.827 1.00 0.00 H new ATOM 0 HA LYS A 104 17.661 -0.417 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.225 1.167 -7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.920 1.627 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.224 3.399 -6.801 1.00 0.00 H new ATOM 0 HG3 LYS A 104 18.556 2.950 -5.755 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.250 4.886 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 104 20.161 3.516 -7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.564 3.311 -9.542 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.668 4.692 -8.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 19.220 5.341 -10.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.660 6.062 -9.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.528 4.724 -9.780 1.00 0.00 H new ATOM 1335 N ASN A 105 16.290 1.498 -4.590 1.00 0.00 N ATOM 1336 CA ASN A 105 16.077 1.587 -3.140 1.00 0.00 C ATOM 1337 C ASN A 105 15.168 0.457 -2.611 1.00 0.00 C ATOM 1338 O ASN A 105 15.654 -0.423 -1.898 1.00 0.00 O ATOM 1339 CB ASN A 105 15.587 2.989 -2.771 1.00 0.00 C ATOM 1340 CG ASN A 105 15.411 3.124 -1.265 1.00 0.00 C ATOM 1341 OD1 ASN A 105 14.329 2.952 -0.731 1.00 0.00 O ATOM 1342 ND2 ASN A 105 16.465 3.408 -0.534 1.00 0.00 N ATOM 0 H ASN A 105 15.627 2.044 -5.140 1.00 0.00 H new ATOM 0 HA ASN A 105 17.031 1.433 -2.636 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.300 3.733 -3.126 1.00 0.00 H new ATOM 0 HB3 ASN A 105 14.640 3.191 -3.271 1.00 0.00 H new ATOM 0 HD21 ASN A 105 16.377 3.484 0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.371 3.552 -0.980 1.00 0.00 H new