USER MOD reduce.3.24.130724 H: found=0, std=0, add=756, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 755 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 79 MET CE :methyl 138:sc= -1.39! (180deg=-4.04!) USER MOD Set 1.2: A 83 ASN : amide:sc= -8.09! C(o=-9.5!,f=-8.3!) USER MOD Set 2.1: A 44 TYR OH : rot 57:sc= 0.951 USER MOD Set 2.2: A 46 GLN : amide:sc= -8.13! C(o=-7.2!,f=-8!) USER MOD Set 3.1: A 26 THR OG1 : rot -123:sc= 0.416 USER MOD Set 3.2: A 28 LYS NZ :NH3+ -174:sc= 0.697 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.11) USER MOD Single : A 4 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.28) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.291) USER MOD Single : A 16 HIS : no HE2:sc= -6.25! C(o=-6.3!,f=-9.7!) USER MOD Single : A 21 GLN : amide:sc= -1.32! X(o=-1.3!,f=-0.94) USER MOD Single : A 24 MET CE :methyl -103:sc= -1.16 (180deg=-1.51) USER MOD Single : A 31 MET CE :methyl 165:sc= -9.22! (180deg=-11!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0093) USER MOD Single : A 33 TYR OH : rot -165:sc= 2 USER MOD Single : A 36 GLN : amide:sc=-0.00529 X(o=-0.0053,f=-0.015) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl -168:sc= -0.735 (180deg=-1.22) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -4.52! C(o=-4.5!,f=-3.6!) USER MOD Single : A 47 GLN : amide:sc= -7.36! C(o=-7.4!,f=-3.6!) USER MOD Single : A 49 GLN : amide:sc= 0.00142 X(o=0.0014,f=-0.12) USER MOD Single : A 50 HIS : no HD1:sc= -5.12! C(o=-5.1!,f=-3.1!) USER MOD Single : A 51 MET CE :methyl -164:sc= -1.99 (180deg=-2.89) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot -117:sc= -1.76! USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -82:sc= 0.815 USER MOD Single : A 71 LYS NZ :NH3+ 168:sc= -2.5! (180deg=-2.82!) USER MOD Single : A 74 SER OG : rot 170:sc= -3.26! USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -160:sc= -1.64! (180deg=-2.38!) USER MOD Single : B 120 SER OG : rot 180:sc= 0 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ASN A 3 7.130 -0.978 -0.942 1.00 0.00 N ATOM 38 CA ASN A 3 7.997 -2.068 -1.377 1.00 0.00 C ATOM 39 C ASN A 3 9.452 -1.781 -1.020 1.00 0.00 C ATOM 40 O ASN A 3 9.782 -0.694 -0.546 1.00 0.00 O ATOM 41 CB ASN A 3 7.863 -2.281 -2.886 1.00 0.00 C ATOM 42 CG ASN A 3 7.216 -3.610 -3.227 1.00 0.00 C ATOM 43 OD1 ASN A 3 7.603 -4.272 -4.190 1.00 0.00 O ATOM 44 ND2 ASN A 3 6.226 -4.006 -2.436 1.00 0.00 N ATOM 0 HA ASN A 3 7.687 -2.976 -0.859 1.00 0.00 H new ATOM 0 HB2 ASN A 3 7.271 -1.472 -3.313 1.00 0.00 H new ATOM 0 HB3 ASN A 3 8.850 -2.232 -3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 3 5.753 -4.892 -2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 3 5.938 -3.425 -1.649 1.00 0.00 H new ATOM 51 N GLN A 4 10.317 -2.763 -1.250 1.00 0.00 N ATOM 52 CA GLN A 4 11.736 -2.616 -0.952 1.00 0.00 C ATOM 53 C GLN A 4 12.450 -1.854 -2.064 1.00 0.00 C ATOM 54 O GLN A 4 11.932 -1.725 -3.173 1.00 0.00 O ATOM 55 CB GLN A 4 12.384 -3.989 -0.762 1.00 0.00 C ATOM 56 CG GLN A 4 11.552 -4.943 0.079 1.00 0.00 C ATOM 57 CD GLN A 4 10.782 -5.943 -0.762 1.00 0.00 C ATOM 58 OE1 GLN A 4 11.368 -6.706 -1.531 1.00 0.00 O ATOM 59 NE2 GLN A 4 9.462 -5.944 -0.620 1.00 0.00 N ATOM 0 H GLN A 4 10.060 -3.669 -1.642 1.00 0.00 H new ATOM 0 HA GLN A 4 11.830 -2.046 -0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 4 12.558 -4.438 -1.740 1.00 0.00 H new ATOM 0 HB3 GLN A 4 13.359 -3.860 -0.292 1.00 0.00 H new ATOM 0 HG2 GLN A 4 12.206 -5.479 0.767 1.00 0.00 H new ATOM 0 HG3 GLN A 4 10.852 -4.370 0.687 1.00 0.00 H new ATOM 0 HE21 GLN A 4 9.018 -5.294 0.029 1.00 0.00 H new ATOM 0 HE22 GLN A 4 8.891 -6.595 -1.160 1.00 0.00 H new ATOM 68 N VAL A 5 13.641 -1.350 -1.759 1.00 0.00 N ATOM 69 CA VAL A 5 14.426 -0.601 -2.733 1.00 0.00 C ATOM 70 C VAL A 5 15.919 -0.846 -2.541 1.00 0.00 C ATOM 71 O VAL A 5 16.335 -1.476 -1.569 1.00 0.00 O ATOM 72 CB VAL A 5 14.149 0.911 -2.633 1.00 0.00 C ATOM 73 CG1 VAL A 5 12.673 1.199 -2.857 1.00 0.00 C ATOM 74 CG2 VAL A 5 14.607 1.449 -1.286 1.00 0.00 C ATOM 0 H VAL A 5 14.084 -1.447 -0.845 1.00 0.00 H new ATOM 0 HA VAL A 5 14.126 -0.954 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 5 14.716 1.419 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 5 12.496 2.272 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 5 12.381 0.851 -3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 5 12.082 0.681 -2.101 1.00 0.00 H new ATOM 0 HG21 VAL A 5 14.404 2.519 -1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 5 14.069 0.937 -0.488 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.677 1.277 -1.170 1.00 0.00 H new ATOM 84 N ARG A 6 16.720 -0.344 -3.475 1.00 0.00 N ATOM 85 CA ARG A 6 18.167 -0.509 -3.409 1.00 0.00 C ATOM 86 C ARG A 6 18.880 0.795 -3.755 1.00 0.00 C ATOM 87 O ARG A 6 18.967 1.194 -4.917 1.00 0.00 O ATOM 88 CB ARG A 6 18.619 -1.618 -4.362 1.00 0.00 C ATOM 89 CG ARG A 6 19.812 -2.409 -3.853 1.00 0.00 C ATOM 90 CD ARG A 6 20.600 -3.028 -4.998 1.00 0.00 C ATOM 91 NE ARG A 6 21.702 -2.172 -5.429 1.00 0.00 N ATOM 92 CZ ARG A 6 22.866 -2.097 -4.793 1.00 0.00 C ATOM 93 NH1 ARG A 6 23.079 -2.823 -3.704 1.00 0.00 N ATOM 94 NH2 ARG A 6 23.821 -1.295 -5.247 1.00 0.00 N ATOM 0 H ARG A 6 16.392 0.180 -4.286 1.00 0.00 H new ATOM 0 HA ARG A 6 18.429 -0.786 -2.388 1.00 0.00 H new ATOM 0 HB2 ARG A 6 17.787 -2.301 -4.532 1.00 0.00 H new ATOM 0 HB3 ARG A 6 18.871 -1.177 -5.326 1.00 0.00 H new ATOM 0 HG2 ARG A 6 20.463 -1.755 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 6 19.469 -3.194 -3.180 1.00 0.00 H new ATOM 0 HD2 ARG A 6 20.993 -3.996 -4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 6 19.933 -3.211 -5.840 1.00 0.00 H new ATOM 0 HE ARG A 6 21.571 -1.601 -6.264 1.00 0.00 H new ATOM 0 HH11 ARG A 6 22.348 -3.441 -3.352 1.00 0.00 H new ATOM 0 HH12 ARG A 6 23.974 -2.763 -3.218 1.00 0.00 H new ATOM 0 HH21 ARG A 6 23.662 -0.736 -6.085 1.00 0.00 H new ATOM 0 HH22 ARG A 6 24.714 -1.238 -4.758 1.00 0.00 H new ATOM 108 N PRO A 7 19.401 1.476 -2.724 1.00 0.00 N ATOM 109 CA PRO A 7 20.115 2.745 -2.894 1.00 0.00 C ATOM 110 C PRO A 7 21.463 2.565 -3.583 1.00 0.00 C ATOM 111 O PRO A 7 22.383 1.968 -3.023 1.00 0.00 O ATOM 112 CB PRO A 7 20.310 3.238 -1.458 1.00 0.00 C ATOM 113 CG PRO A 7 20.285 2.001 -0.627 1.00 0.00 C ATOM 114 CD PRO A 7 19.334 1.060 -1.313 1.00 0.00 C ATOM 0 HA PRO A 7 19.564 3.440 -3.527 1.00 0.00 H new ATOM 0 HB2 PRO A 7 21.254 3.771 -1.347 1.00 0.00 H new ATOM 0 HB3 PRO A 7 19.519 3.928 -1.165 1.00 0.00 H new ATOM 0 HG2 PRO A 7 21.280 1.563 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 7 19.953 2.220 0.388 1.00 0.00 H new ATOM 0 HD2 PRO A 7 19.636 0.020 -1.186 1.00 0.00 H new ATOM 0 HD3 PRO A 7 18.323 1.150 -0.915 1.00 0.00 H new ATOM 122 N LYS A 8 21.574 3.084 -4.801 1.00 0.00 N ATOM 123 CA LYS A 8 22.811 2.982 -5.567 1.00 0.00 C ATOM 124 C LYS A 8 23.926 3.788 -4.909 1.00 0.00 C ATOM 125 O LYS A 8 23.684 4.558 -3.978 1.00 0.00 O ATOM 126 CB LYS A 8 22.590 3.472 -6.999 1.00 0.00 C ATOM 127 CG LYS A 8 21.507 2.710 -7.743 1.00 0.00 C ATOM 128 CD LYS A 8 22.099 1.741 -8.752 1.00 0.00 C ATOM 129 CE LYS A 8 21.164 1.524 -9.932 1.00 0.00 C ATOM 130 NZ LYS A 8 21.731 0.565 -10.920 1.00 0.00 N ATOM 0 H LYS A 8 20.822 3.580 -5.279 1.00 0.00 H new ATOM 0 HA LYS A 8 23.109 1.934 -5.590 1.00 0.00 H new ATOM 0 HB2 LYS A 8 22.327 4.530 -6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 8 23.526 3.388 -7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.891 2.162 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.852 3.415 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.054 2.125 -9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.301 0.786 -8.266 1.00 0.00 H new ATOM 0 HE2 LYS A 8 20.206 1.150 -9.572 1.00 0.00 H new ATOM 0 HE3 LYS A 8 20.970 2.478 -10.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 21.064 0.444 -11.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.633 0.933 -11.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.892 -0.353 -10.459 1.00 0.00 H new ATOM 144 N LEU A 9 25.148 3.607 -5.398 1.00 0.00 N ATOM 145 CA LEU A 9 26.301 4.319 -4.858 1.00 0.00 C ATOM 146 C LEU A 9 25.924 5.741 -4.457 1.00 0.00 C ATOM 147 O LEU A 9 26.063 6.144 -3.301 1.00 0.00 O ATOM 148 CB LEU A 9 27.433 4.351 -5.887 1.00 0.00 C ATOM 149 CG LEU A 9 27.124 3.719 -7.245 1.00 0.00 C ATOM 150 CD1 LEU A 9 28.069 4.253 -8.310 1.00 0.00 C ATOM 151 CD2 LEU A 9 27.215 2.202 -7.160 1.00 0.00 C ATOM 0 H LEU A 9 25.366 2.974 -6.167 1.00 0.00 H new ATOM 0 HA LEU A 9 26.641 3.788 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 9 27.720 5.390 -6.049 1.00 0.00 H new ATOM 0 HB3 LEU A 9 28.299 3.844 -5.461 1.00 0.00 H new ATOM 0 HG LEU A 9 26.105 3.987 -7.526 1.00 0.00 H new ATOM 0 HD11 LEU A 9 27.834 3.792 -9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 9 27.954 5.334 -8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 9 29.097 4.016 -8.036 1.00 0.00 H new ATOM 0 HD21 LEU A 9 26.992 1.769 -8.135 1.00 0.00 H new ATOM 0 HD22 LEU A 9 28.222 1.914 -6.857 1.00 0.00 H new ATOM 0 HD23 LEU A 9 26.496 1.835 -6.427 1.00 0.00 H new ATOM 163 N PRO A 10 25.432 6.521 -5.431 1.00 0.00 N ATOM 164 CA PRO A 10 25.022 7.910 -5.202 1.00 0.00 C ATOM 165 C PRO A 10 23.760 8.009 -4.352 1.00 0.00 C ATOM 166 O PRO A 10 23.480 9.051 -3.758 1.00 0.00 O ATOM 167 CB PRO A 10 24.758 8.439 -6.614 1.00 0.00 C ATOM 168 CG PRO A 10 24.426 7.228 -7.416 1.00 0.00 C ATOM 169 CD PRO A 10 25.239 6.107 -6.831 1.00 0.00 C ATOM 0 HA PRO A 10 25.778 8.473 -4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 10 23.937 9.156 -6.621 1.00 0.00 H new ATOM 0 HB3 PRO A 10 25.632 8.952 -7.015 1.00 0.00 H new ATOM 0 HG2 PRO A 10 23.360 7.006 -7.363 1.00 0.00 H new ATOM 0 HG3 PRO A 10 24.669 7.378 -8.468 1.00 0.00 H new ATOM 0 HD2 PRO A 10 24.716 5.153 -6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 10 26.190 5.987 -7.350 1.00 0.00 H new ATOM 177 N LEU A 11 23.002 6.919 -4.298 1.00 0.00 N ATOM 178 CA LEU A 11 21.769 6.883 -3.519 1.00 0.00 C ATOM 179 C LEU A 11 22.038 6.407 -2.095 1.00 0.00 C ATOM 180 O LEU A 11 21.201 6.569 -1.207 1.00 0.00 O ATOM 181 CB LEU A 11 20.745 5.966 -4.191 1.00 0.00 C ATOM 182 CG LEU A 11 19.520 6.656 -4.792 1.00 0.00 C ATOM 183 CD1 LEU A 11 19.899 8.009 -5.372 1.00 0.00 C ATOM 184 CD2 LEU A 11 18.883 5.777 -5.859 1.00 0.00 C ATOM 0 H LEU A 11 23.219 6.049 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 11 21.367 7.895 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 11 21.249 5.410 -4.982 1.00 0.00 H new ATOM 0 HB3 LEU A 11 20.403 5.237 -3.457 1.00 0.00 H new ATOM 0 HG LEU A 11 18.791 6.816 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 11 19.014 8.484 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 11 20.309 8.641 -4.584 1.00 0.00 H new ATOM 0 HD13 LEU A 11 20.646 7.873 -6.154 1.00 0.00 H new ATOM 0 HD21 LEU A 11 18.013 6.284 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 11 19.606 5.586 -6.652 1.00 0.00 H new ATOM 0 HD23 LEU A 11 18.574 4.831 -5.414 1.00 0.00 H new ATOM 196 N LEU A 12 23.211 5.821 -1.885 1.00 0.00 N ATOM 197 CA LEU A 12 23.592 5.323 -0.568 1.00 0.00 C ATOM 198 C LEU A 12 24.026 6.467 0.342 1.00 0.00 C ATOM 199 O LEU A 12 23.576 6.572 1.483 1.00 0.00 O ATOM 200 CB LEU A 12 24.723 4.300 -0.695 1.00 0.00 C ATOM 201 CG LEU A 12 24.619 3.069 0.206 1.00 0.00 C ATOM 202 CD1 LEU A 12 26.003 2.588 0.615 1.00 0.00 C ATOM 203 CD2 LEU A 12 23.775 3.377 1.435 1.00 0.00 C ATOM 0 H LEU A 12 23.915 5.679 -2.609 1.00 0.00 H new ATOM 0 HA LEU A 12 22.722 4.840 -0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 12 24.768 3.964 -1.731 1.00 0.00 H new ATOM 0 HB3 LEU A 12 25.666 4.803 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 12 24.131 2.272 -0.355 1.00 0.00 H new ATOM 0 HD11 LEU A 12 25.909 1.711 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 12 26.575 2.327 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.518 3.381 1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 12 23.712 2.490 2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 12 24.235 4.189 1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 12 22.773 3.673 1.124 1.00 0.00 H new ATOM 215 N LYS A 13 24.902 7.324 -0.170 1.00 0.00 N ATOM 216 CA LYS A 13 25.396 8.464 0.594 1.00 0.00 C ATOM 217 C LYS A 13 24.243 9.353 1.049 1.00 0.00 C ATOM 218 O LYS A 13 24.345 10.045 2.063 1.00 0.00 O ATOM 219 CB LYS A 13 26.381 9.279 -0.247 1.00 0.00 C ATOM 220 CG LYS A 13 25.967 9.423 -1.701 1.00 0.00 C ATOM 221 CD LYS A 13 25.893 10.883 -2.117 1.00 0.00 C ATOM 222 CE LYS A 13 27.152 11.317 -2.852 1.00 0.00 C ATOM 223 NZ LYS A 13 27.025 11.137 -4.325 1.00 0.00 N ATOM 0 H LYS A 13 25.285 7.251 -1.112 1.00 0.00 H new ATOM 0 HA LYS A 13 25.910 8.084 1.477 1.00 0.00 H new ATOM 0 HB2 LYS A 13 26.486 10.271 0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 13 27.362 8.806 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 13 26.680 8.898 -2.337 1.00 0.00 H new ATOM 0 HG3 LYS A 13 24.996 8.951 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 13 25.025 11.036 -2.758 1.00 0.00 H new ATOM 0 HD3 LYS A 13 25.752 11.507 -1.235 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.359 12.364 -2.631 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.002 10.740 -2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.737 11.721 -4.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.175 10.137 -4.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 26.074 11.428 -4.630 1.00 0.00 H new ATOM 237 N ILE A 14 23.149 9.328 0.296 1.00 0.00 N ATOM 238 CA ILE A 14 21.977 10.130 0.626 1.00 0.00 C ATOM 239 C ILE A 14 21.372 9.698 1.957 1.00 0.00 C ATOM 240 O ILE A 14 21.191 10.513 2.863 1.00 0.00 O ATOM 241 CB ILE A 14 20.901 10.031 -0.471 1.00 0.00 C ATOM 242 CG1 ILE A 14 21.511 10.327 -1.843 1.00 0.00 C ATOM 243 CG2 ILE A 14 19.755 10.987 -0.177 1.00 0.00 C ATOM 244 CD1 ILE A 14 21.894 11.777 -2.034 1.00 0.00 C ATOM 0 H ILE A 14 23.049 8.762 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 14 22.313 11.164 0.702 1.00 0.00 H new ATOM 0 HB ILE A 14 20.507 9.015 -0.482 1.00 0.00 H new ATOM 0 HG12 ILE A 14 22.396 9.705 -1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 14 20.798 10.043 -2.617 1.00 0.00 H new ATOM 0 HG21 ILE A 14 19.003 10.905 -0.961 1.00 0.00 H new ATOM 0 HG22 ILE A 14 19.307 10.733 0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 14 20.133 12.009 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 14 22.319 11.913 -3.028 1.00 0.00 H new ATOM 0 HD12 ILE A 14 21.009 12.404 -1.929 1.00 0.00 H new ATOM 0 HD13 ILE A 14 22.631 12.061 -1.282 1.00 0.00 H new ATOM 256 N LEU A 15 21.062 8.412 2.070 1.00 0.00 N ATOM 257 CA LEU A 15 20.478 7.870 3.292 1.00 0.00 C ATOM 258 C LEU A 15 21.504 7.842 4.420 1.00 0.00 C ATOM 259 O LEU A 15 21.174 8.086 5.580 1.00 0.00 O ATOM 260 CB LEU A 15 19.940 6.460 3.042 1.00 0.00 C ATOM 261 CG LEU A 15 19.241 6.236 1.700 1.00 0.00 C ATOM 262 CD1 LEU A 15 18.618 4.850 1.647 1.00 0.00 C ATOM 263 CD2 LEU A 15 18.185 7.307 1.464 1.00 0.00 C ATOM 0 H LEU A 15 21.205 7.724 1.330 1.00 0.00 H new ATOM 0 HA LEU A 15 19.655 8.519 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 15 20.770 5.757 3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 15 19.239 6.214 3.840 1.00 0.00 H new ATOM 0 HG LEU A 15 19.986 6.307 0.908 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.125 4.709 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 15 19.396 4.096 1.770 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.885 4.749 2.448 1.00 0.00 H new ATOM 0 HD21 LEU A 15 17.698 7.132 0.505 1.00 0.00 H new ATOM 0 HD22 LEU A 15 17.442 7.268 2.261 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.658 8.289 1.457 1.00 0.00 H new ATOM 275 N HIS A 16 22.752 7.544 4.070 1.00 0.00 N ATOM 276 CA HIS A 16 23.828 7.487 5.053 1.00 0.00 C ATOM 277 C HIS A 16 23.975 8.823 5.776 1.00 0.00 C ATOM 278 O HIS A 16 24.031 8.872 7.004 1.00 0.00 O ATOM 279 CB HIS A 16 25.147 7.113 4.376 1.00 0.00 C ATOM 280 CG HIS A 16 25.369 5.635 4.273 1.00 0.00 C ATOM 281 ND1 HIS A 16 26.623 5.062 4.263 1.00 0.00 N ATOM 282 CD2 HIS A 16 24.488 4.612 4.178 1.00 0.00 C ATOM 283 CE1 HIS A 16 26.504 3.750 4.164 1.00 0.00 C ATOM 284 NE2 HIS A 16 25.219 3.451 4.111 1.00 0.00 N ATOM 0 H HIS A 16 23.042 7.339 3.114 1.00 0.00 H new ATOM 0 HA HIS A 16 23.575 6.722 5.787 1.00 0.00 H new ATOM 0 HB2 HIS A 16 25.168 7.546 3.376 1.00 0.00 H new ATOM 0 HB3 HIS A 16 25.971 7.558 4.934 1.00 0.00 H new ATOM 0 HD1 HIS A 16 27.505 5.571 4.323 1.00 0.00 H new ATOM 0 HD2 HIS A 16 23.411 4.693 4.159 1.00 0.00 H new ATOM 0 HE1 HIS A 16 27.319 3.042 4.132 1.00 0.00 H new ATOM 292 N ALA A 17 24.038 9.904 5.005 1.00 0.00 N ATOM 293 CA ALA A 17 24.177 11.239 5.572 1.00 0.00 C ATOM 294 C ALA A 17 23.087 11.514 6.603 1.00 0.00 C ATOM 295 O ALA A 17 23.355 12.067 7.669 1.00 0.00 O ATOM 296 CB ALA A 17 24.139 12.287 4.469 1.00 0.00 C ATOM 0 H ALA A 17 23.995 9.881 3.986 1.00 0.00 H new ATOM 0 HA ALA A 17 25.141 11.294 6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 17 24.244 13.280 4.907 1.00 0.00 H new ATOM 0 HB2 ALA A 17 24.957 12.110 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 17 23.189 12.223 3.939 1.00 0.00 H new ATOM 302 N ALA A 18 21.859 11.126 6.277 1.00 0.00 N ATOM 303 CA ALA A 18 20.729 11.330 7.175 1.00 0.00 C ATOM 304 C ALA A 18 20.857 10.463 8.423 1.00 0.00 C ATOM 305 O ALA A 18 20.081 10.599 9.368 1.00 0.00 O ATOM 306 CB ALA A 18 19.422 11.034 6.456 1.00 0.00 C ATOM 0 H ALA A 18 21.621 10.668 5.397 1.00 0.00 H new ATOM 0 HA ALA A 18 20.729 12.374 7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.587 11.191 7.139 1.00 0.00 H new ATOM 0 HB2 ALA A 18 19.319 11.700 5.599 1.00 0.00 H new ATOM 0 HB3 ALA A 18 19.421 9.999 6.114 1.00 0.00 H new ATOM 312 N GLY A 19 21.843 9.570 8.419 1.00 0.00 N ATOM 313 CA GLY A 19 22.053 8.693 9.556 1.00 0.00 C ATOM 314 C GLY A 19 21.823 7.235 9.214 1.00 0.00 C ATOM 315 O GLY A 19 21.974 6.359 10.065 1.00 0.00 O ATOM 0 H GLY A 19 22.499 9.439 7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 19 23.070 8.820 9.926 1.00 0.00 H new ATOM 0 HA3 GLY A 19 21.382 8.984 10.364 1.00 0.00 H new ATOM 319 N ALA A 20 21.454 6.973 7.964 1.00 0.00 N ATOM 320 CA ALA A 20 21.203 5.610 7.512 1.00 0.00 C ATOM 321 C ALA A 20 22.506 4.834 7.358 1.00 0.00 C ATOM 322 O ALA A 20 23.592 5.389 7.521 1.00 0.00 O ATOM 323 CB ALA A 20 20.436 5.624 6.197 1.00 0.00 C ATOM 0 H ALA A 20 21.322 7.686 7.247 1.00 0.00 H new ATOM 0 HA ALA A 20 20.599 5.108 8.268 1.00 0.00 H new ATOM 0 HB1 ALA A 20 20.255 4.600 5.870 1.00 0.00 H new ATOM 0 HB2 ALA A 20 19.483 6.134 6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 20 21.020 6.148 5.441 1.00 0.00 H new ATOM 329 N GLN A 21 22.390 3.547 7.045 1.00 0.00 N ATOM 330 CA GLN A 21 23.560 2.695 6.871 1.00 0.00 C ATOM 331 C GLN A 21 23.160 1.325 6.332 1.00 0.00 C ATOM 332 O GLN A 21 22.262 0.675 6.865 1.00 0.00 O ATOM 333 CB GLN A 21 24.303 2.536 8.199 1.00 0.00 C ATOM 334 CG GLN A 21 25.816 2.566 8.056 1.00 0.00 C ATOM 335 CD GLN A 21 26.411 3.911 8.425 1.00 0.00 C ATOM 336 OE1 GLN A 21 27.193 4.018 9.370 1.00 0.00 O ATOM 337 NE2 GLN A 21 26.042 4.946 7.680 1.00 0.00 N ATOM 0 H GLN A 21 21.498 3.072 6.907 1.00 0.00 H new ATOM 0 HA GLN A 21 24.221 3.172 6.147 1.00 0.00 H new ATOM 0 HB2 GLN A 21 23.994 3.332 8.876 1.00 0.00 H new ATOM 0 HB3 GLN A 21 24.008 1.593 8.660 1.00 0.00 H new ATOM 0 HG2 GLN A 21 26.252 1.794 8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 21 26.085 2.324 7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 21 25.391 4.811 6.906 1.00 0.00 H new ATOM 0 HE22 GLN A 21 26.409 5.876 7.881 1.00 0.00 H new ATOM 346 N GLY A 22 23.834 0.893 5.270 1.00 0.00 N ATOM 347 CA GLY A 22 23.534 -0.397 4.676 1.00 0.00 C ATOM 348 C GLY A 22 23.418 -0.327 3.166 1.00 0.00 C ATOM 349 O GLY A 22 23.993 0.559 2.534 1.00 0.00 O ATOM 0 H GLY A 22 24.582 1.413 4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 22 24.315 -1.108 4.945 1.00 0.00 H new ATOM 0 HA3 GLY A 22 22.601 -0.777 5.092 1.00 0.00 H new ATOM 353 N GLU A 23 22.674 -1.264 2.587 1.00 0.00 N ATOM 354 CA GLU A 23 22.488 -1.305 1.142 1.00 0.00 C ATOM 355 C GLU A 23 21.079 -1.772 0.788 1.00 0.00 C ATOM 356 O GLU A 23 20.802 -2.133 -0.356 1.00 0.00 O ATOM 357 CB GLU A 23 23.521 -2.232 0.498 1.00 0.00 C ATOM 358 CG GLU A 23 24.958 -1.869 0.835 1.00 0.00 C ATOM 359 CD GLU A 23 25.454 -2.558 2.091 1.00 0.00 C ATOM 360 OE1 GLU A 23 25.620 -3.795 2.065 1.00 0.00 O ATOM 361 OE2 GLU A 23 25.678 -1.858 3.101 1.00 0.00 O ATOM 0 H GLU A 23 22.191 -2.004 3.096 1.00 0.00 H new ATOM 0 HA GLU A 23 22.626 -0.295 0.755 1.00 0.00 H new ATOM 0 HB2 GLU A 23 23.329 -3.256 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 23 23.393 -2.208 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 23 25.603 -2.139 -0.002 1.00 0.00 H new ATOM 0 HG3 GLU A 23 25.036 -0.789 0.962 1.00 0.00 H new ATOM 368 N MET A 24 20.193 -1.763 1.778 1.00 0.00 N ATOM 369 CA MET A 24 18.812 -2.185 1.571 1.00 0.00 C ATOM 370 C MET A 24 17.863 -1.399 2.471 1.00 0.00 C ATOM 371 O MET A 24 18.126 -1.218 3.660 1.00 0.00 O ATOM 372 CB MET A 24 18.668 -3.683 1.844 1.00 0.00 C ATOM 373 CG MET A 24 19.719 -4.531 1.147 1.00 0.00 C ATOM 374 SD MET A 24 19.484 -4.600 -0.639 1.00 0.00 S ATOM 375 CE MET A 24 21.169 -4.845 -1.194 1.00 0.00 C ATOM 0 H MET A 24 20.406 -1.468 2.731 1.00 0.00 H new ATOM 0 HA MET A 24 18.549 -1.985 0.532 1.00 0.00 H new ATOM 0 HB2 MET A 24 18.728 -3.856 2.919 1.00 0.00 H new ATOM 0 HB3 MET A 24 17.679 -4.009 1.523 1.00 0.00 H new ATOM 0 HG2 MET A 24 20.708 -4.127 1.364 1.00 0.00 H new ATOM 0 HG3 MET A 24 19.691 -5.542 1.552 1.00 0.00 H new ATOM 0 HE1 MET A 24 21.565 -3.906 -1.581 1.00 0.00 H new ATOM 0 HE2 MET A 24 21.782 -5.180 -0.358 1.00 0.00 H new ATOM 0 HE3 MET A 24 21.187 -5.598 -1.982 1.00 0.00 H new ATOM 385 N PHE A 25 16.759 -0.934 1.895 1.00 0.00 N ATOM 386 CA PHE A 25 15.772 -0.166 2.645 1.00 0.00 C ATOM 387 C PHE A 25 14.434 -0.136 1.911 1.00 0.00 C ATOM 388 O PHE A 25 14.380 -0.276 0.688 1.00 0.00 O ATOM 389 CB PHE A 25 16.272 1.262 2.875 1.00 0.00 C ATOM 390 CG PHE A 25 17.655 1.326 3.456 1.00 0.00 C ATOM 391 CD1 PHE A 25 18.769 1.189 2.643 1.00 0.00 C ATOM 392 CD2 PHE A 25 17.842 1.523 4.814 1.00 0.00 C ATOM 393 CE1 PHE A 25 20.044 1.248 3.174 1.00 0.00 C ATOM 394 CE2 PHE A 25 19.114 1.583 5.351 1.00 0.00 C ATOM 395 CZ PHE A 25 20.216 1.444 4.530 1.00 0.00 C ATOM 0 H PHE A 25 16.526 -1.076 0.912 1.00 0.00 H new ATOM 0 HA PHE A 25 15.627 -0.652 3.610 1.00 0.00 H new ATOM 0 HB2 PHE A 25 16.259 1.800 1.927 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.582 1.777 3.543 1.00 0.00 H new ATOM 0 HD1 PHE A 25 18.639 1.034 1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 25 16.984 1.631 5.461 1.00 0.00 H new ATOM 0 HE1 PHE A 25 20.904 1.141 2.529 1.00 0.00 H new ATOM 0 HE2 PHE A 25 19.246 1.738 6.412 1.00 0.00 H new ATOM 0 HZ PHE A 25 21.211 1.489 4.948 1.00 0.00 H new ATOM 405 N THR A 26 13.355 0.045 2.666 1.00 0.00 N ATOM 406 CA THR A 26 12.017 0.091 2.089 1.00 0.00 C ATOM 407 C THR A 26 11.607 1.523 1.767 1.00 0.00 C ATOM 408 O THR A 26 12.397 2.455 1.918 1.00 0.00 O ATOM 409 CB THR A 26 10.975 -0.528 3.039 1.00 0.00 C ATOM 410 OG1 THR A 26 11.602 -0.925 4.263 1.00 0.00 O ATOM 411 CG2 THR A 26 10.303 -1.731 2.394 1.00 0.00 C ATOM 0 H THR A 26 13.382 0.162 3.679 1.00 0.00 H new ATOM 0 HA THR A 26 12.049 -0.491 1.168 1.00 0.00 H new ATOM 0 HB THR A 26 10.215 0.224 3.249 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.443 -1.880 4.417 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.571 -2.152 3.083 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.801 -1.420 1.478 1.00 0.00 H new ATOM 0 HG23 THR A 26 11.054 -2.485 2.158 1.00 0.00 H new ATOM 419 N VAL A 27 10.366 1.692 1.321 1.00 0.00 N ATOM 420 CA VAL A 27 9.850 3.012 0.979 1.00 0.00 C ATOM 421 C VAL A 27 9.827 3.927 2.198 1.00 0.00 C ATOM 422 O VAL A 27 10.306 5.060 2.148 1.00 0.00 O ATOM 423 CB VAL A 27 8.429 2.924 0.391 1.00 0.00 C ATOM 424 CG1 VAL A 27 8.140 4.129 -0.492 1.00 0.00 C ATOM 425 CG2 VAL A 27 8.255 1.628 -0.388 1.00 0.00 C ATOM 0 H VAL A 27 9.700 0.931 1.188 1.00 0.00 H new ATOM 0 HA VAL A 27 10.521 3.429 0.228 1.00 0.00 H new ATOM 0 HB VAL A 27 7.713 2.927 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.132 4.049 -0.898 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.222 5.041 0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.859 4.161 -1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.246 1.582 -0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.978 1.593 -1.203 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.416 0.779 0.277 1.00 0.00 H new ATOM 435 N LYS A 28 9.267 3.428 3.295 1.00 0.00 N ATOM 436 CA LYS A 28 9.182 4.198 4.530 1.00 0.00 C ATOM 437 C LYS A 28 10.573 4.523 5.065 1.00 0.00 C ATOM 438 O LYS A 28 10.775 5.553 5.708 1.00 0.00 O ATOM 439 CB LYS A 28 8.387 3.425 5.584 1.00 0.00 C ATOM 440 CG LYS A 28 9.257 2.609 6.525 1.00 0.00 C ATOM 441 CD LYS A 28 10.001 1.510 5.784 1.00 0.00 C ATOM 442 CE LYS A 28 9.511 0.130 6.194 1.00 0.00 C ATOM 443 NZ LYS A 28 10.636 -0.772 6.562 1.00 0.00 N ATOM 0 H LYS A 28 8.865 2.492 3.354 1.00 0.00 H new ATOM 0 HA LYS A 28 8.668 5.134 4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.795 4.129 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.686 2.759 5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.973 3.265 7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.637 2.168 7.305 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.868 1.640 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.069 1.593 5.986 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.829 0.223 7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.944 -0.312 5.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.270 -1.730 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.326 -0.801 5.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.099 -0.416 7.422 1.00 0.00 H new ATOM 457 N GLU A 29 11.529 3.640 4.793 1.00 0.00 N ATOM 458 CA GLU A 29 12.900 3.835 5.247 1.00 0.00 C ATOM 459 C GLU A 29 13.606 4.895 4.405 1.00 0.00 C ATOM 460 O GLU A 29 14.236 5.809 4.938 1.00 0.00 O ATOM 461 CB GLU A 29 13.675 2.517 5.181 1.00 0.00 C ATOM 462 CG GLU A 29 13.490 1.641 6.409 1.00 0.00 C ATOM 463 CD GLU A 29 14.782 1.430 7.175 1.00 0.00 C ATOM 464 OE1 GLU A 29 15.164 2.329 7.954 1.00 0.00 O ATOM 465 OE2 GLU A 29 15.410 0.366 6.996 1.00 0.00 O ATOM 0 H GLU A 29 11.379 2.783 4.261 1.00 0.00 H new ATOM 0 HA GLU A 29 12.868 4.178 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 29 13.358 1.962 4.298 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.736 2.735 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 29 12.751 2.097 7.068 1.00 0.00 H new ATOM 0 HG3 GLU A 29 13.091 0.674 6.104 1.00 0.00 H new ATOM 472 N VAL A 30 13.497 4.764 3.087 1.00 0.00 N ATOM 473 CA VAL A 30 14.124 5.710 2.171 1.00 0.00 C ATOM 474 C VAL A 30 13.573 7.117 2.372 1.00 0.00 C ATOM 475 O VAL A 30 14.319 8.096 2.349 1.00 0.00 O ATOM 476 CB VAL A 30 13.914 5.293 0.703 1.00 0.00 C ATOM 477 CG1 VAL A 30 14.689 6.211 -0.229 1.00 0.00 C ATOM 478 CG2 VAL A 30 14.324 3.842 0.498 1.00 0.00 C ATOM 0 H VAL A 30 12.981 4.013 2.630 1.00 0.00 H new ATOM 0 HA VAL A 30 15.191 5.706 2.393 1.00 0.00 H new ATOM 0 HB VAL A 30 12.854 5.385 0.465 1.00 0.00 H new ATOM 0 HG11 VAL A 30 14.528 5.901 -1.262 1.00 0.00 H new ATOM 0 HG12 VAL A 30 14.343 7.237 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 30 15.752 6.155 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 30 14.169 3.564 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 30 15.377 3.722 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 30 13.720 3.199 1.138 1.00 0.00 H new ATOM 488 N MET A 31 12.262 7.211 2.568 1.00 0.00 N ATOM 489 CA MET A 31 11.610 8.499 2.775 1.00 0.00 C ATOM 490 C MET A 31 12.036 9.117 4.103 1.00 0.00 C ATOM 491 O MET A 31 12.304 10.316 4.184 1.00 0.00 O ATOM 492 CB MET A 31 10.089 8.337 2.739 1.00 0.00 C ATOM 493 CG MET A 31 9.389 8.902 3.964 1.00 0.00 C ATOM 494 SD MET A 31 9.518 10.697 4.072 1.00 0.00 S ATOM 495 CE MET A 31 9.341 11.153 2.349 1.00 0.00 C ATOM 0 H MET A 31 11.630 6.411 2.588 1.00 0.00 H new ATOM 0 HA MET A 31 11.916 9.166 1.969 1.00 0.00 H new ATOM 0 HB2 MET A 31 9.700 8.831 1.848 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.847 7.278 2.648 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.337 8.618 3.940 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.819 8.456 4.861 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.133 12.220 2.275 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.264 10.925 1.816 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.518 10.591 1.907 1.00 0.00 H new ATOM 505 N HIS A 32 12.096 8.290 5.143 1.00 0.00 N ATOM 506 CA HIS A 32 12.489 8.756 6.468 1.00 0.00 C ATOM 507 C HIS A 32 13.863 9.418 6.425 1.00 0.00 C ATOM 508 O HIS A 32 14.142 10.343 7.189 1.00 0.00 O ATOM 509 CB HIS A 32 12.502 7.591 7.458 1.00 0.00 C ATOM 510 CG HIS A 32 12.226 8.004 8.871 1.00 0.00 C ATOM 511 ND1 HIS A 32 11.172 7.505 9.608 1.00 0.00 N ATOM 512 CD2 HIS A 32 12.874 8.871 9.683 1.00 0.00 C ATOM 513 CE1 HIS A 32 11.183 8.050 10.812 1.00 0.00 C ATOM 514 NE2 HIS A 32 12.206 8.882 10.883 1.00 0.00 N ATOM 0 H HIS A 32 11.878 7.295 5.093 1.00 0.00 H new ATOM 0 HA HIS A 32 11.759 9.495 6.798 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.758 6.856 7.151 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.474 7.099 7.415 1.00 0.00 H new ATOM 0 HD2 HIS A 32 13.753 9.447 9.434 1.00 0.00 H new ATOM 0 HE1 HIS A 32 10.476 7.849 11.603 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.459 9.442 11.697 1.00 0.00 H new ATOM 522 N TYR A 33 14.718 8.938 5.529 1.00 0.00 N ATOM 523 CA TYR A 33 16.064 9.481 5.389 1.00 0.00 C ATOM 524 C TYR A 33 16.034 10.838 4.691 1.00 0.00 C ATOM 525 O TYR A 33 16.844 11.718 4.985 1.00 0.00 O ATOM 526 CB TYR A 33 16.949 8.511 4.604 1.00 0.00 C ATOM 527 CG TYR A 33 17.137 7.176 5.288 1.00 0.00 C ATOM 528 CD1 TYR A 33 17.431 7.102 6.644 1.00 0.00 C ATOM 529 CD2 TYR A 33 17.020 5.987 4.578 1.00 0.00 C ATOM 530 CE1 TYR A 33 17.605 5.884 7.272 1.00 0.00 C ATOM 531 CE2 TYR A 33 17.191 4.764 5.198 1.00 0.00 C ATOM 532 CZ TYR A 33 17.483 4.718 6.545 1.00 0.00 C ATOM 533 OH TYR A 33 17.654 3.503 7.167 1.00 0.00 O ATOM 0 H TYR A 33 14.503 8.174 4.889 1.00 0.00 H new ATOM 0 HA TYR A 33 16.480 9.615 6.388 1.00 0.00 H new ATOM 0 HB2 TYR A 33 16.510 8.347 3.620 1.00 0.00 H new ATOM 0 HB3 TYR A 33 17.925 8.970 4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 33 17.525 8.013 7.217 1.00 0.00 H new ATOM 0 HD2 TYR A 33 16.791 6.019 3.523 1.00 0.00 H new ATOM 0 HE1 TYR A 33 17.835 5.845 8.326 1.00 0.00 H new ATOM 0 HE2 TYR A 33 17.097 3.850 4.631 1.00 0.00 H new ATOM 0 HH TYR A 33 17.773 2.803 6.491 1.00 0.00 H new ATOM 543 N LEU A 34 15.095 10.999 3.766 1.00 0.00 N ATOM 544 CA LEU A 34 14.957 12.249 3.026 1.00 0.00 C ATOM 545 C LEU A 34 14.852 13.437 3.977 1.00 0.00 C ATOM 546 O LEU A 34 15.632 14.384 3.892 1.00 0.00 O ATOM 547 CB LEU A 34 13.725 12.195 2.120 1.00 0.00 C ATOM 548 CG LEU A 34 13.999 12.067 0.621 1.00 0.00 C ATOM 549 CD1 LEU A 34 14.941 13.166 0.155 1.00 0.00 C ATOM 550 CD2 LEU A 34 14.576 10.696 0.299 1.00 0.00 C ATOM 0 H LEU A 34 14.418 10.280 3.510 1.00 0.00 H new ATOM 0 HA LEU A 34 15.847 12.378 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 34 13.108 11.351 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.137 13.098 2.286 1.00 0.00 H new ATOM 0 HG LEU A 34 13.054 12.176 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 34 15.125 13.059 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.490 14.139 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 34 15.885 13.089 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 34 14.765 10.623 -0.772 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.511 10.558 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.866 9.924 0.596 1.00 0.00 H new ATOM 562 N GLY A 35 13.882 13.378 4.884 1.00 0.00 N ATOM 563 CA GLY A 35 13.693 14.454 5.839 1.00 0.00 C ATOM 564 C GLY A 35 14.961 14.777 6.606 1.00 0.00 C ATOM 565 O GLY A 35 15.341 15.942 6.725 1.00 0.00 O ATOM 0 H GLY A 35 13.224 12.604 4.974 1.00 0.00 H new ATOM 0 HA2 GLY A 35 13.352 15.346 5.314 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.907 14.178 6.542 1.00 0.00 H new ATOM 569 N GLN A 36 15.615 13.744 7.127 1.00 0.00 N ATOM 570 CA GLN A 36 16.845 13.925 7.888 1.00 0.00 C ATOM 571 C GLN A 36 17.937 14.543 7.019 1.00 0.00 C ATOM 572 O GLN A 36 18.641 15.457 7.447 1.00 0.00 O ATOM 573 CB GLN A 36 17.323 12.586 8.452 1.00 0.00 C ATOM 574 CG GLN A 36 16.425 12.033 9.547 1.00 0.00 C ATOM 575 CD GLN A 36 16.602 12.757 10.868 1.00 0.00 C ATOM 576 OE1 GLN A 36 15.730 13.514 11.295 1.00 0.00 O ATOM 577 NE2 GLN A 36 17.734 12.527 11.522 1.00 0.00 N ATOM 0 H GLN A 36 15.314 12.774 7.036 1.00 0.00 H new ATOM 0 HA GLN A 36 16.635 14.605 8.714 1.00 0.00 H new ATOM 0 HB2 GLN A 36 17.383 11.860 7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.332 12.707 8.847 1.00 0.00 H new ATOM 0 HG2 GLN A 36 15.384 12.110 9.232 1.00 0.00 H new ATOM 0 HG3 GLN A 36 16.639 10.973 9.686 1.00 0.00 H new ATOM 0 HE21 GLN A 36 18.429 11.892 11.130 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.909 12.986 12.416 1.00 0.00 H new ATOM 586 N TYR A 37 18.071 14.037 5.799 1.00 0.00 N ATOM 587 CA TYR A 37 19.078 14.537 4.871 1.00 0.00 C ATOM 588 C TYR A 37 18.947 16.045 4.685 1.00 0.00 C ATOM 589 O TYR A 37 19.916 16.788 4.842 1.00 0.00 O ATOM 590 CB TYR A 37 18.951 13.832 3.519 1.00 0.00 C ATOM 591 CG TYR A 37 19.925 14.338 2.479 1.00 0.00 C ATOM 592 CD1 TYR A 37 21.278 14.033 2.558 1.00 0.00 C ATOM 593 CD2 TYR A 37 19.491 15.120 1.415 1.00 0.00 C ATOM 594 CE1 TYR A 37 22.171 14.493 1.610 1.00 0.00 C ATOM 595 CE2 TYR A 37 20.377 15.584 0.462 1.00 0.00 C ATOM 596 CZ TYR A 37 21.716 15.268 0.564 1.00 0.00 C ATOM 597 OH TYR A 37 22.602 15.728 -0.383 1.00 0.00 O ATOM 0 H TYR A 37 17.495 13.281 5.429 1.00 0.00 H new ATOM 0 HA TYR A 37 20.061 14.325 5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 37 19.106 12.762 3.660 1.00 0.00 H new ATOM 0 HB3 TYR A 37 17.935 13.960 3.146 1.00 0.00 H new ATOM 0 HD1 TYR A 37 21.638 13.425 3.375 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.443 15.369 1.332 1.00 0.00 H new ATOM 0 HE1 TYR A 37 23.220 14.247 1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 37 20.023 16.191 -0.358 1.00 0.00 H new ATOM 0 HH TYR A 37 22.120 16.258 -1.052 1.00 0.00 H new ATOM 607 N ILE A 38 17.741 16.490 4.349 1.00 0.00 N ATOM 608 CA ILE A 38 17.481 17.910 4.143 1.00 0.00 C ATOM 609 C ILE A 38 17.806 18.716 5.396 1.00 0.00 C ATOM 610 O ILE A 38 18.563 19.684 5.344 1.00 0.00 O ATOM 611 CB ILE A 38 16.013 18.162 3.750 1.00 0.00 C ATOM 612 CG1 ILE A 38 15.675 17.423 2.454 1.00 0.00 C ATOM 613 CG2 ILE A 38 15.754 19.654 3.599 1.00 0.00 C ATOM 614 CD1 ILE A 38 14.190 17.316 2.189 1.00 0.00 C ATOM 0 H ILE A 38 16.929 15.888 4.214 1.00 0.00 H new ATOM 0 HA ILE A 38 18.128 18.234 3.328 1.00 0.00 H new ATOM 0 HB ILE A 38 15.369 17.780 4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 38 16.149 17.937 1.618 1.00 0.00 H new ATOM 0 HG13 ILE A 38 16.102 16.421 2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 38 14.713 19.816 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 38 15.960 20.157 4.544 1.00 0.00 H new ATOM 0 HG23 ILE A 38 16.404 20.059 2.823 1.00 0.00 H new ATOM 0 HD11 ILE A 38 14.025 16.780 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 38 13.713 16.775 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 38 13.761 18.315 2.115 1.00 0.00 H new ATOM 626 N MET A 39 17.229 18.307 6.522 1.00 0.00 N ATOM 627 CA MET A 39 17.460 18.990 7.790 1.00 0.00 C ATOM 628 C MET A 39 18.948 19.031 8.122 1.00 0.00 C ATOM 629 O MET A 39 19.459 20.040 8.607 1.00 0.00 O ATOM 630 CB MET A 39 16.693 18.293 8.915 1.00 0.00 C ATOM 631 CG MET A 39 17.586 17.510 9.864 1.00 0.00 C ATOM 632 SD MET A 39 16.658 16.704 11.184 1.00 0.00 S ATOM 633 CE MET A 39 15.643 18.062 11.762 1.00 0.00 C ATOM 0 H MET A 39 16.599 17.507 6.582 1.00 0.00 H new ATOM 0 HA MET A 39 17.099 20.014 7.694 1.00 0.00 H new ATOM 0 HB2 MET A 39 16.139 19.040 9.483 1.00 0.00 H new ATOM 0 HB3 MET A 39 15.959 17.616 8.478 1.00 0.00 H new ATOM 0 HG2 MET A 39 18.137 16.757 9.300 1.00 0.00 H new ATOM 0 HG3 MET A 39 18.323 18.183 10.302 1.00 0.00 H new ATOM 0 HE1 MET A 39 15.172 17.788 12.706 1.00 0.00 H new ATOM 0 HE2 MET A 39 16.266 18.944 11.910 1.00 0.00 H new ATOM 0 HE3 MET A 39 14.873 18.281 11.022 1.00 0.00 H new ATOM 643 N VAL A 40 19.640 17.927 7.858 1.00 0.00 N ATOM 644 CA VAL A 40 21.070 17.837 8.128 1.00 0.00 C ATOM 645 C VAL A 40 21.872 18.651 7.119 1.00 0.00 C ATOM 646 O VAL A 40 22.928 19.194 7.443 1.00 0.00 O ATOM 647 CB VAL A 40 21.556 16.376 8.095 1.00 0.00 C ATOM 648 CG1 VAL A 40 22.343 16.104 6.822 1.00 0.00 C ATOM 649 CG2 VAL A 40 22.395 16.066 9.326 1.00 0.00 C ATOM 0 H VAL A 40 19.233 17.082 7.457 1.00 0.00 H new ATOM 0 HA VAL A 40 21.230 18.243 9.127 1.00 0.00 H new ATOM 0 HB VAL A 40 20.685 15.721 8.102 1.00 0.00 H new ATOM 0 HG11 VAL A 40 22.678 15.067 6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 40 21.707 16.285 5.955 1.00 0.00 H new ATOM 0 HG13 VAL A 40 23.208 16.765 6.781 1.00 0.00 H new ATOM 0 HG21 VAL A 40 22.730 15.030 9.286 1.00 0.00 H new ATOM 0 HG22 VAL A 40 23.261 16.727 9.352 1.00 0.00 H new ATOM 0 HG23 VAL A 40 21.795 16.219 10.223 1.00 0.00 H new ATOM 659 N LYS A 41 21.363 18.733 5.895 1.00 0.00 N ATOM 660 CA LYS A 41 22.029 19.483 4.837 1.00 0.00 C ATOM 661 C LYS A 41 21.709 20.971 4.940 1.00 0.00 C ATOM 662 O LYS A 41 22.391 21.804 4.343 1.00 0.00 O ATOM 663 CB LYS A 41 21.608 18.954 3.464 1.00 0.00 C ATOM 664 CG LYS A 41 22.652 18.068 2.807 1.00 0.00 C ATOM 665 CD LYS A 41 23.476 17.317 3.839 1.00 0.00 C ATOM 666 CE LYS A 41 24.834 17.968 4.051 1.00 0.00 C ATOM 667 NZ LYS A 41 25.931 17.180 3.424 1.00 0.00 N ATOM 0 H LYS A 41 20.490 18.289 5.611 1.00 0.00 H new ATOM 0 HA LYS A 41 23.104 19.351 4.956 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.681 18.391 3.570 1.00 0.00 H new ATOM 0 HB3 LYS A 41 21.396 19.798 2.808 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.161 17.356 2.144 1.00 0.00 H new ATOM 0 HG3 LYS A 41 23.310 18.678 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 41 22.935 17.286 4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 41 23.613 16.285 3.516 1.00 0.00 H new ATOM 0 HE2 LYS A 41 24.824 18.974 3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 41 25.025 18.070 5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 26.840 17.657 3.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 25.957 16.228 3.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 25.763 17.104 2.401 1.00 0.00 H new ATOM 681 N GLN A 42 20.669 21.297 5.701 1.00 0.00 N ATOM 682 CA GLN A 42 20.260 22.684 5.881 1.00 0.00 C ATOM 683 C GLN A 42 19.562 23.213 4.633 1.00 0.00 C ATOM 684 O GLN A 42 19.170 24.380 4.575 1.00 0.00 O ATOM 685 CB GLN A 42 21.473 23.557 6.210 1.00 0.00 C ATOM 686 CG GLN A 42 21.896 24.466 5.067 1.00 0.00 C ATOM 687 CD GLN A 42 23.309 24.187 4.592 1.00 0.00 C ATOM 688 OE1 GLN A 42 24.278 24.439 5.309 1.00 0.00 O ATOM 689 NE2 GLN A 42 23.433 23.663 3.379 1.00 0.00 N ATOM 0 H GLN A 42 20.095 20.619 6.202 1.00 0.00 H new ATOM 0 HA GLN A 42 19.556 22.723 6.712 1.00 0.00 H new ATOM 0 HB2 GLN A 42 21.245 24.168 7.083 1.00 0.00 H new ATOM 0 HB3 GLN A 42 22.310 22.914 6.481 1.00 0.00 H new ATOM 0 HG2 GLN A 42 21.205 24.341 4.233 1.00 0.00 H new ATOM 0 HG3 GLN A 42 21.823 25.505 5.388 1.00 0.00 H new ATOM 0 HE21 GLN A 42 22.602 23.470 2.819 1.00 0.00 H new ATOM 0 HE22 GLN A 42 24.359 23.453 3.006 1.00 0.00 H new ATOM 698 N LEU A 43 19.410 22.349 3.636 1.00 0.00 N ATOM 699 CA LEU A 43 18.759 22.729 2.387 1.00 0.00 C ATOM 700 C LEU A 43 17.257 22.905 2.587 1.00 0.00 C ATOM 701 O LEU A 43 16.451 22.266 1.910 1.00 0.00 O ATOM 702 CB LEU A 43 19.021 21.674 1.310 1.00 0.00 C ATOM 703 CG LEU A 43 19.350 22.206 -0.085 1.00 0.00 C ATOM 704 CD1 LEU A 43 18.751 23.590 -0.283 1.00 0.00 C ATOM 705 CD2 LEU A 43 20.856 22.239 -0.302 1.00 0.00 C ATOM 0 H LEU A 43 19.729 21.381 3.668 1.00 0.00 H new ATOM 0 HA LEU A 43 19.178 23.682 2.063 1.00 0.00 H new ATOM 0 HB2 LEU A 43 19.847 21.044 1.641 1.00 0.00 H new ATOM 0 HB3 LEU A 43 18.142 21.034 1.235 1.00 0.00 H new ATOM 0 HG LEU A 43 18.911 21.533 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 43 18.995 23.953 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 43 17.668 23.537 -0.171 1.00 0.00 H new ATOM 0 HD13 LEU A 43 19.160 24.273 0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 43 21.072 22.620 -1.300 1.00 0.00 H new ATOM 0 HD22 LEU A 43 21.317 22.889 0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 43 21.260 21.231 -0.204 1.00 0.00 H new ATOM 717 N TYR A 44 16.888 23.776 3.520 1.00 0.00 N ATOM 718 CA TYR A 44 15.483 24.036 3.809 1.00 0.00 C ATOM 719 C TYR A 44 15.334 25.195 4.789 1.00 0.00 C ATOM 720 O TYR A 44 16.309 25.641 5.393 1.00 0.00 O ATOM 721 CB TYR A 44 14.818 22.782 4.381 1.00 0.00 C ATOM 722 CG TYR A 44 15.173 22.514 5.826 1.00 0.00 C ATOM 723 CD1 TYR A 44 16.495 22.542 6.253 1.00 0.00 C ATOM 724 CD2 TYR A 44 14.187 22.231 6.763 1.00 0.00 C ATOM 725 CE1 TYR A 44 16.824 22.296 7.572 1.00 0.00 C ATOM 726 CE2 TYR A 44 14.507 21.986 8.085 1.00 0.00 C ATOM 727 CZ TYR A 44 15.827 22.019 8.484 1.00 0.00 C ATOM 728 OH TYR A 44 16.150 21.774 9.799 1.00 0.00 O ATOM 0 H TYR A 44 17.542 24.314 4.089 1.00 0.00 H new ATOM 0 HA TYR A 44 14.990 24.307 2.875 1.00 0.00 H new ATOM 0 HB2 TYR A 44 13.736 22.883 4.294 1.00 0.00 H new ATOM 0 HB3 TYR A 44 15.107 21.921 3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 44 17.278 22.760 5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 44 13.153 22.202 6.453 1.00 0.00 H new ATOM 0 HE1 TYR A 44 17.857 22.320 7.887 1.00 0.00 H new ATOM 0 HE2 TYR A 44 13.728 21.770 8.801 1.00 0.00 H new ATOM 0 HH TYR A 44 16.644 22.538 10.162 1.00 0.00 H new ATOM 738 N ASP A 45 14.106 25.679 4.941 1.00 0.00 N ATOM 739 CA ASP A 45 13.827 26.786 5.849 1.00 0.00 C ATOM 740 C ASP A 45 13.747 26.298 7.292 1.00 0.00 C ATOM 741 O ASP A 45 12.978 25.391 7.609 1.00 0.00 O ATOM 742 CB ASP A 45 12.520 27.477 5.458 1.00 0.00 C ATOM 743 CG ASP A 45 11.994 28.384 6.553 1.00 0.00 C ATOM 744 OD1 ASP A 45 12.815 29.051 7.216 1.00 0.00 O ATOM 745 OD2 ASP A 45 10.761 28.426 6.747 1.00 0.00 O ATOM 0 H ASP A 45 13.288 25.322 4.447 1.00 0.00 H new ATOM 0 HA ASP A 45 14.645 27.502 5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.678 28.061 4.551 1.00 0.00 H new ATOM 0 HB3 ASP A 45 11.769 26.722 5.224 1.00 0.00 H new ATOM 750 N GLN A 46 14.547 26.907 8.162 1.00 0.00 N ATOM 751 CA GLN A 46 14.568 26.533 9.571 1.00 0.00 C ATOM 752 C GLN A 46 13.276 26.954 10.265 1.00 0.00 C ATOM 753 O GLN A 46 12.906 26.396 11.297 1.00 0.00 O ATOM 754 CB GLN A 46 15.769 27.170 10.272 1.00 0.00 C ATOM 755 CG GLN A 46 17.014 26.298 10.259 1.00 0.00 C ATOM 756 CD GLN A 46 17.011 25.295 9.122 1.00 0.00 C ATOM 757 OE1 GLN A 46 17.120 24.089 9.344 1.00 0.00 O ATOM 758 NE2 GLN A 46 16.887 25.789 7.896 1.00 0.00 N ATOM 0 H GLN A 46 15.188 27.661 7.916 1.00 0.00 H new ATOM 0 HA GLN A 46 14.655 25.448 9.632 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.997 28.121 9.791 1.00 0.00 H new ATOM 0 HB3 GLN A 46 15.501 27.391 11.305 1.00 0.00 H new ATOM 0 HG2 GLN A 46 17.897 26.932 10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 46 17.091 25.766 11.207 1.00 0.00 H new ATOM 0 HE21 GLN A 46 16.799 26.796 7.758 1.00 0.00 H new ATOM 0 HE22 GLN A 46 16.879 25.162 7.092 1.00 0.00 H new ATOM 767 N GLN A 47 12.597 27.942 9.691 1.00 0.00 N ATOM 768 CA GLN A 47 11.348 28.438 10.256 1.00 0.00 C ATOM 769 C GLN A 47 10.168 27.585 9.803 1.00 0.00 C ATOM 770 O GLN A 47 9.129 27.548 10.459 1.00 0.00 O ATOM 771 CB GLN A 47 11.124 29.896 9.850 1.00 0.00 C ATOM 772 CG GLN A 47 12.404 30.712 9.780 1.00 0.00 C ATOM 773 CD GLN A 47 13.399 30.331 10.859 1.00 0.00 C ATOM 774 OE1 GLN A 47 13.236 30.693 12.025 1.00 0.00 O ATOM 775 NE2 GLN A 47 14.436 29.597 10.476 1.00 0.00 N ATOM 0 H GLN A 47 12.891 28.414 8.836 1.00 0.00 H new ATOM 0 HA GLN A 47 11.421 28.377 11.342 1.00 0.00 H new ATOM 0 HB2 GLN A 47 10.633 29.922 8.877 1.00 0.00 H new ATOM 0 HB3 GLN A 47 10.444 30.363 10.563 1.00 0.00 H new ATOM 0 HG2 GLN A 47 12.865 30.575 8.802 1.00 0.00 H new ATOM 0 HG3 GLN A 47 12.161 31.771 9.873 1.00 0.00 H new ATOM 0 HE21 GLN A 47 14.531 29.319 9.499 1.00 0.00 H new ATOM 0 HE22 GLN A 47 15.138 29.310 11.158 1.00 0.00 H new ATOM 784 N GLU A 48 10.338 26.900 8.675 1.00 0.00 N ATOM 785 CA GLU A 48 9.286 26.048 8.134 1.00 0.00 C ATOM 786 C GLU A 48 9.861 24.728 7.629 1.00 0.00 C ATOM 787 O GLU A 48 10.310 24.632 6.487 1.00 0.00 O ATOM 788 CB GLU A 48 8.552 26.765 6.999 1.00 0.00 C ATOM 789 CG GLU A 48 8.022 28.135 7.386 1.00 0.00 C ATOM 790 CD GLU A 48 6.637 28.074 8.000 1.00 0.00 C ATOM 791 OE1 GLU A 48 6.424 27.234 8.898 1.00 0.00 O ATOM 792 OE2 GLU A 48 5.767 28.866 7.581 1.00 0.00 O ATOM 0 H GLU A 48 11.193 26.919 8.120 1.00 0.00 H new ATOM 0 HA GLU A 48 8.579 25.833 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.229 26.873 6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.720 26.144 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.709 28.599 8.094 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.996 28.773 6.502 1.00 0.00 H new ATOM 799 N GLN A 49 9.843 23.714 8.488 1.00 0.00 N ATOM 800 CA GLN A 49 10.364 22.400 8.130 1.00 0.00 C ATOM 801 C GLN A 49 9.545 21.779 7.003 1.00 0.00 C ATOM 802 O GLN A 49 10.017 20.888 6.297 1.00 0.00 O ATOM 803 CB GLN A 49 10.360 21.477 9.349 1.00 0.00 C ATOM 804 CG GLN A 49 11.410 21.835 10.388 1.00 0.00 C ATOM 805 CD GLN A 49 10.839 22.635 11.542 1.00 0.00 C ATOM 806 OE1 GLN A 49 9.885 22.211 12.194 1.00 0.00 O ATOM 807 NE2 GLN A 49 11.423 23.799 11.802 1.00 0.00 N ATOM 0 H GLN A 49 9.473 23.777 9.437 1.00 0.00 H new ATOM 0 HA GLN A 49 11.389 22.525 7.783 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.375 21.508 9.815 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.524 20.451 9.018 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.862 20.921 10.773 1.00 0.00 H new ATOM 0 HG3 GLN A 49 12.206 22.408 9.912 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.212 24.112 11.236 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.083 24.380 12.568 1.00 0.00 H new ATOM 816 N HIS A 50 8.314 22.254 6.841 1.00 0.00 N ATOM 817 CA HIS A 50 7.429 21.745 5.800 1.00 0.00 C ATOM 818 C HIS A 50 7.812 22.312 4.436 1.00 0.00 C ATOM 819 O HIS A 50 7.254 21.921 3.412 1.00 0.00 O ATOM 820 CB HIS A 50 5.975 22.095 6.121 1.00 0.00 C ATOM 821 CG HIS A 50 5.363 23.058 5.151 1.00 0.00 C ATOM 822 ND1 HIS A 50 5.373 24.424 5.339 1.00 0.00 N ATOM 823 CD2 HIS A 50 4.721 22.845 3.978 1.00 0.00 C ATOM 824 CE1 HIS A 50 4.761 25.009 4.324 1.00 0.00 C ATOM 825 NE2 HIS A 50 4.357 24.074 3.485 1.00 0.00 N ATOM 0 H HIS A 50 7.907 22.991 7.417 1.00 0.00 H new ATOM 0 HA HIS A 50 7.535 20.661 5.766 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.384 21.179 6.133 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.925 22.520 7.123 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.531 21.887 3.516 1.00 0.00 H new ATOM 0 HE1 HIS A 50 4.616 26.072 4.202 1.00 0.00 H new ATOM 0 HE2 HIS A 50 3.856 24.238 2.612 1.00 0.00 H new ATOM 833 N MET A 51 8.766 23.237 4.432 1.00 0.00 N ATOM 834 CA MET A 51 9.223 23.857 3.194 1.00 0.00 C ATOM 835 C MET A 51 10.666 23.465 2.890 1.00 0.00 C ATOM 836 O MET A 51 11.588 23.842 3.613 1.00 0.00 O ATOM 837 CB MET A 51 9.105 25.380 3.287 1.00 0.00 C ATOM 838 CG MET A 51 7.686 25.892 3.103 1.00 0.00 C ATOM 839 SD MET A 51 7.005 25.482 1.485 1.00 0.00 S ATOM 840 CE MET A 51 8.494 25.439 0.491 1.00 0.00 C ATOM 0 H MET A 51 9.237 23.574 5.272 1.00 0.00 H new ATOM 0 HA MET A 51 8.589 23.500 2.383 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.477 25.706 4.258 1.00 0.00 H new ATOM 0 HB3 MET A 51 9.747 25.833 2.531 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.048 25.470 3.879 1.00 0.00 H new ATOM 0 HG3 MET A 51 7.674 26.974 3.234 1.00 0.00 H new ATOM 0 HE1 MET A 51 8.228 25.482 -0.565 1.00 0.00 H new ATOM 0 HE2 MET A 51 9.124 26.293 0.742 1.00 0.00 H new ATOM 0 HE3 MET A 51 9.038 24.516 0.691 1.00 0.00 H new ATOM 850 N VAL A 52 10.854 22.706 1.815 1.00 0.00 N ATOM 851 CA VAL A 52 12.184 22.264 1.415 1.00 0.00 C ATOM 852 C VAL A 52 12.637 22.967 0.140 1.00 0.00 C ATOM 853 O VAL A 52 11.901 23.024 -0.845 1.00 0.00 O ATOM 854 CB VAL A 52 12.225 20.740 1.189 1.00 0.00 C ATOM 855 CG1 VAL A 52 13.544 20.330 0.552 1.00 0.00 C ATOM 856 CG2 VAL A 52 12.004 20.002 2.501 1.00 0.00 C ATOM 0 H VAL A 52 10.102 22.385 1.206 1.00 0.00 H new ATOM 0 HA VAL A 52 12.861 22.522 2.229 1.00 0.00 H new ATOM 0 HB VAL A 52 11.420 20.469 0.506 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.555 19.251 0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.656 20.833 -0.409 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.368 20.612 1.207 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.036 18.927 2.324 1.00 0.00 H new ATOM 0 HG22 VAL A 52 12.786 20.276 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 52 11.031 20.273 2.912 1.00 0.00 H new ATOM 866 N TYR A 53 13.853 23.502 0.167 1.00 0.00 N ATOM 867 CA TYR A 53 14.404 24.204 -0.986 1.00 0.00 C ATOM 868 C TYR A 53 15.422 23.334 -1.718 1.00 0.00 C ATOM 869 O TYR A 53 16.577 23.723 -1.891 1.00 0.00 O ATOM 870 CB TYR A 53 15.060 25.514 -0.546 1.00 0.00 C ATOM 871 CG TYR A 53 14.099 26.680 -0.483 1.00 0.00 C ATOM 872 CD1 TYR A 53 13.376 27.071 -1.603 1.00 0.00 C ATOM 873 CD2 TYR A 53 13.915 27.391 0.697 1.00 0.00 C ATOM 874 CE1 TYR A 53 12.498 28.136 -1.550 1.00 0.00 C ATOM 875 CE2 TYR A 53 13.038 28.456 0.759 1.00 0.00 C ATOM 876 CZ TYR A 53 12.332 28.825 -0.366 1.00 0.00 C ATOM 877 OH TYR A 53 11.458 29.887 -0.309 1.00 0.00 O ATOM 0 H TYR A 53 14.475 23.463 0.974 1.00 0.00 H new ATOM 0 HA TYR A 53 13.585 24.427 -1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 53 15.512 25.373 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 53 15.868 25.756 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 53 13.503 26.533 -2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 53 14.467 27.106 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.945 28.428 -2.430 1.00 0.00 H new ATOM 0 HE2 TYR A 53 12.906 28.997 1.684 1.00 0.00 H new ATOM 0 HH TYR A 53 11.457 30.262 0.596 1.00 0.00 H new ATOM 887 N CYS A 54 14.983 22.156 -2.147 1.00 0.00 N ATOM 888 CA CYS A 54 15.854 21.229 -2.861 1.00 0.00 C ATOM 889 C CYS A 54 16.705 21.967 -3.890 1.00 0.00 C ATOM 890 O CYS A 54 17.932 21.872 -3.878 1.00 0.00 O ATOM 891 CB CYS A 54 15.024 20.145 -3.551 1.00 0.00 C ATOM 892 SG CYS A 54 13.522 20.760 -4.346 1.00 0.00 S ATOM 0 H CYS A 54 14.029 21.820 -2.013 1.00 0.00 H new ATOM 0 HA CYS A 54 16.518 20.760 -2.135 1.00 0.00 H new ATOM 0 HB2 CYS A 54 15.642 19.651 -4.300 1.00 0.00 H new ATOM 0 HB3 CYS A 54 14.749 19.389 -2.815 1.00 0.00 H new ATOM 0 HG CYS A 54 12.481 20.234 -3.772 1.00 0.00 H new ATOM 898 N GLY A 55 16.045 22.700 -4.781 1.00 0.00 N ATOM 899 CA GLY A 55 16.756 23.441 -5.806 1.00 0.00 C ATOM 900 C GLY A 55 18.050 24.042 -5.293 1.00 0.00 C ATOM 901 O GLY A 55 18.054 25.131 -4.720 1.00 0.00 O ATOM 0 H GLY A 55 15.030 22.794 -4.811 1.00 0.00 H new ATOM 0 HA2 GLY A 55 16.973 22.779 -6.644 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.115 24.236 -6.186 1.00 0.00 H new ATOM 905 N GLY A 56 19.154 23.330 -5.499 1.00 0.00 N ATOM 906 CA GLY A 56 20.445 23.814 -5.046 1.00 0.00 C ATOM 907 C GLY A 56 21.407 22.688 -4.724 1.00 0.00 C ATOM 908 O GLY A 56 22.622 22.846 -4.845 1.00 0.00 O ATOM 0 H GLY A 56 19.177 22.426 -5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 56 20.881 24.451 -5.816 1.00 0.00 H new ATOM 0 HA3 GLY A 56 20.307 24.434 -4.160 1.00 0.00 H new ATOM 912 N ASP A 57 20.864 21.548 -4.312 1.00 0.00 N ATOM 913 CA ASP A 57 21.682 20.390 -3.971 1.00 0.00 C ATOM 914 C ASP A 57 21.323 19.193 -4.847 1.00 0.00 C ATOM 915 O ASP A 57 20.516 19.307 -5.771 1.00 0.00 O ATOM 916 CB ASP A 57 21.504 20.029 -2.496 1.00 0.00 C ATOM 917 CG ASP A 57 22.765 20.261 -1.687 1.00 0.00 C ATOM 918 OD1 ASP A 57 23.595 21.093 -2.109 1.00 0.00 O ATOM 919 OD2 ASP A 57 22.922 19.611 -0.632 1.00 0.00 O ATOM 0 H ASP A 57 19.860 21.401 -4.206 1.00 0.00 H new ATOM 0 HA ASP A 57 22.726 20.649 -4.150 1.00 0.00 H new ATOM 0 HB2 ASP A 57 20.692 20.622 -2.075 1.00 0.00 H new ATOM 0 HB3 ASP A 57 21.211 18.982 -2.414 1.00 0.00 H new ATOM 924 N LEU A 58 21.927 18.048 -4.551 1.00 0.00 N ATOM 925 CA LEU A 58 21.671 16.830 -5.312 1.00 0.00 C ATOM 926 C LEU A 58 20.173 16.596 -5.479 1.00 0.00 C ATOM 927 O LEU A 58 19.696 16.323 -6.582 1.00 0.00 O ATOM 928 CB LEU A 58 22.312 15.627 -4.617 1.00 0.00 C ATOM 929 CG LEU A 58 23.395 14.893 -5.408 1.00 0.00 C ATOM 930 CD1 LEU A 58 22.849 14.414 -6.744 1.00 0.00 C ATOM 931 CD2 LEU A 58 24.605 15.793 -5.617 1.00 0.00 C ATOM 0 H LEU A 58 22.597 17.937 -3.790 1.00 0.00 H new ATOM 0 HA LEU A 58 22.113 16.950 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 58 22.744 15.965 -3.675 1.00 0.00 H new ATOM 0 HB3 LEU A 58 21.525 14.914 -4.369 1.00 0.00 H new ATOM 0 HG LEU A 58 23.709 14.022 -4.834 1.00 0.00 H new ATOM 0 HD11 LEU A 58 23.634 13.894 -7.293 1.00 0.00 H new ATOM 0 HD12 LEU A 58 22.014 13.734 -6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 58 22.506 15.270 -7.325 1.00 0.00 H new ATOM 0 HD21 LEU A 58 25.366 15.254 -6.182 1.00 0.00 H new ATOM 0 HD22 LEU A 58 24.305 16.683 -6.170 1.00 0.00 H new ATOM 0 HD23 LEU A 58 25.011 16.087 -4.649 1.00 0.00 H new ATOM 943 N LEU A 59 19.436 16.708 -4.380 1.00 0.00 N ATOM 944 CA LEU A 59 17.991 16.511 -4.405 1.00 0.00 C ATOM 945 C LEU A 59 17.329 17.458 -5.402 1.00 0.00 C ATOM 946 O LEU A 59 16.392 17.080 -6.103 1.00 0.00 O ATOM 947 CB LEU A 59 17.402 16.729 -3.010 1.00 0.00 C ATOM 948 CG LEU A 59 17.452 18.162 -2.477 1.00 0.00 C ATOM 949 CD1 LEU A 59 16.588 18.299 -1.233 1.00 0.00 C ATOM 950 CD2 LEU A 59 18.888 18.570 -2.179 1.00 0.00 C ATOM 0 H LEU A 59 19.815 16.934 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 59 17.795 15.486 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 59 16.362 16.403 -3.021 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.931 16.083 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 59 17.057 18.829 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 59 16.636 19.325 -0.868 1.00 0.00 H new ATOM 0 HD12 LEU A 59 15.556 18.049 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 59 16.952 17.622 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 59 18.905 19.592 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 59 19.309 17.899 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 59 19.480 18.511 -3.092 1.00 0.00 H new ATOM 962 N GLY A 60 17.826 18.690 -5.460 1.00 0.00 N ATOM 963 CA GLY A 60 17.273 19.670 -6.375 1.00 0.00 C ATOM 964 C GLY A 60 17.500 19.301 -7.827 1.00 0.00 C ATOM 965 O GLY A 60 16.580 19.365 -8.642 1.00 0.00 O ATOM 0 H GLY A 60 18.602 19.026 -4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 60 16.203 19.770 -6.192 1.00 0.00 H new ATOM 0 HA3 GLY A 60 17.723 20.643 -6.176 1.00 0.00 H new ATOM 969 N GLU A 61 18.730 18.914 -8.153 1.00 0.00 N ATOM 970 CA GLU A 61 19.075 18.535 -9.518 1.00 0.00 C ATOM 971 C GLU A 61 18.306 17.289 -9.948 1.00 0.00 C ATOM 972 O GLU A 61 17.738 17.242 -11.040 1.00 0.00 O ATOM 973 CB GLU A 61 20.580 18.286 -9.637 1.00 0.00 C ATOM 974 CG GLU A 61 20.966 16.822 -9.511 1.00 0.00 C ATOM 975 CD GLU A 61 22.452 16.592 -9.703 1.00 0.00 C ATOM 976 OE1 GLU A 61 22.929 16.718 -10.850 1.00 0.00 O ATOM 977 OE2 GLU A 61 23.139 16.285 -8.706 1.00 0.00 O ATOM 0 H GLU A 61 19.503 18.855 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 61 18.797 19.357 -10.177 1.00 0.00 H new ATOM 0 HB2 GLU A 61 20.927 18.663 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 61 21.096 18.857 -8.865 1.00 0.00 H new ATOM 0 HG2 GLU A 61 20.669 16.455 -8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 61 20.414 16.240 -10.249 1.00 0.00 H new ATOM 984 N LEU A 62 18.293 16.282 -9.082 1.00 0.00 N ATOM 985 CA LEU A 62 17.595 15.034 -9.371 1.00 0.00 C ATOM 986 C LEU A 62 16.115 15.287 -9.640 1.00 0.00 C ATOM 987 O LEU A 62 15.570 14.836 -10.648 1.00 0.00 O ATOM 988 CB LEU A 62 17.753 14.056 -8.205 1.00 0.00 C ATOM 989 CG LEU A 62 17.794 12.573 -8.574 1.00 0.00 C ATOM 990 CD1 LEU A 62 16.590 12.200 -9.424 1.00 0.00 C ATOM 991 CD2 LEU A 62 19.088 12.240 -9.303 1.00 0.00 C ATOM 0 H LEU A 62 18.758 16.305 -8.174 1.00 0.00 H new ATOM 0 HA LEU A 62 18.039 14.598 -10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 62 18.671 14.303 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.928 14.214 -7.510 1.00 0.00 H new ATOM 0 HG LEU A 62 17.758 11.989 -7.654 1.00 0.00 H new ATOM 0 HD11 LEU A 62 16.637 11.141 -9.677 1.00 0.00 H new ATOM 0 HD12 LEU A 62 15.675 12.400 -8.866 1.00 0.00 H new ATOM 0 HD13 LEU A 62 16.594 12.792 -10.339 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.100 11.180 -9.558 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.155 12.833 -10.215 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.937 12.468 -8.659 1.00 0.00 H new ATOM 1003 N LEU A 63 15.470 16.013 -8.733 1.00 0.00 N ATOM 1004 CA LEU A 63 14.053 16.329 -8.873 1.00 0.00 C ATOM 1005 C LEU A 63 13.809 17.205 -10.098 1.00 0.00 C ATOM 1006 O LEU A 63 12.770 17.104 -10.749 1.00 0.00 O ATOM 1007 CB LEU A 63 13.542 17.036 -7.616 1.00 0.00 C ATOM 1008 CG LEU A 63 12.536 16.255 -6.770 1.00 0.00 C ATOM 1009 CD1 LEU A 63 12.634 16.667 -5.309 1.00 0.00 C ATOM 1010 CD2 LEU A 63 11.122 16.465 -7.291 1.00 0.00 C ATOM 0 H LEU A 63 15.906 16.394 -7.893 1.00 0.00 H new ATOM 0 HA LEU A 63 13.508 15.394 -9.004 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.399 17.284 -6.989 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.082 17.978 -7.915 1.00 0.00 H new ATOM 0 HG LEU A 63 12.775 15.194 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.911 16.101 -4.722 1.00 0.00 H new ATOM 0 HD12 LEU A 63 13.639 16.464 -4.940 1.00 0.00 H new ATOM 0 HD13 LEU A 63 12.422 17.732 -5.216 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.420 15.901 -6.676 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.872 17.525 -7.248 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.059 16.119 -8.323 1.00 0.00 H new ATOM 1022 N GLY A 64 14.776 18.064 -10.407 1.00 0.00 N ATOM 1023 CA GLY A 64 14.648 18.944 -11.554 1.00 0.00 C ATOM 1024 C GLY A 64 13.895 20.218 -11.226 1.00 0.00 C ATOM 1025 O GLY A 64 13.883 21.161 -12.018 1.00 0.00 O ATOM 0 H GLY A 64 15.645 18.166 -9.884 1.00 0.00 H new ATOM 0 HA2 GLY A 64 15.641 19.198 -11.926 1.00 0.00 H new ATOM 0 HA3 GLY A 64 14.132 18.417 -12.357 1.00 0.00 H new ATOM 1029 N ARG A 65 13.263 20.246 -10.057 1.00 0.00 N ATOM 1030 CA ARG A 65 12.501 21.413 -9.628 1.00 0.00 C ATOM 1031 C ARG A 65 13.403 22.420 -8.920 1.00 0.00 C ATOM 1032 O ARG A 65 14.608 22.466 -9.164 1.00 0.00 O ATOM 1033 CB ARG A 65 11.362 20.992 -8.699 1.00 0.00 C ATOM 1034 CG ARG A 65 10.635 19.738 -9.157 1.00 0.00 C ATOM 1035 CD ARG A 65 10.353 19.771 -10.651 1.00 0.00 C ATOM 1036 NE ARG A 65 9.918 18.472 -11.155 1.00 0.00 N ATOM 1037 CZ ARG A 65 8.673 18.021 -11.049 1.00 0.00 C ATOM 1038 NH1 ARG A 65 7.745 18.762 -10.461 1.00 0.00 N ATOM 1039 NH2 ARG A 65 8.355 16.828 -11.533 1.00 0.00 N ATOM 0 H ARG A 65 13.264 19.474 -9.390 1.00 0.00 H new ATOM 0 HA ARG A 65 12.081 21.887 -10.515 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.763 20.825 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.645 21.810 -8.623 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.236 18.860 -8.918 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.697 19.640 -8.611 1.00 0.00 H new ATOM 0 HD2 ARG A 65 9.585 20.516 -10.858 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.252 20.083 -11.183 1.00 0.00 H new ATOM 0 HE ARG A 65 10.608 17.878 -11.614 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.986 19.681 -10.089 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.790 18.414 -10.381 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.067 16.256 -11.987 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.399 16.483 -11.451 1.00 0.00 H new ATOM 1053 N GLN A 66 12.810 23.225 -8.045 1.00 0.00 N ATOM 1054 CA GLN A 66 13.559 24.232 -7.303 1.00 0.00 C ATOM 1055 C GLN A 66 13.250 24.152 -5.812 1.00 0.00 C ATOM 1056 O GLN A 66 14.142 24.290 -4.974 1.00 0.00 O ATOM 1057 CB GLN A 66 13.234 25.631 -7.829 1.00 0.00 C ATOM 1058 CG GLN A 66 13.824 25.917 -9.201 1.00 0.00 C ATOM 1059 CD GLN A 66 15.022 26.844 -9.138 1.00 0.00 C ATOM 1060 OE1 GLN A 66 14.930 28.020 -9.493 1.00 0.00 O ATOM 1061 NE2 GLN A 66 16.154 26.320 -8.685 1.00 0.00 N ATOM 0 H GLN A 66 11.813 23.200 -7.832 1.00 0.00 H new ATOM 0 HA GLN A 66 14.622 24.036 -7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.152 25.750 -7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.606 26.372 -7.121 1.00 0.00 H new ATOM 0 HG2 GLN A 66 14.120 24.978 -9.668 1.00 0.00 H new ATOM 0 HG3 GLN A 66 13.058 26.362 -9.836 1.00 0.00 H new ATOM 0 HE21 GLN A 66 16.185 25.341 -8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 66 16.993 26.897 -8.620 1.00 0.00 H new ATOM 1070 N SER A 67 11.981 23.928 -5.487 1.00 0.00 N ATOM 1071 CA SER A 67 11.553 23.834 -4.096 1.00 0.00 C ATOM 1072 C SER A 67 10.248 23.052 -3.981 1.00 0.00 C ATOM 1073 O SER A 67 9.384 23.131 -4.855 1.00 0.00 O ATOM 1074 CB SER A 67 11.378 25.231 -3.498 1.00 0.00 C ATOM 1075 OG SER A 67 10.087 25.747 -3.776 1.00 0.00 O ATOM 0 H SER A 67 11.231 23.808 -6.168 1.00 0.00 H new ATOM 0 HA SER A 67 12.325 23.303 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.532 25.190 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.136 25.901 -3.904 1.00 0.00 H new ATOM 0 HG SER A 67 10.000 26.640 -3.382 1.00 0.00 H new ATOM 1081 N PHE A 68 10.111 22.297 -2.896 1.00 0.00 N ATOM 1082 CA PHE A 68 8.913 21.499 -2.665 1.00 0.00 C ATOM 1083 C PHE A 68 8.555 21.471 -1.182 1.00 0.00 C ATOM 1084 O PHE A 68 9.425 21.598 -0.320 1.00 0.00 O ATOM 1085 CB PHE A 68 9.117 20.073 -3.179 1.00 0.00 C ATOM 1086 CG PHE A 68 10.285 19.370 -2.547 1.00 0.00 C ATOM 1087 CD1 PHE A 68 10.277 19.063 -1.196 1.00 0.00 C ATOM 1088 CD2 PHE A 68 11.390 19.016 -3.305 1.00 0.00 C ATOM 1089 CE1 PHE A 68 11.350 18.416 -0.612 1.00 0.00 C ATOM 1090 CE2 PHE A 68 12.465 18.369 -2.727 1.00 0.00 C ATOM 1091 CZ PHE A 68 12.445 18.069 -1.378 1.00 0.00 C ATOM 0 H PHE A 68 10.816 22.221 -2.162 1.00 0.00 H new ATOM 0 HA PHE A 68 8.090 21.960 -3.211 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.212 19.495 -2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 68 9.261 20.102 -4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 68 9.423 19.332 -0.592 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.411 19.249 -4.359 1.00 0.00 H new ATOM 0 HE1 PHE A 68 11.332 18.182 0.442 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.320 18.098 -3.329 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.285 17.564 -0.924 1.00 0.00 H new ATOM 1101 N SER A 69 7.268 21.305 -0.893 1.00 0.00 N ATOM 1102 CA SER A 69 6.794 21.265 0.486 1.00 0.00 C ATOM 1103 C SER A 69 6.645 19.825 0.967 1.00 0.00 C ATOM 1104 O SER A 69 6.125 18.969 0.251 1.00 0.00 O ATOM 1105 CB SER A 69 5.455 21.996 0.608 1.00 0.00 C ATOM 1106 OG SER A 69 5.421 23.140 -0.228 1.00 0.00 O ATOM 0 H SER A 69 6.536 21.196 -1.594 1.00 0.00 H new ATOM 0 HA SER A 69 7.532 21.765 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 69 4.643 21.321 0.339 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.293 22.294 1.644 1.00 0.00 H new ATOM 0 HG SER A 69 5.875 23.885 0.218 1.00 0.00 H new ATOM 1112 N VAL A 70 7.107 19.565 2.187 1.00 0.00 N ATOM 1113 CA VAL A 70 7.025 18.230 2.766 1.00 0.00 C ATOM 1114 C VAL A 70 5.590 17.882 3.145 1.00 0.00 C ATOM 1115 O VAL A 70 5.193 16.717 3.114 1.00 0.00 O ATOM 1116 CB VAL A 70 7.919 18.104 4.015 1.00 0.00 C ATOM 1117 CG1 VAL A 70 9.100 19.059 3.924 1.00 0.00 C ATOM 1118 CG2 VAL A 70 7.110 18.363 5.277 1.00 0.00 C ATOM 0 H VAL A 70 7.542 20.261 2.792 1.00 0.00 H new ATOM 0 HA VAL A 70 7.376 17.533 2.005 1.00 0.00 H new ATOM 0 HB VAL A 70 8.307 17.087 4.062 1.00 0.00 H new ATOM 0 HG11 VAL A 70 9.720 18.956 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.692 18.822 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.735 20.083 3.852 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.757 18.270 6.149 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.692 19.369 5.241 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.301 17.636 5.346 1.00 0.00 H new ATOM 1128 N LYS A 71 4.815 18.900 3.502 1.00 0.00 N ATOM 1129 CA LYS A 71 3.422 18.703 3.886 1.00 0.00 C ATOM 1130 C LYS A 71 2.579 18.290 2.683 1.00 0.00 C ATOM 1131 O LYS A 71 1.407 17.943 2.825 1.00 0.00 O ATOM 1132 CB LYS A 71 2.855 19.985 4.502 1.00 0.00 C ATOM 1133 CG LYS A 71 1.755 19.736 5.518 1.00 0.00 C ATOM 1134 CD LYS A 71 2.325 19.408 6.888 1.00 0.00 C ATOM 1135 CE LYS A 71 2.777 20.662 7.619 1.00 0.00 C ATOM 1136 NZ LYS A 71 1.988 20.896 8.860 1.00 0.00 N ATOM 0 H LYS A 71 5.128 19.870 3.534 1.00 0.00 H new ATOM 0 HA LYS A 71 3.385 17.903 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.664 20.536 4.982 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.466 20.620 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 71 1.118 20.618 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.125 18.914 5.179 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.572 18.891 7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.168 18.726 6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.834 20.574 7.872 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.678 21.523 6.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.450 21.632 9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.028 21.205 8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.935 20.014 9.409 1.00 0.00 H new ATOM 1150 N ASP A 72 3.185 18.327 1.501 1.00 0.00 N ATOM 1151 CA ASP A 72 2.491 17.954 0.274 1.00 0.00 C ATOM 1152 C ASP A 72 3.339 16.997 -0.559 1.00 0.00 C ATOM 1153 O ASP A 72 4.178 17.410 -1.360 1.00 0.00 O ATOM 1154 CB ASP A 72 2.152 19.200 -0.544 1.00 0.00 C ATOM 1155 CG ASP A 72 1.360 18.873 -1.795 1.00 0.00 C ATOM 1156 OD1 ASP A 72 0.876 17.727 -1.909 1.00 0.00 O ATOM 1157 OD2 ASP A 72 1.223 19.763 -2.660 1.00 0.00 O ATOM 0 H ASP A 72 4.155 18.612 1.367 1.00 0.00 H new ATOM 0 HA ASP A 72 1.566 17.447 0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.580 19.892 0.074 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.074 19.709 -0.824 1.00 0.00 H new ATOM 1162 N PRO A 73 3.116 15.689 -0.368 1.00 0.00 N ATOM 1163 CA PRO A 73 3.849 14.647 -1.093 1.00 0.00 C ATOM 1164 C PRO A 73 3.474 14.594 -2.570 1.00 0.00 C ATOM 1165 O PRO A 73 3.009 13.568 -3.066 1.00 0.00 O ATOM 1166 CB PRO A 73 3.423 13.357 -0.387 1.00 0.00 C ATOM 1167 CG PRO A 73 2.089 13.669 0.199 1.00 0.00 C ATOM 1168 CD PRO A 73 2.130 15.125 0.570 1.00 0.00 C ATOM 0 HA PRO A 73 4.925 14.822 -1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 73 3.363 12.524 -1.087 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.138 13.073 0.385 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.292 13.471 -0.518 1.00 0.00 H new ATOM 0 HG3 PRO A 73 1.892 13.049 1.074 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.153 15.596 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.435 15.267 1.607 1.00 0.00 H new ATOM 1176 N SER A 74 3.680 15.707 -3.267 1.00 0.00 N ATOM 1177 CA SER A 74 3.360 15.789 -4.688 1.00 0.00 C ATOM 1178 C SER A 74 4.602 15.544 -5.539 1.00 0.00 C ATOM 1179 O SER A 74 4.731 14.523 -6.215 1.00 0.00 O ATOM 1180 CB SER A 74 2.762 17.157 -5.020 1.00 0.00 C ATOM 1181 OG SER A 74 2.976 18.077 -3.963 1.00 0.00 O ATOM 0 H SER A 74 4.067 16.564 -2.871 1.00 0.00 H new ATOM 0 HA SER A 74 2.626 15.015 -4.915 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.210 17.541 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.693 17.055 -5.206 1.00 0.00 H new ATOM 0 HG SER A 74 2.731 18.978 -4.259 1.00 0.00 H new ATOM 1187 N PRO A 75 5.539 16.503 -5.507 1.00 0.00 N ATOM 1188 CA PRO A 75 6.788 16.416 -6.269 1.00 0.00 C ATOM 1189 C PRO A 75 7.726 15.345 -5.724 1.00 0.00 C ATOM 1190 O PRO A 75 8.621 14.872 -6.426 1.00 0.00 O ATOM 1191 CB PRO A 75 7.406 17.806 -6.098 1.00 0.00 C ATOM 1192 CG PRO A 75 6.839 18.318 -4.819 1.00 0.00 C ATOM 1193 CD PRO A 75 5.451 17.747 -4.724 1.00 0.00 C ATOM 0 HA PRO A 75 6.613 16.138 -7.308 1.00 0.00 H new ATOM 0 HB2 PRO A 75 8.494 17.753 -6.056 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.151 18.458 -6.933 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.448 18.007 -3.970 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.814 19.408 -4.812 1.00 0.00 H new ATOM 0 HD2 PRO A 75 5.167 17.552 -3.690 1.00 0.00 H new ATOM 0 HD3 PRO A 75 4.707 18.429 -5.136 1.00 0.00 H new ATOM 1201 N LEU A 76 7.517 14.966 -4.468 1.00 0.00 N ATOM 1202 CA LEU A 76 8.344 13.949 -3.827 1.00 0.00 C ATOM 1203 C LEU A 76 8.155 12.592 -4.497 1.00 0.00 C ATOM 1204 O LEU A 76 9.115 11.982 -4.969 1.00 0.00 O ATOM 1205 CB LEU A 76 8.003 13.848 -2.340 1.00 0.00 C ATOM 1206 CG LEU A 76 8.932 12.975 -1.496 1.00 0.00 C ATOM 1207 CD1 LEU A 76 10.215 13.721 -1.168 1.00 0.00 C ATOM 1208 CD2 LEU A 76 8.231 12.529 -0.220 1.00 0.00 C ATOM 0 H LEU A 76 6.782 15.348 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 76 9.388 14.245 -3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 76 8.001 14.854 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.988 13.461 -2.246 1.00 0.00 H new ATOM 0 HG LEU A 76 9.190 12.088 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 76 10.863 13.083 -0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 76 10.726 13.989 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.977 14.626 -0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.907 11.909 0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 76 7.943 13.404 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.341 11.954 -0.476 1.00 0.00 H new ATOM 1220 N TYR A 77 6.912 12.126 -4.537 1.00 0.00 N ATOM 1221 CA TYR A 77 6.596 10.841 -5.149 1.00 0.00 C ATOM 1222 C TYR A 77 6.963 10.838 -6.630 1.00 0.00 C ATOM 1223 O TYR A 77 7.426 9.830 -7.165 1.00 0.00 O ATOM 1224 CB TYR A 77 5.110 10.523 -4.980 1.00 0.00 C ATOM 1225 CG TYR A 77 4.774 9.891 -3.648 1.00 0.00 C ATOM 1226 CD1 TYR A 77 4.981 8.535 -3.428 1.00 0.00 C ATOM 1227 CD2 TYR A 77 4.249 10.651 -2.610 1.00 0.00 C ATOM 1228 CE1 TYR A 77 4.674 7.954 -2.213 1.00 0.00 C ATOM 1229 CE2 TYR A 77 3.941 10.079 -1.391 1.00 0.00 C ATOM 1230 CZ TYR A 77 4.155 8.730 -1.197 1.00 0.00 C ATOM 1231 OH TYR A 77 3.849 8.155 0.015 1.00 0.00 O ATOM 0 H TYR A 77 6.106 12.619 -4.153 1.00 0.00 H new ATOM 0 HA TYR A 77 7.184 10.074 -4.646 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.535 11.442 -5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.797 9.852 -5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.389 7.925 -4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.079 11.707 -2.759 1.00 0.00 H new ATOM 0 HE1 TYR A 77 4.839 6.898 -2.059 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.535 10.684 -0.594 1.00 0.00 H new ATOM 0 HH TYR A 77 3.495 8.839 0.621 1.00 0.00 H new ATOM 1241 N ASP A 78 6.754 11.974 -7.287 1.00 0.00 N ATOM 1242 CA ASP A 78 7.064 12.105 -8.706 1.00 0.00 C ATOM 1243 C ASP A 78 8.528 11.773 -8.975 1.00 0.00 C ATOM 1244 O ASP A 78 8.854 11.120 -9.966 1.00 0.00 O ATOM 1245 CB ASP A 78 6.752 13.522 -9.189 1.00 0.00 C ATOM 1246 CG ASP A 78 6.272 13.552 -10.627 1.00 0.00 C ATOM 1247 OD1 ASP A 78 7.036 13.120 -11.515 1.00 0.00 O ATOM 1248 OD2 ASP A 78 5.134 14.007 -10.863 1.00 0.00 O ATOM 0 H ASP A 78 6.371 12.817 -6.859 1.00 0.00 H new ATOM 0 HA ASP A 78 6.443 11.397 -9.255 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.990 13.962 -8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.645 14.140 -9.094 1.00 0.00 H new ATOM 1253 N MET A 79 9.406 12.229 -8.088 1.00 0.00 N ATOM 1254 CA MET A 79 10.836 11.980 -8.230 1.00 0.00 C ATOM 1255 C MET A 79 11.175 10.537 -7.868 1.00 0.00 C ATOM 1256 O MET A 79 11.850 9.839 -8.625 1.00 0.00 O ATOM 1257 CB MET A 79 11.633 12.941 -7.347 1.00 0.00 C ATOM 1258 CG MET A 79 13.128 12.667 -7.346 1.00 0.00 C ATOM 1259 SD MET A 79 13.918 13.125 -5.791 1.00 0.00 S ATOM 1260 CE MET A 79 12.846 12.306 -4.612 1.00 0.00 C ATOM 0 H MET A 79 9.153 12.773 -7.263 1.00 0.00 H new ATOM 0 HA MET A 79 11.107 12.147 -9.272 1.00 0.00 H new ATOM 0 HB2 MET A 79 11.459 13.962 -7.686 1.00 0.00 H new ATOM 0 HB3 MET A 79 11.259 12.877 -6.325 1.00 0.00 H new ATOM 0 HG2 MET A 79 13.299 11.608 -7.538 1.00 0.00 H new ATOM 0 HG3 MET A 79 13.595 13.218 -8.162 1.00 0.00 H new ATOM 0 HE1 MET A 79 13.450 11.841 -3.833 1.00 0.00 H new ATOM 0 HE2 MET A 79 12.174 13.037 -4.163 1.00 0.00 H new ATOM 0 HE3 MET A 79 12.261 11.541 -5.122 1.00 0.00 H new ATOM 1270 N LEU A 80 10.703 10.097 -6.706 1.00 0.00 N ATOM 1271 CA LEU A 80 10.957 8.737 -6.243 1.00 0.00 C ATOM 1272 C LEU A 80 10.512 7.715 -7.285 1.00 0.00 C ATOM 1273 O LEU A 80 11.102 6.642 -7.407 1.00 0.00 O ATOM 1274 CB LEU A 80 10.231 8.484 -4.921 1.00 0.00 C ATOM 1275 CG LEU A 80 10.562 9.445 -3.779 1.00 0.00 C ATOM 1276 CD1 LEU A 80 9.620 9.223 -2.605 1.00 0.00 C ATOM 1277 CD2 LEU A 80 12.010 9.277 -3.342 1.00 0.00 C ATOM 0 H LEU A 80 10.143 10.662 -6.068 1.00 0.00 H new ATOM 0 HA LEU A 80 12.030 8.626 -6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.158 8.526 -5.105 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.458 7.470 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 80 10.428 10.465 -4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.870 9.916 -1.802 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.592 9.395 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.721 8.199 -2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 80 12.227 9.969 -2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 80 12.171 8.254 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 80 12.671 9.487 -4.183 1.00 0.00 H new ATOM 1289 N ARG A 81 9.470 8.058 -8.035 1.00 0.00 N ATOM 1290 CA ARG A 81 8.947 7.171 -9.067 1.00 0.00 C ATOM 1291 C ARG A 81 10.082 6.529 -9.859 1.00 0.00 C ATOM 1292 O ARG A 81 10.121 5.311 -10.034 1.00 0.00 O ATOM 1293 CB ARG A 81 8.024 7.942 -10.012 1.00 0.00 C ATOM 1294 CG ARG A 81 8.572 8.077 -11.423 1.00 0.00 C ATOM 1295 CD ARG A 81 7.567 8.742 -12.350 1.00 0.00 C ATOM 1296 NE ARG A 81 7.262 7.912 -13.512 1.00 0.00 N ATOM 1297 CZ ARG A 81 8.048 7.823 -14.579 1.00 0.00 C ATOM 1298 NH1 ARG A 81 9.182 8.509 -14.630 1.00 0.00 N ATOM 1299 NH2 ARG A 81 7.702 7.045 -15.597 1.00 0.00 N ATOM 0 H ARG A 81 8.971 8.944 -7.947 1.00 0.00 H new ATOM 0 HA ARG A 81 8.377 6.381 -8.577 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.058 7.439 -10.053 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.848 8.937 -9.603 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.492 8.661 -11.403 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.829 7.091 -11.810 1.00 0.00 H new ATOM 0 HD2 ARG A 81 6.648 8.948 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.961 9.702 -12.684 1.00 0.00 H new ATOM 0 HE ARG A 81 6.398 7.371 -13.504 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.452 9.107 -13.849 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.784 8.439 -15.450 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.832 6.515 -15.561 1.00 0.00 H new ATOM 0 HH22 ARG A 81 8.307 6.978 -16.416 1.00 0.00 H new ATOM 1313 N LYS A 82 11.005 7.357 -10.336 1.00 0.00 N ATOM 1314 CA LYS A 82 12.143 6.872 -11.109 1.00 0.00 C ATOM 1315 C LYS A 82 13.421 6.908 -10.277 1.00 0.00 C ATOM 1316 O LYS A 82 14.487 6.509 -10.743 1.00 0.00 O ATOM 1317 CB LYS A 82 12.321 7.713 -12.375 1.00 0.00 C ATOM 1318 CG LYS A 82 13.452 8.722 -12.280 1.00 0.00 C ATOM 1319 CD LYS A 82 13.175 9.771 -11.216 1.00 0.00 C ATOM 1320 CE LYS A 82 11.858 10.489 -11.470 1.00 0.00 C ATOM 1321 NZ LYS A 82 12.004 11.968 -11.369 1.00 0.00 N ATOM 0 H LYS A 82 10.988 8.368 -10.201 1.00 0.00 H new ATOM 0 HA LYS A 82 11.944 5.838 -11.392 1.00 0.00 H new ATOM 0 HB2 LYS A 82 12.507 7.049 -13.219 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.391 8.241 -12.584 1.00 0.00 H new ATOM 0 HG2 LYS A 82 14.383 8.205 -12.049 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.589 9.209 -13.246 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.149 9.297 -10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.988 10.496 -11.198 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.487 10.228 -12.461 1.00 0.00 H new ATOM 0 HE3 LYS A 82 11.114 10.148 -10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.071 12.399 -11.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 12.634 12.201 -10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.409 12.338 -12.253 1.00 0.00 H new ATOM 1335 N ASN A 83 13.305 7.389 -9.043 1.00 0.00 N ATOM 1336 CA ASN A 83 14.452 7.476 -8.146 1.00 0.00 C ATOM 1337 C ASN A 83 14.485 6.289 -7.188 1.00 0.00 C ATOM 1338 O ASN A 83 15.473 5.555 -7.125 1.00 0.00 O ATOM 1339 CB ASN A 83 14.408 8.784 -7.354 1.00 0.00 C ATOM 1340 CG ASN A 83 14.922 8.619 -5.937 1.00 0.00 C ATOM 1341 OD1 ASN A 83 15.864 7.866 -5.690 1.00 0.00 O ATOM 1342 ND2 ASN A 83 14.304 9.325 -4.997 1.00 0.00 N ATOM 0 H ASN A 83 12.429 7.724 -8.642 1.00 0.00 H new ATOM 0 HA ASN A 83 15.358 7.456 -8.752 1.00 0.00 H new ATOM 0 HB2 ASN A 83 15.004 9.537 -7.869 1.00 0.00 H new ATOM 0 HB3 ASN A 83 13.383 9.154 -7.325 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.606 9.255 -4.025 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.527 9.937 -5.247 1.00 0.00 H new ATOM 1349 N LEU A 84 13.400 6.105 -6.445 1.00 0.00 N ATOM 1350 CA LEU A 84 13.303 5.006 -5.490 1.00 0.00 C ATOM 1351 C LEU A 84 13.422 3.660 -6.196 1.00 0.00 C ATOM 1352 O LEU A 84 12.440 3.128 -6.713 1.00 0.00 O ATOM 1353 CB LEU A 84 11.978 5.081 -4.730 1.00 0.00 C ATOM 1354 CG LEU A 84 12.076 5.424 -3.243 1.00 0.00 C ATOM 1355 CD1 LEU A 84 13.212 6.404 -2.995 1.00 0.00 C ATOM 1356 CD2 LEU A 84 10.758 5.994 -2.739 1.00 0.00 C ATOM 0 H LEU A 84 12.574 6.703 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 84 14.127 5.098 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 84 11.346 5.826 -5.213 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.471 4.121 -4.828 1.00 0.00 H new ATOM 0 HG LEU A 84 12.287 4.508 -2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 84 13.266 6.636 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 84 14.153 5.959 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 84 13.032 7.320 -3.558 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.846 6.232 -1.679 1.00 0.00 H new ATOM 0 HD22 LEU A 84 10.517 6.900 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.966 5.259 -2.881 1.00 0.00 H new ATOM 1368 N VAL A 85 14.633 3.111 -6.212 1.00 0.00 N ATOM 1369 CA VAL A 85 14.881 1.824 -6.851 1.00 0.00 C ATOM 1370 C VAL A 85 13.866 0.780 -6.397 1.00 0.00 C ATOM 1371 O VAL A 85 13.630 0.607 -5.201 1.00 0.00 O ATOM 1372 CB VAL A 85 16.301 1.310 -6.547 1.00 0.00 C ATOM 1373 CG1 VAL A 85 16.357 -0.205 -6.663 1.00 0.00 C ATOM 1374 CG2 VAL A 85 17.313 1.962 -7.476 1.00 0.00 C ATOM 0 H VAL A 85 15.458 3.538 -5.790 1.00 0.00 H new ATOM 0 HA VAL A 85 14.782 1.980 -7.925 1.00 0.00 H new ATOM 0 HB VAL A 85 16.555 1.581 -5.522 1.00 0.00 H new ATOM 0 HG11 VAL A 85 17.368 -0.549 -6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 85 15.661 -0.650 -5.953 1.00 0.00 H new ATOM 0 HG13 VAL A 85 16.083 -0.503 -7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 85 18.311 1.588 -7.247 1.00 0.00 H new ATOM 0 HG22 VAL A 85 17.064 1.724 -8.510 1.00 0.00 H new ATOM 0 HG23 VAL A 85 17.291 3.043 -7.337 1.00 0.00 H new ATOM 1499 N PHE B 119 11.173 18.087 12.128 1.00 0.00 N ATOM 1500 CA PHE B 119 10.783 17.495 10.854 1.00 0.00 C ATOM 1501 C PHE B 119 9.811 16.338 11.066 1.00 0.00 C ATOM 1502 O PHE B 119 8.828 16.197 10.338 1.00 0.00 O ATOM 1503 CB PHE B 119 12.018 17.005 10.095 1.00 0.00 C ATOM 1504 CG PHE B 119 11.952 17.256 8.616 1.00 0.00 C ATOM 1505 CD1 PHE B 119 10.737 17.490 7.993 1.00 0.00 C ATOM 1506 CD2 PHE B 119 13.106 17.259 7.848 1.00 0.00 C ATOM 1507 CE1 PHE B 119 10.673 17.721 6.632 1.00 0.00 C ATOM 1508 CE2 PHE B 119 13.048 17.491 6.487 1.00 0.00 C ATOM 1509 CZ PHE B 119 11.830 17.721 5.878 1.00 0.00 C ATOM 0 HA PHE B 119 10.283 18.263 10.264 1.00 0.00 H new ATOM 0 HB2 PHE B 119 12.902 17.497 10.500 1.00 0.00 H new ATOM 0 HB3 PHE B 119 12.141 15.936 10.269 1.00 0.00 H new ATOM 0 HD1 PHE B 119 9.829 17.492 8.578 1.00 0.00 H new ATOM 0 HD2 PHE B 119 14.061 17.078 8.319 1.00 0.00 H new ATOM 0 HE1 PHE B 119 9.719 17.901 6.159 1.00 0.00 H new ATOM 0 HE2 PHE B 119 13.955 17.492 5.900 1.00 0.00 H new ATOM 0 HZ PHE B 119 11.782 17.901 4.814 1.00 0.00 H new ATOM 1519 N SER B 120 10.093 15.513 12.069 1.00 0.00 N ATOM 1520 CA SER B 120 9.247 14.365 12.376 1.00 0.00 C ATOM 1521 C SER B 120 7.780 14.776 12.448 1.00 0.00 C ATOM 1522 O SER B 120 6.904 14.085 11.926 1.00 0.00 O ATOM 1523 CB SER B 120 9.676 13.729 13.700 1.00 0.00 C ATOM 1524 OG SER B 120 9.505 12.322 13.668 1.00 0.00 O ATOM 0 H SER B 120 10.901 15.618 12.683 1.00 0.00 H new ATOM 0 HA SER B 120 9.363 13.634 11.576 1.00 0.00 H new ATOM 0 HB2 SER B 120 10.721 13.967 13.900 1.00 0.00 H new ATOM 0 HB3 SER B 120 9.091 14.151 14.517 1.00 0.00 H new ATOM 0 HG SER B 120 9.788 11.939 14.524 1.00 0.00 H new ATOM 1530 N ASP B 121 7.519 15.905 13.097 1.00 0.00 N ATOM 1531 CA ASP B 121 6.158 16.410 13.237 1.00 0.00 C ATOM 1532 C ASP B 121 5.446 16.434 11.888 1.00 0.00 C ATOM 1533 O ASP B 121 4.473 15.709 11.674 1.00 0.00 O ATOM 1534 CB ASP B 121 6.172 17.813 13.845 1.00 0.00 C ATOM 1535 CG ASP B 121 4.776 18.349 14.096 1.00 0.00 C ATOM 1536 OD1 ASP B 121 3.803 17.607 13.848 1.00 0.00 O ATOM 1537 OD2 ASP B 121 4.657 19.510 14.541 1.00 0.00 O ATOM 0 H ASP B 121 8.232 16.488 13.535 1.00 0.00 H new ATOM 0 HA ASP B 121 5.615 15.739 13.903 1.00 0.00 H new ATOM 0 HB2 ASP B 121 6.725 17.793 14.784 1.00 0.00 H new ATOM 0 HB3 ASP B 121 6.703 18.490 13.176 1.00 0.00 H new ATOM 1542 N LEU B 122 5.936 17.272 10.981 1.00 0.00 N ATOM 1543 CA LEU B 122 5.346 17.392 9.652 1.00 0.00 C ATOM 1544 C LEU B 122 5.764 16.225 8.764 1.00 0.00 C ATOM 1545 O LEU B 122 4.919 15.507 8.228 1.00 0.00 O ATOM 1546 CB LEU B 122 5.762 18.714 9.006 1.00 0.00 C ATOM 1547 CG LEU B 122 5.860 19.919 9.943 1.00 0.00 C ATOM 1548 CD1 LEU B 122 6.241 21.170 9.167 1.00 0.00 C ATOM 1549 CD2 LEU B 122 4.547 20.127 10.683 1.00 0.00 C ATOM 0 H LEU B 122 6.740 17.878 11.141 1.00 0.00 H new ATOM 0 HA LEU B 122 4.261 17.373 9.759 1.00 0.00 H new ATOM 0 HB2 LEU B 122 6.731 18.572 8.527 1.00 0.00 H new ATOM 0 HB3 LEU B 122 5.048 18.950 8.217 1.00 0.00 H new ATOM 0 HG LEU B 122 6.641 19.721 10.678 1.00 0.00 H new ATOM 0 HD11 LEU B 122 6.306 22.017 9.851 1.00 0.00 H new ATOM 0 HD12 LEU B 122 7.206 21.019 8.684 1.00 0.00 H new ATOM 0 HD13 LEU B 122 5.484 21.373 8.409 1.00 0.00 H new ATOM 0 HD21 LEU B 122 4.635 20.988 11.345 1.00 0.00 H new ATOM 0 HD22 LEU B 122 3.748 20.303 9.963 1.00 0.00 H new ATOM 0 HD23 LEU B 122 4.316 19.239 11.272 1.00 0.00 H new ATOM 1561 N TRP B 123 7.070 16.040 8.615 1.00 0.00 N ATOM 1562 CA TRP B 123 7.600 14.957 7.793 1.00 0.00 C ATOM 1563 C TRP B 123 6.709 13.723 7.878 1.00 0.00 C ATOM 1564 O TRP B 123 6.226 13.222 6.863 1.00 0.00 O ATOM 1565 CB TRP B 123 9.022 14.606 8.231 1.00 0.00 C ATOM 1566 CG TRP B 123 9.773 13.797 7.217 1.00 0.00 C ATOM 1567 CD1 TRP B 123 10.297 12.548 7.390 1.00 0.00 C ATOM 1568 CD2 TRP B 123 10.086 14.183 5.875 1.00 0.00 C ATOM 1569 NE1 TRP B 123 10.916 12.134 6.236 1.00 0.00 N ATOM 1570 CE2 TRP B 123 10.801 13.118 5.291 1.00 0.00 C ATOM 1571 CE3 TRP B 123 9.831 15.323 5.108 1.00 0.00 C ATOM 1572 CZ2 TRP B 123 11.262 13.163 3.978 1.00 0.00 C ATOM 1573 CZ3 TRP B 123 10.290 15.366 3.805 1.00 0.00 C ATOM 1574 CH2 TRP B 123 10.998 14.292 3.250 1.00 0.00 C ATOM 0 H TRP B 123 7.782 16.625 9.052 1.00 0.00 H new ATOM 0 HA TRP B 123 7.620 15.297 6.757 1.00 0.00 H new ATOM 0 HB2 TRP B 123 9.571 15.526 8.430 1.00 0.00 H new ATOM 0 HB3 TRP B 123 8.979 14.051 9.168 1.00 0.00 H new ATOM 0 HD1 TRP B 123 10.234 11.971 8.300 1.00 0.00 H new ATOM 0 HE1 TRP B 123 11.386 11.238 6.104 1.00 0.00 H new ATOM 0 HE3 TRP B 123 9.285 16.156 5.526 1.00 0.00 H new ATOM 0 HZ2 TRP B 123 11.809 12.336 3.549 1.00 0.00 H new ATOM 0 HZ3 TRP B 123 10.100 16.243 3.204 1.00 0.00 H new ATOM 0 HH2 TRP B 123 11.342 14.356 2.228 1.00 0.00 H new ATOM 1585 N LYS B 124 6.494 13.237 9.096 1.00 0.00 N ATOM 1586 CA LYS B 124 5.659 12.062 9.315 1.00 0.00 C ATOM 1587 C LYS B 124 4.294 12.233 8.656 1.00 0.00 C ATOM 1588 O LYS B 124 3.783 11.316 8.013 1.00 0.00 O ATOM 1589 CB LYS B 124 5.485 11.805 10.814 1.00 0.00 C ATOM 1590 CG LYS B 124 6.722 11.227 11.479 1.00 0.00 C ATOM 1591 CD LYS B 124 6.489 9.800 11.946 1.00 0.00 C ATOM 1592 CE LYS B 124 6.668 8.806 10.809 1.00 0.00 C ATOM 1593 NZ LYS B 124 5.385 8.143 10.445 1.00 0.00 N ATOM 0 H LYS B 124 6.887 13.639 9.947 1.00 0.00 H new ATOM 0 HA LYS B 124 6.157 11.205 8.861 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.222 12.741 11.307 1.00 0.00 H new ATOM 0 HB3 LYS B 124 4.650 11.121 10.962 1.00 0.00 H new ATOM 0 HG2 LYS B 124 7.557 11.250 10.779 1.00 0.00 H new ATOM 0 HG3 LYS B 124 7.003 11.848 12.330 1.00 0.00 H new ATOM 0 HD2 LYS B 124 7.183 9.562 12.752 1.00 0.00 H new ATOM 0 HD3 LYS B 124 5.483 9.709 12.355 1.00 0.00 H new ATOM 0 HE2 LYS B 124 7.071 9.321 9.937 1.00 0.00 H new ATOM 0 HE3 LYS B 124 7.398 8.050 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 5.549 7.473 9.667 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 5.013 7.631 11.270 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 4.696 8.862 10.144 1.00 0.00 H new ATOM 1607 N LEU B 125 3.708 13.414 8.820 1.00 0.00 N ATOM 1608 CA LEU B 125 2.402 13.707 8.240 1.00 0.00 C ATOM 1609 C LEU B 125 2.269 13.084 6.854 1.00 0.00 C ATOM 1610 O LEU B 125 1.221 12.540 6.504 1.00 0.00 O ATOM 1611 CB LEU B 125 2.188 15.220 8.154 1.00 0.00 C ATOM 1612 CG LEU B 125 0.736 15.696 8.209 1.00 0.00 C ATOM 1613 CD1 LEU B 125 -0.146 14.827 7.326 1.00 0.00 C ATOM 1614 CD2 LEU B 125 0.227 15.691 9.644 1.00 0.00 C ATOM 0 H LEU B 125 4.116 14.184 9.350 1.00 0.00 H new ATOM 0 HA LEU B 125 1.639 13.274 8.887 1.00 0.00 H new ATOM 0 HB2 LEU B 125 2.735 15.691 8.970 1.00 0.00 H new ATOM 0 HB3 LEU B 125 2.632 15.577 7.225 1.00 0.00 H new ATOM 0 HG LEU B 125 0.695 16.718 7.833 1.00 0.00 H new ATOM 0 HD11 LEU B 125 -1.175 15.182 7.379 1.00 0.00 H new ATOM 0 HD12 LEU B 125 0.204 14.882 6.295 1.00 0.00 H new ATOM 0 HD13 LEU B 125 -0.100 13.794 7.670 1.00 0.00 H new ATOM 0 HD21 LEU B 125 -0.808 16.033 9.664 1.00 0.00 H new ATOM 0 HD22 LEU B 125 0.283 14.680 10.046 1.00 0.00 H new ATOM 0 HD23 LEU B 125 0.841 16.357 10.250 1.00 0.00 H new ATOM 1626 N LEU B 126 3.338 13.164 6.070 1.00 0.00 N ATOM 1627 CA LEU B 126 3.343 12.606 4.722 1.00 0.00 C ATOM 1628 C LEU B 126 3.640 11.110 4.754 1.00 0.00 C ATOM 1629 O LEU B 126 4.524 10.642 5.473 1.00 0.00 O ATOM 1630 CB LEU B 126 4.378 13.324 3.855 1.00 0.00 C ATOM 1631 CG LEU B 126 5.838 12.936 4.091 1.00 0.00 C ATOM 1632 CD1 LEU B 126 6.407 12.229 2.871 1.00 0.00 C ATOM 1633 CD2 LEU B 126 6.668 14.165 4.433 1.00 0.00 C ATOM 0 H LEU B 126 4.213 13.610 6.344 1.00 0.00 H new ATOM 0 HA LEU B 126 2.353 12.753 4.291 1.00 0.00 H new ATOM 0 HB2 LEU B 126 4.138 13.137 2.808 1.00 0.00 H new ATOM 0 HB3 LEU B 126 4.277 14.397 4.018 1.00 0.00 H new ATOM 0 HG LEU B 126 5.879 12.248 4.935 1.00 0.00 H new ATOM 0 HD11 LEU B 126 7.447 11.961 3.058 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.830 11.326 2.671 1.00 0.00 H new ATOM 0 HD13 LEU B 126 6.353 12.892 2.008 1.00 0.00 H new ATOM 0 HD21 LEU B 126 7.704 13.870 4.598 1.00 0.00 H new ATOM 0 HD22 LEU B 126 6.620 14.877 3.609 1.00 0.00 H new ATOM 0 HD23 LEU B 126 6.275 14.629 5.337 1.00 0.00 H new