USER MOD reduce.3.24.130724 H: found=0, std=0, add=870, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 871 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 52 TYR OH : rot 107:sc= 0.0367 USER MOD Set 1.2: A 65 GLN : amide:sc= -1.5 K(o=-1.5,f=-0.54) USER MOD Set 2.1: A 30 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 31 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 9 GLN : amide:sc= -2.43 K(o=-2.4,f=-8.1!) USER MOD Single : A 11 GLN : amide:sc= -0.156 K(o=-0.16,f=-2!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HE2:sc= -1.35 K(o=-1.3,f=-2.5!) USER MOD Single : A 23 ASN : amide:sc= -0.0393 X(o=-0.039,f=-0.039) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.9!) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl 141:sc= -1.06 (180deg=-1.85!) USER MOD Single : A 54 GLN : amide:sc= -7.33! C(o=-7.3!,f=-14!) USER MOD Single : A 55 THR OG1 : rot -73:sc= 0.382 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -54:sc= 0.602 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0405 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0413 X(o=-0.041,f=-0.021) USER MOD Single : A 70 LYS NZ :NH3+ -174:sc= 0.398 (180deg=0.391) USER MOD Single : A 73 THR OG1 : rot -80:sc= -1.02 USER MOD Single : A 76 SER OG : rot -26:sc= 0.0804 USER MOD Single : A 81 ASN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00169) USER MOD Single : A 84 LYS NZ :NH3+ -157:sc= -0.0571 (180deg=-0.387) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 30:sc= -0.509 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.0591 K(o=-0.059,f=-1.6!) USER MOD Single : A 100 GLN : amide:sc= -2.67! C(o=-2.7!,f=-3.7!) USER MOD Single : A 102 MET CE :methyl 162:sc= -0.0563 (180deg=-0.446) USER MOD Single : A 104 SER OG : rot 83:sc= 0.859 USER MOD Single : A 106 SER OG : rot 180:sc= 0.00121 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0598 USER MOD Single : A 111 THR OG1 : rot -166:sc= 1.22 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.239 USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -23.022 14.613 8.725 1.00 0.00 N ATOM 67 CA ARG A 8 -23.869 14.815 7.556 1.00 0.00 C ATOM 68 C ARG A 8 -23.122 14.458 6.274 1.00 0.00 C ATOM 69 O ARG A 8 -23.677 13.824 5.378 1.00 0.00 O ATOM 70 CB ARG A 8 -24.349 16.266 7.492 1.00 0.00 C ATOM 71 CG ARG A 8 -25.343 16.628 8.583 1.00 0.00 C ATOM 72 CD ARG A 8 -26.757 16.214 8.208 1.00 0.00 C ATOM 73 NE ARG A 8 -27.761 16.883 9.031 1.00 0.00 N ATOM 74 CZ ARG A 8 -29.029 16.494 9.106 1.00 0.00 C ATOM 75 NH1 ARG A 8 -29.446 15.445 8.411 1.00 0.00 N ATOM 76 NH2 ARG A 8 -29.882 17.155 9.878 1.00 0.00 N ATOM 0 HA ARG A 8 -24.733 14.157 7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -23.486 16.928 7.564 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -24.808 16.445 6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -25.055 16.141 9.515 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -25.313 17.703 8.762 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -26.936 16.446 7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -26.859 15.134 8.318 1.00 0.00 H new ATOM 0 HE ARG A 8 -27.473 17.694 9.579 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -28.793 14.934 7.817 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -30.420 15.148 8.470 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -29.564 17.962 10.414 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -30.855 16.856 9.935 1.00 0.00 H new ATOM 90 N GLN A 9 -21.861 14.870 6.196 1.00 0.00 N ATOM 91 CA GLN A 9 -21.039 14.595 5.024 1.00 0.00 C ATOM 92 C GLN A 9 -20.580 13.140 5.010 1.00 0.00 C ATOM 93 O GLN A 9 -20.160 12.621 3.976 1.00 0.00 O ATOM 94 CB GLN A 9 -19.825 15.525 4.996 1.00 0.00 C ATOM 95 CG GLN A 9 -18.946 15.342 3.770 1.00 0.00 C ATOM 96 CD GLN A 9 -19.562 15.931 2.517 1.00 0.00 C ATOM 97 OE1 GLN A 9 -20.778 16.104 2.431 1.00 0.00 O ATOM 98 NE2 GLN A 9 -18.723 16.245 1.536 1.00 0.00 N ATOM 0 H GLN A 9 -21.386 15.395 6.930 1.00 0.00 H new ATOM 0 HA GLN A 9 -21.646 14.774 4.136 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -20.169 16.559 5.035 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -19.226 15.354 5.891 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.978 15.810 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -18.762 14.279 3.615 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -17.722 16.085 1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.080 16.646 0.669 1.00 0.00 H new ATOM 107 N VAL A 10 -20.662 12.488 6.166 1.00 0.00 N ATOM 108 CA VAL A 10 -20.256 11.093 6.287 1.00 0.00 C ATOM 109 C VAL A 10 -20.690 10.287 5.068 1.00 0.00 C ATOM 110 O VAL A 10 -19.858 9.845 4.276 1.00 0.00 O ATOM 111 CB VAL A 10 -20.846 10.445 7.553 1.00 0.00 C ATOM 112 CG1 VAL A 10 -20.207 9.088 7.806 1.00 0.00 C ATOM 113 CG2 VAL A 10 -20.663 11.361 8.754 1.00 0.00 C ATOM 0 H VAL A 10 -21.006 12.904 7.032 1.00 0.00 H new ATOM 0 HA VAL A 10 -19.168 11.085 6.356 1.00 0.00 H new ATOM 0 HB VAL A 10 -21.914 10.294 7.399 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -20.637 8.645 8.705 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -20.393 8.434 6.954 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -19.132 9.211 7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -21.086 10.888 9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -19.600 11.545 8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -21.172 12.307 8.571 1.00 0.00 H new ATOM 123 N GLN A 11 -21.998 10.099 4.924 1.00 0.00 N ATOM 124 CA GLN A 11 -22.542 9.346 3.800 1.00 0.00 C ATOM 125 C GLN A 11 -22.694 10.235 2.571 1.00 0.00 C ATOM 126 O GLN A 11 -23.574 10.016 1.738 1.00 0.00 O ATOM 127 CB GLN A 11 -23.895 8.737 4.175 1.00 0.00 C ATOM 128 CG GLN A 11 -23.846 7.863 5.417 1.00 0.00 C ATOM 129 CD GLN A 11 -24.969 6.846 5.460 1.00 0.00 C ATOM 130 OE1 GLN A 11 -25.543 6.494 4.429 1.00 0.00 O ATOM 131 NE2 GLN A 11 -25.290 6.368 6.657 1.00 0.00 N ATOM 0 H GLN A 11 -22.700 10.458 5.571 1.00 0.00 H new ATOM 0 HA GLN A 11 -21.844 8.544 3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -24.614 9.541 4.335 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -24.261 8.143 3.337 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -22.889 7.343 5.453 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -23.899 8.495 6.304 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -24.788 6.688 7.485 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -26.039 5.681 6.748 1.00 0.00 H new ATOM 140 N LYS A 12 -21.831 11.240 2.463 1.00 0.00 N ATOM 141 CA LYS A 12 -21.868 12.163 1.335 1.00 0.00 C ATOM 142 C LYS A 12 -20.515 12.218 0.633 1.00 0.00 C ATOM 143 O LYS A 12 -20.445 12.365 -0.587 1.00 0.00 O ATOM 144 CB LYS A 12 -22.266 13.563 1.808 1.00 0.00 C ATOM 145 CG LYS A 12 -22.671 14.494 0.678 1.00 0.00 C ATOM 146 CD LYS A 12 -24.048 14.146 0.136 1.00 0.00 C ATOM 147 CE LYS A 12 -25.152 14.739 0.997 1.00 0.00 C ATOM 148 NZ LYS A 12 -26.488 14.181 0.648 1.00 0.00 N ATOM 0 H LYS A 12 -21.097 11.436 3.144 1.00 0.00 H new ATOM 0 HA LYS A 12 -22.612 11.801 0.625 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -23.094 13.478 2.512 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.430 14.005 2.350 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -22.669 15.524 1.035 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.937 14.434 -0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -24.143 14.516 -0.885 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -24.160 13.063 0.094 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -24.939 14.541 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -25.167 15.822 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -27.213 14.610 1.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -26.703 14.392 -0.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -26.482 13.151 0.790 1.00 0.00 H new ATOM 162 N GLU A 13 -19.444 12.097 1.411 1.00 0.00 N ATOM 163 CA GLU A 13 -18.094 12.132 0.862 1.00 0.00 C ATOM 164 C GLU A 13 -17.476 10.737 0.845 1.00 0.00 C ATOM 165 O GLU A 13 -16.791 10.360 -0.106 1.00 0.00 O ATOM 166 CB GLU A 13 -17.213 13.082 1.676 1.00 0.00 C ATOM 167 CG GLU A 13 -15.731 12.756 1.597 1.00 0.00 C ATOM 168 CD GLU A 13 -15.152 13.003 0.217 1.00 0.00 C ATOM 169 OE1 GLU A 13 -15.787 12.591 -0.776 1.00 0.00 O ATOM 170 OE2 GLU A 13 -14.064 13.610 0.131 1.00 0.00 O ATOM 0 H GLU A 13 -19.485 11.974 2.423 1.00 0.00 H new ATOM 0 HA GLU A 13 -18.157 12.495 -0.164 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.371 14.102 1.325 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.528 13.052 2.719 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.191 13.359 2.327 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.577 11.712 1.870 1.00 0.00 H new ATOM 177 N LEU A 14 -17.723 9.974 1.905 1.00 0.00 N ATOM 178 CA LEU A 14 -17.192 8.620 2.014 1.00 0.00 C ATOM 179 C LEU A 14 -17.137 7.945 0.647 1.00 0.00 C ATOM 180 O LEU A 14 -16.060 7.708 0.103 1.00 0.00 O ATOM 181 CB LEU A 14 -18.049 7.790 2.971 1.00 0.00 C ATOM 182 CG LEU A 14 -17.678 6.312 3.095 1.00 0.00 C ATOM 183 CD1 LEU A 14 -16.558 6.127 4.107 1.00 0.00 C ATOM 184 CD2 LEU A 14 -18.895 5.487 3.487 1.00 0.00 C ATOM 0 H LEU A 14 -18.288 10.271 2.701 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.178 8.685 2.408 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -17.994 8.242 3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -19.088 7.857 2.648 1.00 0.00 H new ATOM 0 HG LEU A 14 -17.325 5.963 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -16.307 5.069 4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.680 6.686 3.784 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -16.883 6.493 5.081 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -18.612 4.438 3.570 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -19.278 5.837 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -19.668 5.595 2.726 1.00 0.00 H new ATOM 196 N GLY A 15 -18.308 7.639 0.096 1.00 0.00 N ATOM 197 CA GLY A 15 -18.371 6.997 -1.203 1.00 0.00 C ATOM 198 C GLY A 15 -17.856 7.888 -2.316 1.00 0.00 C ATOM 199 O GLY A 15 -17.060 7.454 -3.149 1.00 0.00 O ATOM 0 H GLY A 15 -19.214 7.825 0.527 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -17.787 6.077 -1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.402 6.715 -1.416 1.00 0.00 H new ATOM 203 N ASP A 16 -18.313 9.135 -2.332 1.00 0.00 N ATOM 204 CA ASP A 16 -17.894 10.090 -3.352 1.00 0.00 C ATOM 205 C ASP A 16 -16.400 9.962 -3.635 1.00 0.00 C ATOM 206 O ASP A 16 -15.996 9.427 -4.667 1.00 0.00 O ATOM 207 CB ASP A 16 -18.222 11.517 -2.911 1.00 0.00 C ATOM 208 CG ASP A 16 -17.840 12.548 -3.955 1.00 0.00 C ATOM 209 OD1 ASP A 16 -16.633 12.840 -4.085 1.00 0.00 O ATOM 210 OD2 ASP A 16 -18.747 13.063 -4.641 1.00 0.00 O ATOM 0 H ASP A 16 -18.974 9.509 -1.650 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.440 9.868 -4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -19.289 11.593 -2.703 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -17.699 11.736 -1.980 1.00 0.00 H new ATOM 215 N VAL A 17 -15.584 10.459 -2.710 1.00 0.00 N ATOM 216 CA VAL A 17 -14.134 10.401 -2.859 1.00 0.00 C ATOM 217 C VAL A 17 -13.690 9.039 -3.381 1.00 0.00 C ATOM 218 O VAL A 17 -14.290 8.013 -3.060 1.00 0.00 O ATOM 219 CB VAL A 17 -13.421 10.684 -1.524 1.00 0.00 C ATOM 220 CG1 VAL A 17 -13.695 9.570 -0.525 1.00 0.00 C ATOM 221 CG2 VAL A 17 -11.926 10.858 -1.746 1.00 0.00 C ATOM 0 H VAL A 17 -15.902 10.906 -1.850 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.858 11.171 -3.580 1.00 0.00 H new ATOM 0 HB VAL A 17 -13.814 11.613 -1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -13.183 9.788 0.412 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -14.768 9.499 -0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -13.331 8.624 -0.926 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -11.437 11.057 -0.792 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -11.514 9.947 -2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -11.754 11.694 -2.424 1.00 0.00 H new ATOM 231 N LEU A 18 -12.634 9.037 -4.188 1.00 0.00 N ATOM 232 CA LEU A 18 -12.107 7.801 -4.755 1.00 0.00 C ATOM 233 C LEU A 18 -10.658 7.582 -4.332 1.00 0.00 C ATOM 234 O LEU A 18 -9.853 8.513 -4.333 1.00 0.00 O ATOM 235 CB LEU A 18 -12.205 7.835 -6.281 1.00 0.00 C ATOM 236 CG LEU A 18 -12.387 6.483 -6.972 1.00 0.00 C ATOM 237 CD1 LEU A 18 -13.856 6.088 -6.994 1.00 0.00 C ATOM 238 CD2 LEU A 18 -11.823 6.525 -8.385 1.00 0.00 C ATOM 0 H LEU A 18 -12.126 9.878 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.706 6.972 -4.377 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -13.041 8.477 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.301 8.302 -6.673 1.00 0.00 H new ATOM 0 HG LEU A 18 -11.838 5.731 -6.406 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -13.966 5.123 -7.490 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -14.229 6.016 -5.972 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.427 6.842 -7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.961 5.554 -8.861 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.343 7.290 -8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -10.760 6.761 -8.345 1.00 0.00 H new ATOM 250 N VAL A 19 -10.332 6.344 -3.973 1.00 0.00 N ATOM 251 CA VAL A 19 -8.979 6.001 -3.551 1.00 0.00 C ATOM 252 C VAL A 19 -8.243 5.228 -4.640 1.00 0.00 C ATOM 253 O VAL A 19 -8.772 4.267 -5.198 1.00 0.00 O ATOM 254 CB VAL A 19 -8.990 5.163 -2.259 1.00 0.00 C ATOM 255 CG1 VAL A 19 -7.581 4.713 -1.903 1.00 0.00 C ATOM 256 CG2 VAL A 19 -9.611 5.953 -1.117 1.00 0.00 C ATOM 0 H VAL A 19 -10.987 5.562 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.459 6.940 -3.362 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.598 4.274 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.608 4.122 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.177 4.107 -2.714 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.947 5.587 -1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.611 5.346 -0.212 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.032 6.860 -0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.636 6.220 -1.374 1.00 0.00 H new ATOM 266 N ARG A 20 -7.020 5.654 -4.936 1.00 0.00 N ATOM 267 CA ARG A 20 -6.211 5.003 -5.959 1.00 0.00 C ATOM 268 C ARG A 20 -5.088 4.186 -5.325 1.00 0.00 C ATOM 269 O ARG A 20 -4.182 4.738 -4.698 1.00 0.00 O ATOM 270 CB ARG A 20 -5.623 6.043 -6.914 1.00 0.00 C ATOM 271 CG ARG A 20 -6.632 6.600 -7.904 1.00 0.00 C ATOM 272 CD ARG A 20 -5.945 7.275 -9.080 1.00 0.00 C ATOM 273 NE ARG A 20 -5.680 6.340 -10.170 1.00 0.00 N ATOM 274 CZ ARG A 20 -5.462 6.717 -11.425 1.00 0.00 C ATOM 275 NH1 ARG A 20 -5.477 8.003 -11.747 1.00 0.00 N ATOM 276 NH2 ARG A 20 -5.228 5.807 -12.362 1.00 0.00 N ATOM 0 H ARG A 20 -6.567 6.447 -4.482 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.856 4.328 -6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.207 6.865 -6.331 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.797 5.592 -7.465 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.270 5.794 -8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -7.280 7.317 -7.400 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.570 8.090 -9.446 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.007 7.718 -8.746 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.661 5.343 -9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.656 8.706 -11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -5.309 8.289 -12.712 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.215 4.816 -12.119 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -5.061 6.098 -13.325 1.00 0.00 H new ATOM 290 N LEU A 21 -5.154 2.870 -5.492 1.00 0.00 N ATOM 291 CA LEU A 21 -4.143 1.977 -4.936 1.00 0.00 C ATOM 292 C LEU A 21 -3.063 1.667 -5.968 1.00 0.00 C ATOM 293 O LEU A 21 -3.300 0.935 -6.929 1.00 0.00 O ATOM 294 CB LEU A 21 -4.792 0.678 -4.454 1.00 0.00 C ATOM 295 CG LEU A 21 -3.982 -0.144 -3.450 1.00 0.00 C ATOM 296 CD1 LEU A 21 -3.688 0.676 -2.203 1.00 0.00 C ATOM 297 CD2 LEU A 21 -4.723 -1.423 -3.088 1.00 0.00 C ATOM 0 H LEU A 21 -5.896 2.398 -6.008 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.676 2.479 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.754 0.921 -4.002 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.997 0.053 -5.323 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.033 -0.416 -3.913 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -3.111 0.075 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.116 1.563 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.626 0.979 -1.737 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.132 -1.996 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -5.687 -1.172 -2.645 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.881 -2.019 -3.987 1.00 0.00 H new ATOM 309 N HIS A 22 -1.876 2.228 -5.761 1.00 0.00 N ATOM 310 CA HIS A 22 -0.758 2.009 -6.672 1.00 0.00 C ATOM 311 C HIS A 22 -0.118 0.646 -6.430 1.00 0.00 C ATOM 312 O HIS A 22 -0.135 0.132 -5.312 1.00 0.00 O ATOM 313 CB HIS A 22 0.287 3.113 -6.506 1.00 0.00 C ATOM 314 CG HIS A 22 -0.269 4.494 -6.671 1.00 0.00 C ATOM 315 ND1 HIS A 22 0.290 5.436 -7.508 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.343 5.090 -6.101 1.00 0.00 C ATOM 317 CE1 HIS A 22 -0.414 6.552 -7.445 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.411 6.368 -6.598 1.00 0.00 N ATOM 0 H HIS A 22 -1.663 2.837 -4.971 1.00 0.00 H new ATOM 0 HA HIS A 22 -1.143 2.034 -7.692 1.00 0.00 H new ATOM 0 HB2 HIS A 22 0.739 3.028 -5.518 1.00 0.00 H new ATOM 0 HB3 HIS A 22 1.083 2.961 -7.235 1.00 0.00 H new ATOM 0 HD1 HIS A 22 1.118 5.293 -8.086 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.020 4.643 -5.388 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.209 7.460 -7.993 1.00 0.00 H new ATOM 327 N ASN A 23 0.445 0.066 -7.484 1.00 0.00 N ATOM 328 CA ASN A 23 1.090 -1.239 -7.385 1.00 0.00 C ATOM 329 C ASN A 23 1.897 -1.351 -6.096 1.00 0.00 C ATOM 330 O ASN A 23 2.817 -0.573 -5.840 1.00 0.00 O ATOM 331 CB ASN A 23 2.001 -1.474 -8.592 1.00 0.00 C ATOM 332 CG ASN A 23 1.242 -1.440 -9.905 1.00 0.00 C ATOM 333 OD1 ASN A 23 0.511 -2.374 -10.236 1.00 0.00 O ATOM 334 ND2 ASN A 23 1.412 -0.361 -10.659 1.00 0.00 N ATOM 0 H ASN A 23 0.468 0.478 -8.417 1.00 0.00 H new ATOM 0 HA ASN A 23 0.311 -2.001 -7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.782 -0.714 -8.607 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.497 -2.439 -8.487 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.927 -0.282 -11.553 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.028 0.389 -10.345 1.00 0.00 H new ATOM 341 N PRO A 24 1.547 -2.341 -5.262 1.00 0.00 N ATOM 342 CA PRO A 24 2.226 -2.579 -3.985 1.00 0.00 C ATOM 343 C PRO A 24 3.644 -3.107 -4.173 1.00 0.00 C ATOM 344 O PRO A 24 3.871 -4.317 -4.181 1.00 0.00 O ATOM 345 CB PRO A 24 1.348 -3.634 -3.307 1.00 0.00 C ATOM 346 CG PRO A 24 0.668 -4.339 -4.430 1.00 0.00 C ATOM 347 CD PRO A 24 0.460 -3.305 -5.502 1.00 0.00 C ATOM 0 HA PRO A 24 2.338 -1.662 -3.406 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.946 -4.323 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 24 0.625 -3.174 -2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 24 1.276 -5.165 -4.798 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.283 -4.762 -4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 24 0.523 -3.741 -6.499 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.520 -2.834 -5.421 1.00 0.00 H new ATOM 355 N VAL A 25 4.597 -2.192 -4.324 1.00 0.00 N ATOM 356 CA VAL A 25 5.994 -2.566 -4.510 1.00 0.00 C ATOM 357 C VAL A 25 6.412 -3.642 -3.514 1.00 0.00 C ATOM 358 O VAL A 25 6.420 -3.414 -2.305 1.00 0.00 O ATOM 359 CB VAL A 25 6.925 -1.349 -4.357 1.00 0.00 C ATOM 360 CG1 VAL A 25 8.371 -1.748 -4.611 1.00 0.00 C ATOM 361 CG2 VAL A 25 6.500 -0.231 -5.297 1.00 0.00 C ATOM 0 H VAL A 25 4.427 -1.186 -4.321 1.00 0.00 H new ATOM 0 HA VAL A 25 6.085 -2.958 -5.523 1.00 0.00 H new ATOM 0 HB VAL A 25 6.848 -0.981 -3.334 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.014 -0.875 -4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.669 -2.513 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.467 -2.142 -5.623 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.169 0.621 -5.175 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.546 -0.584 -6.327 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.480 0.073 -5.063 1.00 0.00 H new ATOM 371 N VAL A 26 6.761 -4.816 -4.031 1.00 0.00 N ATOM 372 CA VAL A 26 7.183 -5.927 -3.188 1.00 0.00 C ATOM 373 C VAL A 26 8.622 -5.746 -2.718 1.00 0.00 C ATOM 374 O VAL A 26 9.546 -6.348 -3.267 1.00 0.00 O ATOM 375 CB VAL A 26 7.062 -7.272 -3.929 1.00 0.00 C ATOM 376 CG1 VAL A 26 7.762 -7.203 -5.277 1.00 0.00 C ATOM 377 CG2 VAL A 26 7.629 -8.400 -3.081 1.00 0.00 C ATOM 0 H VAL A 26 6.760 -5.022 -5.030 1.00 0.00 H new ATOM 0 HA VAL A 26 6.520 -5.936 -2.323 1.00 0.00 H new ATOM 0 HB VAL A 26 6.006 -7.477 -4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.666 -8.162 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 26 7.305 -6.422 -5.885 1.00 0.00 H new ATOM 0 HG13 VAL A 26 8.817 -6.975 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.535 -9.343 -3.620 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.681 -8.205 -2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.078 -8.462 -2.143 1.00 0.00 H new ATOM 387 N LEU A 27 8.805 -4.913 -1.700 1.00 0.00 N ATOM 388 CA LEU A 27 10.133 -4.652 -1.155 1.00 0.00 C ATOM 389 C LEU A 27 10.856 -5.956 -0.833 1.00 0.00 C ATOM 390 O LEU A 27 12.023 -6.135 -1.183 1.00 0.00 O ATOM 391 CB LEU A 27 10.029 -3.789 0.104 1.00 0.00 C ATOM 392 CG LEU A 27 9.386 -2.414 -0.076 1.00 0.00 C ATOM 393 CD1 LEU A 27 9.171 -1.744 1.272 1.00 0.00 C ATOM 394 CD2 LEU A 27 10.244 -1.538 -0.978 1.00 0.00 C ATOM 0 H LEU A 27 8.051 -4.407 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 27 10.709 -4.116 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.458 -4.340 0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.032 -3.649 0.508 1.00 0.00 H new ATOM 0 HG LEU A 27 8.414 -2.548 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.712 -0.766 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.516 -2.363 1.885 1.00 0.00 H new ATOM 0 HD13 LEU A 27 10.130 -1.622 1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.771 -0.563 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 27 11.230 -1.412 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 27 10.346 -2.011 -1.955 1.00 0.00 H new ATOM 406 N THR A 28 10.154 -6.867 -0.166 1.00 0.00 N ATOM 407 CA THR A 28 10.728 -8.155 0.202 1.00 0.00 C ATOM 408 C THR A 28 9.668 -9.251 0.195 1.00 0.00 C ATOM 409 O THR A 28 8.468 -8.988 0.271 1.00 0.00 O ATOM 410 CB THR A 28 11.385 -8.100 1.595 1.00 0.00 C ATOM 411 OG1 THR A 28 10.711 -7.140 2.416 1.00 0.00 O ATOM 412 CG2 THR A 28 12.858 -7.737 1.484 1.00 0.00 C ATOM 0 H THR A 28 9.187 -6.736 0.130 1.00 0.00 H new ATOM 0 HA THR A 28 11.490 -8.386 -0.542 1.00 0.00 H new ATOM 0 HB THR A 28 11.304 -9.087 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.133 -7.112 3.300 1.00 0.00 H new ATOM 0 HG21 THR A 28 13.301 -7.704 2.480 1.00 0.00 H new ATOM 0 HG22 THR A 28 13.373 -8.486 0.882 1.00 0.00 H new ATOM 0 HG23 THR A 28 12.957 -6.760 1.010 1.00 0.00 H new ATOM 420 N PRO A 29 10.120 -10.510 0.103 1.00 0.00 N ATOM 421 CA PRO A 29 9.226 -11.672 0.085 1.00 0.00 C ATOM 422 C PRO A 29 8.554 -11.907 1.434 1.00 0.00 C ATOM 423 O PRO A 29 7.783 -12.853 1.599 1.00 0.00 O ATOM 424 CB PRO A 29 10.161 -12.834 -0.256 1.00 0.00 C ATOM 425 CG PRO A 29 11.505 -12.388 0.207 1.00 0.00 C ATOM 426 CD PRO A 29 11.537 -10.898 0.010 1.00 0.00 C ATOM 0 HA PRO A 29 8.407 -11.545 -0.623 1.00 0.00 H new ATOM 0 HB2 PRO A 29 9.853 -13.751 0.247 1.00 0.00 H new ATOM 0 HB3 PRO A 29 10.160 -13.042 -1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.663 -12.647 1.254 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.296 -12.874 -0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 29 12.139 -10.405 0.773 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.964 -10.630 -0.956 1.00 0.00 H new ATOM 434 N THR A 30 8.851 -11.041 2.397 1.00 0.00 N ATOM 435 CA THR A 30 8.277 -11.154 3.732 1.00 0.00 C ATOM 436 C THR A 30 7.547 -9.876 4.127 1.00 0.00 C ATOM 437 O THR A 30 6.818 -9.845 5.119 1.00 0.00 O ATOM 438 CB THR A 30 9.358 -11.462 4.785 1.00 0.00 C ATOM 439 OG1 THR A 30 10.461 -10.561 4.632 1.00 0.00 O ATOM 440 CG2 THR A 30 9.848 -12.896 4.655 1.00 0.00 C ATOM 0 H THR A 30 9.487 -10.252 2.277 1.00 0.00 H new ATOM 0 HA THR A 30 7.566 -11.980 3.701 1.00 0.00 H new ATOM 0 HB THR A 30 8.917 -11.334 5.774 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.143 -10.762 5.306 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.611 -13.090 5.409 1.00 0.00 H new ATOM 0 HG22 THR A 30 9.012 -13.581 4.800 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.273 -13.047 3.662 1.00 0.00 H new ATOM 448 N THR A 31 7.747 -8.820 3.345 1.00 0.00 N ATOM 449 CA THR A 31 7.109 -7.537 3.614 1.00 0.00 C ATOM 450 C THR A 31 6.874 -6.759 2.325 1.00 0.00 C ATOM 451 O THR A 31 7.744 -6.701 1.455 1.00 0.00 O ATOM 452 CB THR A 31 7.955 -6.678 4.572 1.00 0.00 C ATOM 453 OG1 THR A 31 8.463 -7.489 5.638 1.00 0.00 O ATOM 454 CG2 THR A 31 7.131 -5.536 5.146 1.00 0.00 C ATOM 0 H THR A 31 8.346 -8.828 2.520 1.00 0.00 H new ATOM 0 HA THR A 31 6.150 -7.754 4.084 1.00 0.00 H new ATOM 0 HB THR A 31 8.787 -6.257 4.008 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.001 -6.936 6.242 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.750 -4.943 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.770 -4.904 4.335 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.281 -5.941 5.696 1.00 0.00 H new ATOM 462 N VAL A 32 5.693 -6.160 2.207 1.00 0.00 N ATOM 463 CA VAL A 32 5.345 -5.382 1.024 1.00 0.00 C ATOM 464 C VAL A 32 4.863 -3.987 1.405 1.00 0.00 C ATOM 465 O VAL A 32 4.115 -3.821 2.368 1.00 0.00 O ATOM 466 CB VAL A 32 4.252 -6.082 0.194 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.981 -5.312 -1.089 1.00 0.00 C ATOM 468 CG2 VAL A 32 4.652 -7.518 -0.110 1.00 0.00 C ATOM 0 H VAL A 32 4.961 -6.199 2.916 1.00 0.00 H new ATOM 0 HA VAL A 32 6.250 -5.298 0.423 1.00 0.00 H new ATOM 0 HB VAL A 32 3.332 -6.101 0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.206 -5.821 -1.662 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.648 -4.303 -0.845 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.895 -5.259 -1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.869 -7.997 -0.697 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.584 -7.524 -0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.790 -8.063 0.824 1.00 0.00 H new ATOM 478 N GLN A 33 5.297 -2.988 0.643 1.00 0.00 N ATOM 479 CA GLN A 33 4.909 -1.607 0.902 1.00 0.00 C ATOM 480 C GLN A 33 3.585 -1.276 0.221 1.00 0.00 C ATOM 481 O GLN A 33 3.378 -1.602 -0.948 1.00 0.00 O ATOM 482 CB GLN A 33 5.999 -0.650 0.417 1.00 0.00 C ATOM 483 CG GLN A 33 6.023 0.674 1.164 1.00 0.00 C ATOM 484 CD GLN A 33 6.561 1.812 0.318 1.00 0.00 C ATOM 485 OE1 GLN A 33 7.693 1.760 -0.164 1.00 0.00 O ATOM 486 NE2 GLN A 33 5.751 2.848 0.134 1.00 0.00 N ATOM 0 H GLN A 33 5.917 -3.109 -0.158 1.00 0.00 H new ATOM 0 HA GLN A 33 4.782 -1.487 1.978 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.970 -1.135 0.522 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.854 -0.456 -0.646 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.014 0.918 1.495 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.636 0.571 2.059 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.821 2.849 0.552 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.059 3.643 -0.426 1.00 0.00 H new ATOM 495 N VAL A 34 2.691 -0.627 0.960 1.00 0.00 N ATOM 496 CA VAL A 34 1.387 -0.251 0.427 1.00 0.00 C ATOM 497 C VAL A 34 1.236 1.264 0.359 1.00 0.00 C ATOM 498 O VAL A 34 1.534 1.973 1.322 1.00 0.00 O ATOM 499 CB VAL A 34 0.243 -0.832 1.280 1.00 0.00 C ATOM 500 CG1 VAL A 34 -1.107 -0.425 0.712 1.00 0.00 C ATOM 501 CG2 VAL A 34 0.360 -2.346 1.367 1.00 0.00 C ATOM 0 H VAL A 34 2.846 -0.351 1.930 1.00 0.00 H new ATOM 0 HA VAL A 34 1.326 -0.664 -0.580 1.00 0.00 H new ATOM 0 HB VAL A 34 0.323 -0.426 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.902 -0.845 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.187 0.662 0.707 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.201 -0.800 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.456 -2.740 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.307 -2.773 0.366 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.313 -2.612 1.825 1.00 0.00 H new ATOM 511 N THR A 35 0.772 1.757 -0.785 1.00 0.00 N ATOM 512 CA THR A 35 0.582 3.189 -0.979 1.00 0.00 C ATOM 513 C THR A 35 -0.730 3.477 -1.700 1.00 0.00 C ATOM 514 O THR A 35 -1.177 2.688 -2.532 1.00 0.00 O ATOM 515 CB THR A 35 1.743 3.805 -1.783 1.00 0.00 C ATOM 516 OG1 THR A 35 2.997 3.368 -1.248 1.00 0.00 O ATOM 517 CG2 THR A 35 1.675 5.325 -1.753 1.00 0.00 C ATOM 0 H THR A 35 0.521 1.185 -1.591 1.00 0.00 H new ATOM 0 HA THR A 35 0.555 3.642 0.012 1.00 0.00 H new ATOM 0 HB THR A 35 1.655 3.473 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 35 3.729 3.763 -1.766 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.505 5.738 -2.327 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.732 5.656 -2.189 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.740 5.672 -0.722 1.00 0.00 H new ATOM 525 N TRP A 36 -1.341 4.611 -1.375 1.00 0.00 N ATOM 526 CA TRP A 36 -2.602 5.003 -1.993 1.00 0.00 C ATOM 527 C TRP A 36 -2.776 6.517 -1.963 1.00 0.00 C ATOM 528 O TRP A 36 -2.024 7.226 -1.292 1.00 0.00 O ATOM 529 CB TRP A 36 -3.775 4.328 -1.279 1.00 0.00 C ATOM 530 CG TRP A 36 -3.981 4.822 0.121 1.00 0.00 C ATOM 531 CD1 TRP A 36 -4.716 5.905 0.508 1.00 0.00 C ATOM 532 CD2 TRP A 36 -3.443 4.250 1.319 1.00 0.00 C ATOM 533 NE1 TRP A 36 -4.668 6.042 1.875 1.00 0.00 N ATOM 534 CE2 TRP A 36 -3.894 5.039 2.395 1.00 0.00 C ATOM 535 CE3 TRP A 36 -2.627 3.148 1.587 1.00 0.00 C ATOM 536 CZ2 TRP A 36 -3.554 4.759 3.716 1.00 0.00 C ATOM 537 CZ3 TRP A 36 -2.290 2.872 2.898 1.00 0.00 C ATOM 538 CH2 TRP A 36 -2.753 3.674 3.949 1.00 0.00 C ATOM 0 H TRP A 36 -0.984 5.274 -0.688 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.584 4.679 -3.034 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -4.686 4.495 -1.854 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.606 3.251 -1.256 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.256 6.558 -0.161 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -5.133 6.772 2.414 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -2.266 2.523 0.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.910 5.376 4.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.659 2.023 3.116 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -2.472 3.431 4.963 1.00 0.00 H new ATOM 549 N THR A 37 -3.771 7.009 -2.694 1.00 0.00 N ATOM 550 CA THR A 37 -4.042 8.440 -2.752 1.00 0.00 C ATOM 551 C THR A 37 -5.533 8.711 -2.920 1.00 0.00 C ATOM 552 O THR A 37 -6.255 7.913 -3.518 1.00 0.00 O ATOM 553 CB THR A 37 -3.276 9.111 -3.907 1.00 0.00 C ATOM 554 OG1 THR A 37 -3.564 10.514 -3.937 1.00 0.00 O ATOM 555 CG2 THR A 37 -3.650 8.483 -5.241 1.00 0.00 C ATOM 0 H THR A 37 -4.403 6.437 -3.254 1.00 0.00 H new ATOM 0 HA THR A 37 -3.703 8.864 -1.807 1.00 0.00 H new ATOM 0 HB THR A 37 -2.209 8.963 -3.740 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.072 10.933 -4.673 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.096 8.973 -6.042 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.402 7.422 -5.226 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.720 8.604 -5.413 1.00 0.00 H new ATOM 563 N VAL A 38 -5.988 9.842 -2.391 1.00 0.00 N ATOM 564 CA VAL A 38 -7.393 10.219 -2.485 1.00 0.00 C ATOM 565 C VAL A 38 -7.558 11.548 -3.214 1.00 0.00 C ATOM 566 O VAL A 38 -6.747 12.460 -3.055 1.00 0.00 O ATOM 567 CB VAL A 38 -8.040 10.327 -1.091 1.00 0.00 C ATOM 568 CG1 VAL A 38 -7.900 9.016 -0.334 1.00 0.00 C ATOM 569 CG2 VAL A 38 -7.422 11.474 -0.306 1.00 0.00 C ATOM 0 H VAL A 38 -5.404 10.513 -1.893 1.00 0.00 H new ATOM 0 HA VAL A 38 -7.894 9.433 -3.050 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.103 10.533 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.363 9.112 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.393 8.220 -0.891 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.844 8.775 -0.215 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.890 11.537 0.676 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.353 11.299 -0.188 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.580 12.409 -0.843 1.00 0.00 H new ATOM 579 N ASP A 39 -8.614 11.650 -4.014 1.00 0.00 N ATOM 580 CA ASP A 39 -8.887 12.868 -4.767 1.00 0.00 C ATOM 581 C ASP A 39 -9.268 14.012 -3.832 1.00 0.00 C ATOM 582 O ASP A 39 -8.662 15.083 -3.866 1.00 0.00 O ATOM 583 CB ASP A 39 -10.008 12.627 -5.780 1.00 0.00 C ATOM 584 CG ASP A 39 -10.003 13.646 -6.902 1.00 0.00 C ATOM 585 OD1 ASP A 39 -9.646 14.814 -6.642 1.00 0.00 O ATOM 586 OD2 ASP A 39 -10.357 13.275 -8.041 1.00 0.00 O ATOM 0 H ASP A 39 -9.295 10.904 -4.157 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.978 13.146 -5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -9.905 11.627 -6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.970 12.659 -5.268 1.00 0.00 H new ATOM 591 N ARG A 40 -10.277 13.777 -2.999 1.00 0.00 N ATOM 592 CA ARG A 40 -10.740 14.788 -2.056 1.00 0.00 C ATOM 593 C ARG A 40 -10.558 14.314 -0.617 1.00 0.00 C ATOM 594 O ARG A 40 -11.447 13.682 -0.046 1.00 0.00 O ATOM 595 CB ARG A 40 -12.211 15.120 -2.313 1.00 0.00 C ATOM 596 CG ARG A 40 -12.472 15.696 -3.695 1.00 0.00 C ATOM 597 CD ARG A 40 -13.961 15.857 -3.959 1.00 0.00 C ATOM 598 NE ARG A 40 -14.263 15.897 -5.387 1.00 0.00 N ATOM 599 CZ ARG A 40 -14.026 16.952 -6.159 1.00 0.00 C ATOM 600 NH1 ARG A 40 -13.486 18.048 -5.643 1.00 0.00 N ATOM 601 NH2 ARG A 40 -14.329 16.912 -7.450 1.00 0.00 N ATOM 0 H ARG A 40 -10.789 12.896 -2.958 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.141 15.687 -2.202 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.806 14.216 -2.187 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -12.551 15.833 -1.561 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -11.978 16.664 -3.786 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -12.036 15.043 -4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -14.502 15.031 -3.497 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -14.316 16.774 -3.488 1.00 0.00 H new ATOM 0 HE ARG A 40 -14.679 15.070 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -13.251 18.083 -4.651 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.305 18.856 -6.238 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -14.744 16.071 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.147 17.722 -8.042 1.00 0.00 H new ATOM 615 N GLN A 41 -9.402 14.622 -0.039 1.00 0.00 N ATOM 616 CA GLN A 41 -9.104 14.225 1.332 1.00 0.00 C ATOM 617 C GLN A 41 -10.276 14.540 2.256 1.00 0.00 C ATOM 618 O GLN A 41 -10.553 15.697 2.575 1.00 0.00 O ATOM 619 CB GLN A 41 -7.843 14.935 1.828 1.00 0.00 C ATOM 620 CG GLN A 41 -7.532 14.671 3.292 1.00 0.00 C ATOM 621 CD GLN A 41 -6.054 14.795 3.607 1.00 0.00 C ATOM 622 OE1 GLN A 41 -5.370 13.797 3.835 1.00 0.00 O ATOM 623 NE2 GLN A 41 -5.553 16.025 3.621 1.00 0.00 N ATOM 0 H GLN A 41 -8.656 15.145 -0.498 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.934 13.148 1.344 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.995 14.617 1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.957 16.008 1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.091 15.373 3.910 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.873 13.670 3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.157 16.824 3.426 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -4.565 16.171 3.827 1.00 0.00 H new ATOM 632 N PRO A 42 -10.981 13.488 2.697 1.00 0.00 N ATOM 633 CA PRO A 42 -12.134 13.628 3.592 1.00 0.00 C ATOM 634 C PRO A 42 -11.731 14.069 4.994 1.00 0.00 C ATOM 635 O PRO A 42 -10.735 13.596 5.540 1.00 0.00 O ATOM 636 CB PRO A 42 -12.729 12.217 3.626 1.00 0.00 C ATOM 637 CG PRO A 42 -11.586 11.316 3.308 1.00 0.00 C ATOM 638 CD PRO A 42 -10.707 12.082 2.358 1.00 0.00 C ATOM 0 HA PRO A 42 -12.829 14.392 3.244 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -13.152 11.989 4.604 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -13.533 12.109 2.898 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.040 11.044 4.212 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.935 10.388 2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.655 11.833 2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.953 11.864 1.319 1.00 0.00 H new ATOM 646 N GLN A 43 -12.511 14.978 5.570 1.00 0.00 N ATOM 647 CA GLN A 43 -12.233 15.484 6.910 1.00 0.00 C ATOM 648 C GLN A 43 -12.799 14.548 7.973 1.00 0.00 C ATOM 649 O GLN A 43 -12.098 14.156 8.906 1.00 0.00 O ATOM 650 CB GLN A 43 -12.821 16.885 7.081 1.00 0.00 C ATOM 651 CG GLN A 43 -12.022 17.971 6.379 1.00 0.00 C ATOM 652 CD GLN A 43 -12.570 19.360 6.639 1.00 0.00 C ATOM 653 OE1 GLN A 43 -13.375 19.562 7.549 1.00 0.00 O ATOM 654 NE2 GLN A 43 -12.136 20.327 5.840 1.00 0.00 N ATOM 0 H GLN A 43 -13.340 15.379 5.131 1.00 0.00 H new ATOM 0 HA GLN A 43 -11.151 15.534 7.035 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.841 16.891 6.697 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.879 17.118 8.144 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -10.985 17.926 6.711 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.021 17.780 5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -11.469 20.115 5.098 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -12.470 21.282 5.968 1.00 0.00 H new ATOM 663 N PHE A 44 -14.071 14.194 7.825 1.00 0.00 N ATOM 664 CA PHE A 44 -14.732 13.305 8.774 1.00 0.00 C ATOM 665 C PHE A 44 -13.909 12.040 8.998 1.00 0.00 C ATOM 666 O PHE A 44 -13.877 11.495 10.102 1.00 0.00 O ATOM 667 CB PHE A 44 -16.129 12.935 8.271 1.00 0.00 C ATOM 668 CG PHE A 44 -16.120 11.896 7.186 1.00 0.00 C ATOM 669 CD1 PHE A 44 -15.549 12.167 5.953 1.00 0.00 C ATOM 670 CD2 PHE A 44 -16.681 10.648 7.400 1.00 0.00 C ATOM 671 CE1 PHE A 44 -15.540 11.213 4.953 1.00 0.00 C ATOM 672 CE2 PHE A 44 -16.675 9.689 6.404 1.00 0.00 C ATOM 673 CZ PHE A 44 -16.103 9.972 5.179 1.00 0.00 C ATOM 0 H PHE A 44 -14.665 14.509 7.058 1.00 0.00 H new ATOM 0 HA PHE A 44 -14.823 13.832 9.724 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -16.723 12.569 9.109 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -16.622 13.833 7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -15.106 13.135 5.771 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -17.129 10.421 8.356 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -15.093 11.438 3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -17.117 8.720 6.584 1.00 0.00 H new ATOM 0 HZ PHE A 44 -16.096 9.225 4.399 1.00 0.00 H new ATOM 683 N ILE A 45 -13.245 11.578 7.944 1.00 0.00 N ATOM 684 CA ILE A 45 -12.421 10.379 8.025 1.00 0.00 C ATOM 685 C ILE A 45 -11.596 10.364 9.308 1.00 0.00 C ATOM 686 O ILE A 45 -11.162 11.410 9.789 1.00 0.00 O ATOM 687 CB ILE A 45 -11.473 10.263 6.817 1.00 0.00 C ATOM 688 CG1 ILE A 45 -11.093 8.801 6.577 1.00 0.00 C ATOM 689 CG2 ILE A 45 -10.229 11.111 7.037 1.00 0.00 C ATOM 690 CD1 ILE A 45 -10.356 8.574 5.276 1.00 0.00 C ATOM 0 H ILE A 45 -13.262 12.016 7.023 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.102 9.528 8.024 1.00 0.00 H new ATOM 0 HB ILE A 45 -11.990 10.634 5.932 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.471 8.456 7.403 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.998 8.193 6.584 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.569 11.019 6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.518 12.155 7.163 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.708 10.768 7.931 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.118 7.515 5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -10.984 8.888 4.442 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.434 9.155 5.274 1.00 0.00 H new ATOM 702 N GLN A 46 -11.383 9.171 9.854 1.00 0.00 N ATOM 703 CA GLN A 46 -10.608 9.021 11.080 1.00 0.00 C ATOM 704 C GLN A 46 -9.244 8.405 10.790 1.00 0.00 C ATOM 705 O GLN A 46 -8.272 8.663 11.499 1.00 0.00 O ATOM 706 CB GLN A 46 -11.369 8.154 12.085 1.00 0.00 C ATOM 707 CG GLN A 46 -12.375 8.931 12.919 1.00 0.00 C ATOM 708 CD GLN A 46 -11.775 9.477 14.200 1.00 0.00 C ATOM 709 OE1 GLN A 46 -10.963 10.403 14.173 1.00 0.00 O ATOM 710 NE2 GLN A 46 -12.171 8.905 15.331 1.00 0.00 N ATOM 0 H GLN A 46 -11.736 8.295 9.467 1.00 0.00 H new ATOM 0 HA GLN A 46 -10.455 10.012 11.507 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.890 7.362 11.548 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.654 7.671 12.751 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -12.771 9.756 12.327 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -13.216 8.282 13.164 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -12.846 8.141 15.307 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.800 9.230 16.224 1.00 0.00 H new ATOM 719 N GLY A 47 -9.178 7.590 9.742 1.00 0.00 N ATOM 720 CA GLY A 47 -7.928 6.949 9.377 1.00 0.00 C ATOM 721 C GLY A 47 -8.056 6.096 8.131 1.00 0.00 C ATOM 722 O GLY A 47 -8.591 6.543 7.116 1.00 0.00 O ATOM 0 H GLY A 47 -9.968 7.362 9.139 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.166 7.711 9.215 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.586 6.328 10.205 1.00 0.00 H new ATOM 726 N TYR A 48 -7.563 4.865 8.207 1.00 0.00 N ATOM 727 CA TYR A 48 -7.620 3.947 7.075 1.00 0.00 C ATOM 728 C TYR A 48 -7.395 2.508 7.528 1.00 0.00 C ATOM 729 O TYR A 48 -6.493 2.228 8.317 1.00 0.00 O ATOM 730 CB TYR A 48 -6.576 4.333 6.026 1.00 0.00 C ATOM 731 CG TYR A 48 -6.909 5.605 5.280 1.00 0.00 C ATOM 732 CD1 TYR A 48 -7.807 5.598 4.219 1.00 0.00 C ATOM 733 CD2 TYR A 48 -6.324 6.815 5.634 1.00 0.00 C ATOM 734 CE1 TYR A 48 -8.113 6.758 3.534 1.00 0.00 C ATOM 735 CE2 TYR A 48 -6.625 7.980 4.955 1.00 0.00 C ATOM 736 CZ TYR A 48 -7.520 7.946 3.906 1.00 0.00 C ATOM 737 OH TYR A 48 -7.822 9.104 3.227 1.00 0.00 O ATOM 0 H TYR A 48 -7.119 4.479 9.041 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.614 4.017 6.632 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -5.609 4.451 6.514 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.474 3.518 5.310 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -8.274 4.669 3.925 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -5.622 6.845 6.454 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -8.813 6.735 2.712 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.162 8.912 5.244 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.320 9.851 3.615 1.00 0.00 H new ATOM 747 N ARG A 49 -8.223 1.599 7.022 1.00 0.00 N ATOM 748 CA ARG A 49 -8.115 0.189 7.374 1.00 0.00 C ATOM 749 C ARG A 49 -7.609 -0.630 6.190 1.00 0.00 C ATOM 750 O ARG A 49 -8.340 -0.868 5.228 1.00 0.00 O ATOM 751 CB ARG A 49 -9.471 -0.348 7.836 1.00 0.00 C ATOM 752 CG ARG A 49 -9.368 -1.560 8.748 1.00 0.00 C ATOM 753 CD ARG A 49 -10.546 -1.638 9.707 1.00 0.00 C ATOM 754 NE ARG A 49 -10.516 -2.855 10.512 1.00 0.00 N ATOM 755 CZ ARG A 49 -11.168 -2.992 11.661 1.00 0.00 C ATOM 756 NH1 ARG A 49 -11.897 -1.992 12.137 1.00 0.00 N ATOM 757 NH2 ARG A 49 -11.092 -4.132 12.337 1.00 0.00 N ATOM 0 H ARG A 49 -8.975 1.814 6.368 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.398 0.098 8.190 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -10.007 0.444 8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -10.065 -0.612 6.961 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.327 -2.467 8.146 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.438 -1.512 9.315 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.537 -0.768 10.364 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -11.477 -1.600 9.141 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.964 -3.643 10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.958 -1.115 11.620 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.397 -2.100 13.020 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.532 -4.904 11.974 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.593 -4.236 13.219 1.00 0.00 H new ATOM 771 N VAL A 50 -6.353 -1.059 6.267 1.00 0.00 N ATOM 772 CA VAL A 50 -5.749 -1.851 5.202 1.00 0.00 C ATOM 773 C VAL A 50 -6.040 -3.336 5.390 1.00 0.00 C ATOM 774 O VAL A 50 -5.568 -3.956 6.343 1.00 0.00 O ATOM 775 CB VAL A 50 -4.225 -1.642 5.143 1.00 0.00 C ATOM 776 CG1 VAL A 50 -3.627 -2.400 3.967 1.00 0.00 C ATOM 777 CG2 VAL A 50 -3.894 -0.159 5.055 1.00 0.00 C ATOM 0 H VAL A 50 -5.734 -0.871 7.056 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.191 -1.512 4.265 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.786 -2.036 6.060 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.549 -2.240 3.941 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.834 -3.465 4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.069 -2.039 3.039 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.813 -0.029 5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.344 0.262 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.288 0.354 5.932 1.00 0.00 H new ATOM 787 N MET A 51 -6.820 -3.901 4.474 1.00 0.00 N ATOM 788 CA MET A 51 -7.173 -5.314 4.538 1.00 0.00 C ATOM 789 C MET A 51 -6.303 -6.135 3.591 1.00 0.00 C ATOM 790 O MET A 51 -6.138 -5.784 2.422 1.00 0.00 O ATOM 791 CB MET A 51 -8.650 -5.510 4.190 1.00 0.00 C ATOM 792 CG MET A 51 -9.596 -5.113 5.312 1.00 0.00 C ATOM 793 SD MET A 51 -11.315 -5.514 4.945 1.00 0.00 S ATOM 794 CE MET A 51 -11.197 -7.277 4.652 1.00 0.00 C ATOM 0 H MET A 51 -7.219 -3.402 3.679 1.00 0.00 H new ATOM 0 HA MET A 51 -6.998 -5.660 5.557 1.00 0.00 H new ATOM 0 HB2 MET A 51 -8.887 -4.924 3.302 1.00 0.00 H new ATOM 0 HB3 MET A 51 -8.819 -6.556 3.936 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.297 -5.619 6.230 1.00 0.00 H new ATOM 0 HG3 MET A 51 -9.508 -4.042 5.495 1.00 0.00 H new ATOM 0 HE1 MET A 51 -12.067 -7.776 5.080 1.00 0.00 H new ATOM 0 HE2 MET A 51 -11.162 -7.466 3.579 1.00 0.00 H new ATOM 0 HE3 MET A 51 -10.291 -7.664 5.119 1.00 0.00 H new ATOM 804 N TYR A 52 -5.748 -7.228 4.102 1.00 0.00 N ATOM 805 CA TYR A 52 -4.893 -8.097 3.303 1.00 0.00 C ATOM 806 C TYR A 52 -5.045 -9.554 3.730 1.00 0.00 C ATOM 807 O TYR A 52 -5.363 -9.844 4.883 1.00 0.00 O ATOM 808 CB TYR A 52 -3.431 -7.666 3.431 1.00 0.00 C ATOM 809 CG TYR A 52 -2.875 -7.818 4.829 1.00 0.00 C ATOM 810 CD1 TYR A 52 -3.210 -6.919 5.833 1.00 0.00 C ATOM 811 CD2 TYR A 52 -2.015 -8.863 5.145 1.00 0.00 C ATOM 812 CE1 TYR A 52 -2.704 -7.054 7.111 1.00 0.00 C ATOM 813 CE2 TYR A 52 -1.505 -9.007 6.421 1.00 0.00 C ATOM 814 CZ TYR A 52 -1.852 -8.099 7.400 1.00 0.00 C ATOM 815 OH TYR A 52 -1.346 -8.238 8.673 1.00 0.00 O ATOM 0 H TYR A 52 -5.875 -7.533 5.067 1.00 0.00 H new ATOM 0 HA TYR A 52 -5.201 -8.009 2.261 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.826 -8.255 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.340 -6.624 3.124 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.878 -6.100 5.611 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -1.741 -9.575 4.380 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.974 -6.345 7.880 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.839 -9.825 6.651 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.784 -8.993 9.119 1.00 0.00 H new ATOM 825 N ARG A 53 -4.813 -10.466 2.791 1.00 0.00 N ATOM 826 CA ARG A 53 -4.924 -11.893 3.068 1.00 0.00 C ATOM 827 C ARG A 53 -4.297 -12.715 1.946 1.00 0.00 C ATOM 828 O ARG A 53 -4.027 -12.198 0.862 1.00 0.00 O ATOM 829 CB ARG A 53 -6.392 -12.287 3.245 1.00 0.00 C ATOM 830 CG ARG A 53 -7.167 -12.350 1.939 1.00 0.00 C ATOM 831 CD ARG A 53 -8.365 -13.281 2.047 1.00 0.00 C ATOM 832 NE ARG A 53 -9.119 -13.350 0.798 1.00 0.00 N ATOM 833 CZ ARG A 53 -10.368 -13.795 0.717 1.00 0.00 C ATOM 834 NH1 ARG A 53 -11.000 -14.207 1.807 1.00 0.00 N ATOM 835 NH2 ARG A 53 -10.987 -13.827 -0.456 1.00 0.00 N ATOM 0 H ARG A 53 -4.547 -10.242 1.832 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.385 -12.101 3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.442 -13.260 3.735 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.874 -11.570 3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.505 -11.350 1.667 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.509 -12.693 1.140 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.024 -14.280 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.020 -12.937 2.847 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.661 -13.039 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.527 -14.183 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -11.959 -14.548 1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.504 -13.510 -1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.946 -14.169 -0.517 1.00 0.00 H new ATOM 849 N GLN A 54 -4.069 -13.996 2.215 1.00 0.00 N ATOM 850 CA GLN A 54 -3.473 -14.889 1.228 1.00 0.00 C ATOM 851 C GLN A 54 -4.499 -15.301 0.177 1.00 0.00 C ATOM 852 O GLN A 54 -5.692 -15.399 0.463 1.00 0.00 O ATOM 853 CB GLN A 54 -2.901 -16.131 1.913 1.00 0.00 C ATOM 854 CG GLN A 54 -2.125 -17.041 0.973 1.00 0.00 C ATOM 855 CD GLN A 54 -2.075 -18.476 1.460 1.00 0.00 C ATOM 856 OE1 GLN A 54 -3.089 -19.173 1.478 1.00 0.00 O ATOM 857 NE2 GLN A 54 -0.890 -18.925 1.857 1.00 0.00 N ATOM 0 H GLN A 54 -4.288 -14.439 3.107 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.665 -14.352 0.730 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.246 -15.818 2.726 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -3.717 -16.697 2.362 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -2.584 -17.012 -0.015 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.109 -16.663 0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -0.075 -18.312 1.825 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -0.794 -19.883 2.194 1.00 0.00 H new ATOM 866 N THR A 55 -4.026 -15.540 -1.043 1.00 0.00 N ATOM 867 CA THR A 55 -4.901 -15.939 -2.137 1.00 0.00 C ATOM 868 C THR A 55 -4.846 -17.446 -2.364 1.00 0.00 C ATOM 869 O THR A 55 -5.871 -18.085 -2.598 1.00 0.00 O ATOM 870 CB THR A 55 -4.526 -15.221 -3.447 1.00 0.00 C ATOM 871 OG1 THR A 55 -3.180 -15.541 -3.814 1.00 0.00 O ATOM 872 CG2 THR A 55 -4.671 -13.714 -3.298 1.00 0.00 C ATOM 0 H THR A 55 -3.041 -15.464 -1.297 1.00 0.00 H new ATOM 0 HA THR A 55 -5.913 -15.654 -1.851 1.00 0.00 H new ATOM 0 HB THR A 55 -5.205 -15.561 -4.229 1.00 0.00 H new ATOM 0 HG1 THR A 55 -2.559 -15.080 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.401 -13.228 -4.236 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.704 -13.471 -3.048 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.013 -13.362 -2.504 1.00 0.00 H new ATOM 880 N SER A 56 -3.643 -18.007 -2.291 1.00 0.00 N ATOM 881 CA SER A 56 -3.455 -19.439 -2.492 1.00 0.00 C ATOM 882 C SER A 56 -2.611 -20.038 -1.370 1.00 0.00 C ATOM 883 O SER A 56 -1.637 -19.435 -0.922 1.00 0.00 O ATOM 884 CB SER A 56 -2.788 -19.703 -3.843 1.00 0.00 C ATOM 885 OG SER A 56 -3.609 -19.262 -4.911 1.00 0.00 O ATOM 0 H SER A 56 -2.785 -17.492 -2.094 1.00 0.00 H new ATOM 0 HA SER A 56 -4.436 -19.915 -2.480 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.826 -19.191 -3.884 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.587 -20.769 -3.951 1.00 0.00 H new ATOM 0 HG SER A 56 -3.160 -19.440 -5.764 1.00 0.00 H new ATOM 891 N GLY A 57 -2.993 -21.230 -0.922 1.00 0.00 N ATOM 892 CA GLY A 57 -2.262 -21.891 0.143 1.00 0.00 C ATOM 893 C GLY A 57 -3.170 -22.368 1.259 1.00 0.00 C ATOM 894 O GLY A 57 -4.312 -22.758 1.017 1.00 0.00 O ATOM 0 H GLY A 57 -3.796 -21.750 -1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.718 -22.742 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.520 -21.205 0.551 1.00 0.00 H new ATOM 898 N LEU A 58 -2.661 -22.339 2.486 1.00 0.00 N ATOM 899 CA LEU A 58 -3.433 -22.774 3.645 1.00 0.00 C ATOM 900 C LEU A 58 -4.347 -21.658 4.140 1.00 0.00 C ATOM 901 O LEU A 58 -5.545 -21.864 4.332 1.00 0.00 O ATOM 902 CB LEU A 58 -2.496 -23.218 4.769 1.00 0.00 C ATOM 903 CG LEU A 58 -3.139 -24.015 5.905 1.00 0.00 C ATOM 904 CD1 LEU A 58 -4.003 -23.110 6.769 1.00 0.00 C ATOM 905 CD2 LEU A 58 -3.962 -25.167 5.347 1.00 0.00 C ATOM 0 H LEU A 58 -1.717 -22.019 2.704 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.052 -23.618 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.700 -23.822 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.027 -22.331 5.195 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.346 -24.429 6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.452 -23.694 7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.387 -22.319 7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.790 -22.667 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.413 -25.724 6.169 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.747 -24.774 4.701 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.316 -25.830 4.771 1.00 0.00 H new ATOM 917 N GLN A 59 -3.773 -20.476 4.343 1.00 0.00 N ATOM 918 CA GLN A 59 -4.537 -19.327 4.814 1.00 0.00 C ATOM 919 C GLN A 59 -5.266 -18.648 3.660 1.00 0.00 C ATOM 920 O GLN A 59 -5.726 -17.513 3.785 1.00 0.00 O ATOM 921 CB GLN A 59 -3.614 -18.325 5.510 1.00 0.00 C ATOM 922 CG GLN A 59 -3.304 -18.685 6.954 1.00 0.00 C ATOM 923 CD GLN A 59 -2.089 -17.954 7.490 1.00 0.00 C ATOM 924 OE1 GLN A 59 -2.052 -16.723 7.514 1.00 0.00 O ATOM 925 NE2 GLN A 59 -1.087 -18.709 7.923 1.00 0.00 N ATOM 0 H GLN A 59 -2.782 -20.289 4.189 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.279 -19.684 5.528 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.680 -18.256 4.953 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.075 -17.338 5.481 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.168 -18.451 7.576 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.139 -19.760 7.029 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.161 -19.726 7.884 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.243 -18.273 8.294 1.00 0.00 H new ATOM 934 N ALA A 60 -5.369 -19.350 2.536 1.00 0.00 N ATOM 935 CA ALA A 60 -6.043 -18.816 1.360 1.00 0.00 C ATOM 936 C ALA A 60 -7.510 -18.519 1.655 1.00 0.00 C ATOM 937 O ALA A 60 -8.158 -19.237 2.418 1.00 0.00 O ATOM 938 CB ALA A 60 -5.924 -19.787 0.195 1.00 0.00 C ATOM 0 H ALA A 60 -4.994 -20.291 2.416 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.556 -17.879 1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -6.432 -19.374 -0.676 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -4.872 -19.946 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -6.383 -20.738 0.466 1.00 0.00 H new ATOM 944 N THR A 61 -8.028 -17.457 1.048 1.00 0.00 N ATOM 945 CA THR A 61 -9.418 -17.064 1.248 1.00 0.00 C ATOM 946 C THR A 61 -9.851 -17.292 2.691 1.00 0.00 C ATOM 947 O THR A 61 -11.020 -17.567 2.962 1.00 0.00 O ATOM 948 CB THR A 61 -10.361 -17.843 0.311 1.00 0.00 C ATOM 949 OG1 THR A 61 -11.674 -17.273 0.355 1.00 0.00 O ATOM 950 CG2 THR A 61 -10.426 -19.310 0.706 1.00 0.00 C ATOM 0 H THR A 61 -7.506 -16.853 0.413 1.00 0.00 H new ATOM 0 HA THR A 61 -9.484 -16.001 1.016 1.00 0.00 H new ATOM 0 HB THR A 61 -9.969 -17.774 -0.704 1.00 0.00 H new ATOM 0 HG1 THR A 61 -11.982 -17.232 1.284 1.00 0.00 H new ATOM 0 HG21 THR A 61 -11.098 -19.839 0.030 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.430 -19.748 0.644 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.797 -19.396 1.727 1.00 0.00 H new ATOM 958 N SER A 62 -8.903 -17.176 3.615 1.00 0.00 N ATOM 959 CA SER A 62 -9.186 -17.372 5.031 1.00 0.00 C ATOM 960 C SER A 62 -9.469 -16.040 5.719 1.00 0.00 C ATOM 961 O SER A 62 -9.428 -14.983 5.089 1.00 0.00 O ATOM 962 CB SER A 62 -8.012 -18.073 5.716 1.00 0.00 C ATOM 963 OG SER A 62 -8.403 -18.626 6.961 1.00 0.00 O ATOM 0 H SER A 62 -7.931 -16.947 3.408 1.00 0.00 H new ATOM 0 HA SER A 62 -10.073 -18.000 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.628 -18.862 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.200 -17.363 5.869 1.00 0.00 H new ATOM 0 HG SER A 62 -7.635 -19.070 7.378 1.00 0.00 H new ATOM 969 N SER A 63 -9.756 -16.099 7.015 1.00 0.00 N ATOM 970 CA SER A 63 -10.050 -14.898 7.789 1.00 0.00 C ATOM 971 C SER A 63 -9.188 -13.728 7.324 1.00 0.00 C ATOM 972 O SER A 63 -7.965 -13.750 7.464 1.00 0.00 O ATOM 973 CB SER A 63 -9.818 -15.157 9.279 1.00 0.00 C ATOM 974 OG SER A 63 -10.548 -16.289 9.719 1.00 0.00 O ATOM 0 H SER A 63 -9.791 -16.966 7.552 1.00 0.00 H new ATOM 0 HA SER A 63 -11.097 -14.640 7.631 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.755 -15.312 9.463 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.117 -14.281 9.855 1.00 0.00 H new ATOM 0 HG SER A 63 -10.382 -16.435 10.674 1.00 0.00 H new ATOM 980 N TRP A 64 -9.835 -12.709 6.770 1.00 0.00 N ATOM 981 CA TRP A 64 -9.128 -11.529 6.284 1.00 0.00 C ATOM 982 C TRP A 64 -8.384 -10.834 7.419 1.00 0.00 C ATOM 983 O TRP A 64 -8.543 -11.190 8.586 1.00 0.00 O ATOM 984 CB TRP A 64 -10.110 -10.555 5.630 1.00 0.00 C ATOM 985 CG TRP A 64 -10.294 -10.794 4.162 1.00 0.00 C ATOM 986 CD1 TRP A 64 -11.223 -11.603 3.574 1.00 0.00 C ATOM 987 CD2 TRP A 64 -9.528 -10.219 3.098 1.00 0.00 C ATOM 988 NE1 TRP A 64 -11.081 -11.566 2.208 1.00 0.00 N ATOM 989 CE2 TRP A 64 -10.049 -10.724 1.890 1.00 0.00 C ATOM 990 CE3 TRP A 64 -8.454 -9.326 3.047 1.00 0.00 C ATOM 991 CZ2 TRP A 64 -9.530 -10.365 0.649 1.00 0.00 C ATOM 992 CZ3 TRP A 64 -7.941 -8.971 1.814 1.00 0.00 C ATOM 993 CH2 TRP A 64 -8.479 -9.489 0.629 1.00 0.00 C ATOM 0 H TRP A 64 -10.847 -12.676 6.646 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.399 -11.853 5.542 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -11.076 -10.635 6.128 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -9.756 -9.536 5.783 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.961 -12.186 4.105 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -11.652 -12.082 1.539 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -8.033 -8.921 3.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -9.943 -10.764 -0.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -7.111 -8.282 1.763 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -8.056 -9.191 -0.319 1.00 0.00 H new ATOM 1004 N GLN A 65 -7.571 -9.843 7.068 1.00 0.00 N ATOM 1005 CA GLN A 65 -6.801 -9.100 8.059 1.00 0.00 C ATOM 1006 C GLN A 65 -7.061 -7.602 7.938 1.00 0.00 C ATOM 1007 O GLN A 65 -7.711 -7.149 6.997 1.00 0.00 O ATOM 1008 CB GLN A 65 -5.308 -9.386 7.896 1.00 0.00 C ATOM 1009 CG GLN A 65 -4.947 -10.853 8.067 1.00 0.00 C ATOM 1010 CD GLN A 65 -3.488 -11.057 8.426 1.00 0.00 C ATOM 1011 OE1 GLN A 65 -3.081 -10.833 9.567 1.00 0.00 O ATOM 1012 NE2 GLN A 65 -2.692 -11.483 7.453 1.00 0.00 N ATOM 0 H GLN A 65 -7.428 -9.536 6.106 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.119 -9.427 9.049 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.989 -9.055 6.908 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -4.752 -8.796 8.625 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -5.573 -11.289 8.845 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.168 -11.388 7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -3.072 -11.656 6.522 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.701 -11.637 7.636 1.00 0.00 H new ATOM 1021 N ASN A 66 -6.547 -6.838 8.897 1.00 0.00 N ATOM 1022 CA ASN A 66 -6.725 -5.390 8.898 1.00 0.00 C ATOM 1023 C ASN A 66 -5.595 -4.704 9.660 1.00 0.00 C ATOM 1024 O ASN A 66 -5.253 -5.101 10.775 1.00 0.00 O ATOM 1025 CB ASN A 66 -8.073 -5.021 9.520 1.00 0.00 C ATOM 1026 CG ASN A 66 -8.419 -5.895 10.710 1.00 0.00 C ATOM 1027 OD1 ASN A 66 -8.063 -5.584 11.847 1.00 0.00 O ATOM 1028 ND2 ASN A 66 -9.117 -6.995 10.453 1.00 0.00 N ATOM 0 H ASN A 66 -6.004 -7.197 9.683 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.704 -5.045 7.864 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.052 -3.977 9.833 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.855 -5.112 8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.380 -7.622 11.214 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.391 -7.213 9.495 1.00 0.00 H new ATOM 1035 N LEU A 67 -5.019 -3.673 9.052 1.00 0.00 N ATOM 1036 CA LEU A 67 -3.928 -2.930 9.673 1.00 0.00 C ATOM 1037 C LEU A 67 -4.341 -1.489 9.954 1.00 0.00 C ATOM 1038 O LEU A 67 -4.234 -0.622 9.086 1.00 0.00 O ATOM 1039 CB LEU A 67 -2.692 -2.953 8.772 1.00 0.00 C ATOM 1040 CG LEU A 67 -1.442 -2.273 9.331 1.00 0.00 C ATOM 1041 CD1 LEU A 67 -0.695 -3.214 10.264 1.00 0.00 C ATOM 1042 CD2 LEU A 67 -0.535 -1.810 8.199 1.00 0.00 C ATOM 0 H LEU A 67 -5.289 -3.332 8.129 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.687 -3.410 10.621 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.448 -3.992 8.550 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.948 -2.477 7.826 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.752 -1.398 9.902 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.192 -2.713 10.652 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.345 -3.496 11.093 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.396 -4.108 9.716 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.350 -1.328 8.615 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.232 -2.669 7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.072 -1.100 7.570 1.00 0.00 H new ATOM 1054 N ASP A 68 -4.810 -1.240 11.171 1.00 0.00 N ATOM 1055 CA ASP A 68 -5.236 0.097 11.568 1.00 0.00 C ATOM 1056 C ASP A 68 -4.055 1.063 11.575 1.00 0.00 C ATOM 1057 O ASP A 68 -3.092 0.877 12.318 1.00 0.00 O ATOM 1058 CB ASP A 68 -5.887 0.058 12.952 1.00 0.00 C ATOM 1059 CG ASP A 68 -5.254 -0.976 13.861 1.00 0.00 C ATOM 1060 OD1 ASP A 68 -4.035 -0.878 14.113 1.00 0.00 O ATOM 1061 OD2 ASP A 68 -5.978 -1.883 14.321 1.00 0.00 O ATOM 0 H ASP A 68 -4.905 -1.947 11.900 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.967 0.450 10.841 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.808 1.042 13.415 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.950 -0.159 12.844 1.00 0.00 H new ATOM 1066 N ALA A 69 -4.137 2.095 10.741 1.00 0.00 N ATOM 1067 CA ALA A 69 -3.077 3.091 10.652 1.00 0.00 C ATOM 1068 C ALA A 69 -3.186 4.112 11.779 1.00 0.00 C ATOM 1069 O ALA A 69 -2.177 4.594 12.295 1.00 0.00 O ATOM 1070 CB ALA A 69 -3.119 3.788 9.300 1.00 0.00 C ATOM 0 H ALA A 69 -4.927 2.263 10.118 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.121 2.577 10.754 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.322 4.529 9.248 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.983 3.053 8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -4.082 4.282 9.175 1.00 0.00 H new ATOM 1076 N LYS A 70 -4.417 4.440 12.157 1.00 0.00 N ATOM 1077 CA LYS A 70 -4.660 5.404 13.223 1.00 0.00 C ATOM 1078 C LYS A 70 -4.123 6.781 12.845 1.00 0.00 C ATOM 1079 O LYS A 70 -3.747 7.571 13.711 1.00 0.00 O ATOM 1080 CB LYS A 70 -4.008 4.931 14.525 1.00 0.00 C ATOM 1081 CG LYS A 70 -4.557 3.610 15.035 1.00 0.00 C ATOM 1082 CD LYS A 70 -3.882 3.188 16.329 1.00 0.00 C ATOM 1083 CE LYS A 70 -2.574 2.458 16.064 1.00 0.00 C ATOM 1084 NZ LYS A 70 -2.780 0.992 15.900 1.00 0.00 N ATOM 0 H LYS A 70 -5.263 4.051 11.740 1.00 0.00 H new ATOM 0 HA LYS A 70 -5.737 5.481 13.370 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.934 4.832 14.369 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -4.150 5.694 15.291 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -5.631 3.699 15.196 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.411 2.838 14.279 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -3.691 4.067 16.944 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.552 2.542 16.896 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.108 2.862 15.165 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.884 2.638 16.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -1.857 0.518 15.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -3.293 0.619 16.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.334 0.814 15.038 1.00 0.00 H new ATOM 1098 N VAL A 71 -4.092 7.062 11.546 1.00 0.00 N ATOM 1099 CA VAL A 71 -3.604 8.345 11.053 1.00 0.00 C ATOM 1100 C VAL A 71 -4.233 8.692 9.709 1.00 0.00 C ATOM 1101 O VAL A 71 -3.918 8.100 8.676 1.00 0.00 O ATOM 1102 CB VAL A 71 -2.071 8.343 10.906 1.00 0.00 C ATOM 1103 CG1 VAL A 71 -1.579 9.699 10.424 1.00 0.00 C ATOM 1104 CG2 VAL A 71 -1.410 7.963 12.222 1.00 0.00 C ATOM 0 H VAL A 71 -4.399 6.419 10.816 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.890 9.097 11.789 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.796 7.598 10.160 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.494 9.678 10.326 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.026 9.925 9.456 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.864 10.466 11.144 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.327 7.967 12.100 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.691 8.682 12.991 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.738 6.967 12.520 1.00 0.00 H new ATOM 1114 N PRO A 72 -5.144 9.676 9.718 1.00 0.00 N ATOM 1115 CA PRO A 72 -5.836 10.126 8.507 1.00 0.00 C ATOM 1116 C PRO A 72 -4.907 10.863 7.548 1.00 0.00 C ATOM 1117 O PRO A 72 -5.297 11.210 6.432 1.00 0.00 O ATOM 1118 CB PRO A 72 -6.912 11.074 9.044 1.00 0.00 C ATOM 1119 CG PRO A 72 -6.371 11.564 10.342 1.00 0.00 C ATOM 1120 CD PRO A 72 -5.569 10.426 10.912 1.00 0.00 C ATOM 0 HA PRO A 72 -6.234 9.290 7.931 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.093 11.898 8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.862 10.558 9.181 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.748 12.446 10.197 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.177 11.850 11.018 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -4.715 10.785 11.486 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -6.167 9.809 11.582 1.00 0.00 H new ATOM 1128 N THR A 73 -3.675 11.098 7.989 1.00 0.00 N ATOM 1129 CA THR A 73 -2.691 11.794 7.170 1.00 0.00 C ATOM 1130 C THR A 73 -1.707 10.814 6.542 1.00 0.00 C ATOM 1131 O THR A 73 -0.897 11.192 5.696 1.00 0.00 O ATOM 1132 CB THR A 73 -1.907 12.833 7.995 1.00 0.00 C ATOM 1133 OG1 THR A 73 -1.431 12.237 9.208 1.00 0.00 O ATOM 1134 CG2 THR A 73 -2.781 14.034 8.323 1.00 0.00 C ATOM 0 H THR A 73 -3.335 10.816 8.909 1.00 0.00 H new ATOM 0 HA THR A 73 -3.242 12.307 6.382 1.00 0.00 H new ATOM 0 HB THR A 73 -1.059 13.172 7.400 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.157 12.208 9.865 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.206 14.754 8.906 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.118 14.502 7.398 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.646 13.708 8.901 1.00 0.00 H new ATOM 1142 N GLU A 74 -1.783 9.555 6.961 1.00 0.00 N ATOM 1143 CA GLU A 74 -0.898 8.521 6.437 1.00 0.00 C ATOM 1144 C GLU A 74 -1.571 7.750 5.306 1.00 0.00 C ATOM 1145 O GLU A 74 -2.464 6.935 5.541 1.00 0.00 O ATOM 1146 CB GLU A 74 -0.488 7.558 7.553 1.00 0.00 C ATOM 1147 CG GLU A 74 0.740 8.009 8.326 1.00 0.00 C ATOM 1148 CD GLU A 74 1.497 6.851 8.947 1.00 0.00 C ATOM 1149 OE1 GLU A 74 0.847 5.971 9.549 1.00 0.00 O ATOM 1150 OE2 GLU A 74 2.740 6.824 8.830 1.00 0.00 O ATOM 0 H GLU A 74 -2.448 9.226 7.661 1.00 0.00 H new ATOM 0 HA GLU A 74 -0.007 9.008 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -1.321 7.443 8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.295 6.576 7.121 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.405 8.556 7.657 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.436 8.702 9.111 1.00 0.00 H new ATOM 1157 N ARG A 75 -1.138 8.014 4.078 1.00 0.00 N ATOM 1158 CA ARG A 75 -1.699 7.347 2.909 1.00 0.00 C ATOM 1159 C ARG A 75 -0.804 6.197 2.457 1.00 0.00 C ATOM 1160 O ARG A 75 -0.648 5.951 1.261 1.00 0.00 O ATOM 1161 CB ARG A 75 -1.883 8.345 1.765 1.00 0.00 C ATOM 1162 CG ARG A 75 -3.242 9.024 1.761 1.00 0.00 C ATOM 1163 CD ARG A 75 -3.227 10.306 2.579 1.00 0.00 C ATOM 1164 NE ARG A 75 -2.351 11.318 1.995 1.00 0.00 N ATOM 1165 CZ ARG A 75 -2.145 12.513 2.537 1.00 0.00 C ATOM 1166 NH1 ARG A 75 -2.749 12.843 3.670 1.00 0.00 N ATOM 1167 NH2 ARG A 75 -1.333 13.380 1.945 1.00 0.00 N ATOM 0 H ARG A 75 -0.400 8.686 3.866 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.671 6.940 3.186 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.106 9.107 1.830 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -1.742 7.827 0.816 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.534 9.249 0.735 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.991 8.343 2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.240 10.702 2.651 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.898 10.084 3.594 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.871 11.095 1.123 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.373 12.179 4.127 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.589 13.761 4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.867 13.129 1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.175 14.298 2.362 1.00 0.00 H new ATOM 1181 N SER A 76 -0.216 5.496 3.422 1.00 0.00 N ATOM 1182 CA SER A 76 0.667 4.375 3.124 1.00 0.00 C ATOM 1183 C SER A 76 0.818 3.464 4.338 1.00 0.00 C ATOM 1184 O SER A 76 0.777 3.921 5.480 1.00 0.00 O ATOM 1185 CB SER A 76 2.040 4.885 2.681 1.00 0.00 C ATOM 1186 OG SER A 76 1.917 5.881 1.681 1.00 0.00 O ATOM 0 H SER A 76 -0.336 5.685 4.417 1.00 0.00 H new ATOM 0 HA SER A 76 0.221 3.799 2.313 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.574 5.292 3.540 1.00 0.00 H new ATOM 0 HB3 SER A 76 2.634 4.054 2.300 1.00 0.00 H new ATOM 0 HG SER A 76 1.074 5.757 1.198 1.00 0.00 H new ATOM 1192 N ALA A 77 0.992 2.172 4.082 1.00 0.00 N ATOM 1193 CA ALA A 77 1.150 1.195 5.152 1.00 0.00 C ATOM 1194 C ALA A 77 2.039 0.037 4.711 1.00 0.00 C ATOM 1195 O ALA A 77 2.172 -0.238 3.519 1.00 0.00 O ATOM 1196 CB ALA A 77 -0.209 0.679 5.602 1.00 0.00 C ATOM 0 H ALA A 77 1.027 1.777 3.142 1.00 0.00 H new ATOM 0 HA ALA A 77 1.634 1.690 5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.075 -0.050 6.401 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.812 1.511 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.715 0.206 4.761 1.00 0.00 H new ATOM 1202 N VAL A 78 2.645 -0.641 5.681 1.00 0.00 N ATOM 1203 CA VAL A 78 3.520 -1.770 5.393 1.00 0.00 C ATOM 1204 C VAL A 78 3.021 -3.040 6.073 1.00 0.00 C ATOM 1205 O VAL A 78 2.766 -3.053 7.278 1.00 0.00 O ATOM 1206 CB VAL A 78 4.965 -1.491 5.848 1.00 0.00 C ATOM 1207 CG1 VAL A 78 5.856 -2.691 5.565 1.00 0.00 C ATOM 1208 CG2 VAL A 78 5.506 -0.243 5.168 1.00 0.00 C ATOM 0 H VAL A 78 2.545 -0.427 6.673 1.00 0.00 H new ATOM 0 HA VAL A 78 3.508 -1.911 4.312 1.00 0.00 H new ATOM 0 HB VAL A 78 4.961 -1.318 6.924 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.873 -2.475 5.893 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.478 -3.560 6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.857 -2.899 4.495 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.528 -0.061 5.501 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.496 -0.384 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 78 4.882 0.612 5.428 1.00 0.00 H new ATOM 1218 N LEU A 79 2.884 -4.107 5.294 1.00 0.00 N ATOM 1219 CA LEU A 79 2.416 -5.384 5.821 1.00 0.00 C ATOM 1220 C LEU A 79 3.581 -6.344 6.039 1.00 0.00 C ATOM 1221 O LEU A 79 4.233 -6.773 5.086 1.00 0.00 O ATOM 1222 CB LEU A 79 1.397 -6.009 4.867 1.00 0.00 C ATOM 1223 CG LEU A 79 0.240 -5.108 4.436 1.00 0.00 C ATOM 1224 CD1 LEU A 79 -0.448 -5.674 3.203 1.00 0.00 C ATOM 1225 CD2 LEU A 79 -0.756 -4.937 5.574 1.00 0.00 C ATOM 0 H LEU A 79 3.090 -4.113 4.295 1.00 0.00 H new ATOM 0 HA LEU A 79 1.938 -5.198 6.783 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.924 -6.343 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.981 -6.897 5.343 1.00 0.00 H new ATOM 0 HG LEU A 79 0.644 -4.128 4.183 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.269 -5.019 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.269 -5.743 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.838 -6.667 3.428 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.573 -4.293 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.154 -5.911 5.859 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -0.256 -4.485 6.430 1.00 0.00 H new ATOM 1237 N VAL A 80 3.838 -6.679 7.299 1.00 0.00 N ATOM 1238 CA VAL A 80 4.923 -7.591 7.642 1.00 0.00 C ATOM 1239 C VAL A 80 4.389 -8.980 7.973 1.00 0.00 C ATOM 1240 O VAL A 80 3.179 -9.192 8.037 1.00 0.00 O ATOM 1241 CB VAL A 80 5.738 -7.068 8.839 1.00 0.00 C ATOM 1242 CG1 VAL A 80 6.505 -5.811 8.455 1.00 0.00 C ATOM 1243 CG2 VAL A 80 4.828 -6.804 10.029 1.00 0.00 C ATOM 0 H VAL A 80 3.310 -6.332 8.100 1.00 0.00 H new ATOM 0 HA VAL A 80 5.573 -7.653 6.769 1.00 0.00 H new ATOM 0 HB VAL A 80 6.460 -7.832 9.126 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.075 -5.456 9.314 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.187 -6.037 7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 80 5.803 -5.038 8.141 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.421 -6.435 10.866 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.081 -6.059 9.757 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.329 -7.729 10.318 1.00 0.00 H new ATOM 1253 N ASN A 81 5.301 -9.924 8.184 1.00 0.00 N ATOM 1254 CA ASN A 81 4.922 -11.294 8.509 1.00 0.00 C ATOM 1255 C ASN A 81 4.087 -11.907 7.389 1.00 0.00 C ATOM 1256 O ASN A 81 3.025 -12.481 7.634 1.00 0.00 O ATOM 1257 CB ASN A 81 4.139 -11.331 9.823 1.00 0.00 C ATOM 1258 CG ASN A 81 5.047 -11.395 11.035 1.00 0.00 C ATOM 1259 OD1 ASN A 81 5.477 -12.474 11.446 1.00 0.00 O ATOM 1260 ND2 ASN A 81 5.343 -10.238 11.615 1.00 0.00 N ATOM 0 H ASN A 81 6.307 -9.765 8.136 1.00 0.00 H new ATOM 0 HA ASN A 81 5.834 -11.880 8.621 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.508 -10.445 9.892 1.00 0.00 H new ATOM 0 HB3 ASN A 81 3.476 -12.196 9.823 1.00 0.00 H new ATOM 0 HD21 ASN A 81 5.949 -10.219 12.435 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.964 -9.368 11.240 1.00 0.00 H new ATOM 1267 N LEU A 82 4.574 -11.783 6.159 1.00 0.00 N ATOM 1268 CA LEU A 82 3.874 -12.326 5.000 1.00 0.00 C ATOM 1269 C LEU A 82 4.561 -13.589 4.491 1.00 0.00 C ATOM 1270 O LEU A 82 5.705 -13.873 4.846 1.00 0.00 O ATOM 1271 CB LEU A 82 3.808 -11.282 3.884 1.00 0.00 C ATOM 1272 CG LEU A 82 3.071 -9.985 4.221 1.00 0.00 C ATOM 1273 CD1 LEU A 82 3.121 -9.022 3.045 1.00 0.00 C ATOM 1274 CD2 LEU A 82 1.629 -10.278 4.611 1.00 0.00 C ATOM 0 H LEU A 82 5.451 -11.311 5.939 1.00 0.00 H new ATOM 0 HA LEU A 82 2.861 -12.585 5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.827 -11.031 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.327 -11.735 3.018 1.00 0.00 H new ATOM 0 HG LEU A 82 3.569 -9.516 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.592 -8.105 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.159 -8.788 2.810 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.648 -9.482 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.119 -9.344 4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.120 -10.769 3.781 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.614 -10.931 5.484 1.00 0.00 H new ATOM 1286 N LYS A 83 3.856 -14.344 3.655 1.00 0.00 N ATOM 1287 CA LYS A 83 4.398 -15.575 3.093 1.00 0.00 C ATOM 1288 C LYS A 83 5.159 -15.295 1.801 1.00 0.00 C ATOM 1289 O LYS A 83 4.792 -14.406 1.032 1.00 0.00 O ATOM 1290 CB LYS A 83 3.272 -16.577 2.827 1.00 0.00 C ATOM 1291 CG LYS A 83 2.881 -17.392 4.048 1.00 0.00 C ATOM 1292 CD LYS A 83 1.665 -18.260 3.773 1.00 0.00 C ATOM 1293 CE LYS A 83 2.015 -19.447 2.889 1.00 0.00 C ATOM 1294 NZ LYS A 83 2.697 -20.526 3.655 1.00 0.00 N ATOM 0 H LYS A 83 2.907 -14.124 3.352 1.00 0.00 H new ATOM 0 HA LYS A 83 5.092 -16.001 3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.396 -16.039 2.464 1.00 0.00 H new ATOM 0 HB3 LYS A 83 3.581 -17.255 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.718 -18.022 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.670 -16.722 4.881 1.00 0.00 H new ATOM 0 HD2 LYS A 83 1.251 -18.617 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.891 -17.662 3.291 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.106 -19.842 2.435 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.660 -19.116 2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.904 -21.324 3.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.586 -20.161 4.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.079 -20.848 4.427 1.00 0.00 H new ATOM 1308 N LYS A 84 6.221 -16.059 1.568 1.00 0.00 N ATOM 1309 CA LYS A 84 7.033 -15.895 0.368 1.00 0.00 C ATOM 1310 C LYS A 84 6.609 -16.882 -0.715 1.00 0.00 C ATOM 1311 O LYS A 84 6.602 -18.092 -0.497 1.00 0.00 O ATOM 1312 CB LYS A 84 8.514 -16.091 0.700 1.00 0.00 C ATOM 1313 CG LYS A 84 8.785 -17.290 1.592 1.00 0.00 C ATOM 1314 CD LYS A 84 8.743 -16.911 3.063 1.00 0.00 C ATOM 1315 CE LYS A 84 10.072 -16.336 3.528 1.00 0.00 C ATOM 1316 NZ LYS A 84 11.150 -17.364 3.530 1.00 0.00 N ATOM 0 H LYS A 84 6.539 -16.798 2.195 1.00 0.00 H new ATOM 0 HA LYS A 84 6.881 -14.883 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.073 -16.206 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.890 -15.193 1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.046 -18.066 1.394 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.761 -17.711 1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.951 -16.181 3.229 1.00 0.00 H new ATOM 0 HD3 LYS A 84 8.497 -17.790 3.659 1.00 0.00 H new ATOM 0 HE2 LYS A 84 10.358 -15.510 2.877 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.959 -15.926 4.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.902 -17.077 4.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 10.757 -18.279 3.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.545 -17.454 2.572 1.00 0.00 H new ATOM 1330 N GLY A 85 6.257 -16.355 -1.884 1.00 0.00 N ATOM 1331 CA GLY A 85 5.837 -17.204 -2.983 1.00 0.00 C ATOM 1332 C GLY A 85 4.334 -17.392 -3.031 1.00 0.00 C ATOM 1333 O GLY A 85 3.841 -18.520 -3.040 1.00 0.00 O ATOM 0 H GLY A 85 6.255 -15.356 -2.089 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.176 -16.769 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.319 -18.177 -2.890 1.00 0.00 H new ATOM 1337 N VAL A 86 3.601 -16.283 -3.059 1.00 0.00 N ATOM 1338 CA VAL A 86 2.145 -16.329 -3.105 1.00 0.00 C ATOM 1339 C VAL A 86 1.554 -14.932 -3.252 1.00 0.00 C ATOM 1340 O VAL A 86 2.077 -13.963 -2.700 1.00 0.00 O ATOM 1341 CB VAL A 86 1.564 -16.989 -1.840 1.00 0.00 C ATOM 1342 CG1 VAL A 86 1.793 -16.105 -0.623 1.00 0.00 C ATOM 1343 CG2 VAL A 86 0.083 -17.284 -2.025 1.00 0.00 C ATOM 0 H VAL A 86 3.993 -15.341 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 86 1.876 -16.927 -3.975 1.00 0.00 H new ATOM 0 HB VAL A 86 2.081 -17.934 -1.674 1.00 0.00 H new ATOM 0 HG11 VAL A 86 1.376 -16.588 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 86 2.863 -15.951 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.305 -15.143 -0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.311 -17.750 -1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.452 -16.354 -2.216 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.051 -17.960 -2.870 1.00 0.00 H new ATOM 1353 N THR A 87 0.460 -14.833 -4.001 1.00 0.00 N ATOM 1354 CA THR A 87 -0.202 -13.554 -4.222 1.00 0.00 C ATOM 1355 C THR A 87 -0.992 -13.124 -2.991 1.00 0.00 C ATOM 1356 O THR A 87 -1.542 -13.958 -2.272 1.00 0.00 O ATOM 1357 CB THR A 87 -1.152 -13.615 -5.433 1.00 0.00 C ATOM 1358 OG1 THR A 87 -0.627 -14.506 -6.423 1.00 0.00 O ATOM 1359 CG2 THR A 87 -1.347 -12.233 -6.038 1.00 0.00 C ATOM 0 H THR A 87 0.014 -15.624 -4.465 1.00 0.00 H new ATOM 0 HA THR A 87 0.581 -12.823 -4.421 1.00 0.00 H new ATOM 0 HB THR A 87 -2.119 -13.983 -5.090 1.00 0.00 H new ATOM 0 HG1 THR A 87 -1.238 -14.541 -7.189 1.00 0.00 H new ATOM 0 HG21 THR A 87 -2.022 -12.301 -6.891 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.775 -11.565 -5.290 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.385 -11.841 -6.367 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.044 -11.818 -2.755 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.766 -11.277 -1.609 1.00 0.00 C ATOM 1369 C TYR A 88 -2.650 -10.105 -2.025 1.00 0.00 C ATOM 1370 O TYR A 88 -2.154 -9.037 -2.383 1.00 0.00 O ATOM 1371 CB TYR A 88 -0.784 -10.830 -0.525 1.00 0.00 C ATOM 1372 CG TYR A 88 -0.442 -11.918 0.468 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -1.227 -12.127 1.596 1.00 0.00 C ATOM 1374 CD2 TYR A 88 0.665 -12.735 0.280 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -0.918 -13.119 2.507 1.00 0.00 C ATOM 1376 CE2 TYR A 88 0.980 -13.730 1.184 1.00 0.00 C ATOM 1377 CZ TYR A 88 0.186 -13.918 2.296 1.00 0.00 C ATOM 1378 OH TYR A 88 0.497 -14.907 3.201 1.00 0.00 O ATOM 0 H TYR A 88 -0.595 -11.114 -3.341 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.404 -12.065 -1.209 1.00 0.00 H new ATOM 0 HB2 TYR A 88 0.133 -10.481 -0.999 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.209 -9.981 0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.093 -11.504 1.763 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.290 -12.590 -0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -1.537 -13.268 3.379 1.00 0.00 H new ATOM 0 HE2 TYR A 88 1.844 -14.358 1.021 1.00 0.00 H new ATOM 0 HH TYR A 88 -0.325 -15.235 3.622 1.00 0.00 H new ATOM 1388 N GLU A 89 -3.962 -10.314 -1.976 1.00 0.00 N ATOM 1389 CA GLU A 89 -4.915 -9.275 -2.348 1.00 0.00 C ATOM 1390 C GLU A 89 -5.052 -8.239 -1.236 1.00 0.00 C ATOM 1391 O GLU A 89 -5.281 -8.584 -0.076 1.00 0.00 O ATOM 1392 CB GLU A 89 -6.281 -9.892 -2.657 1.00 0.00 C ATOM 1393 CG GLU A 89 -7.180 -8.993 -3.488 1.00 0.00 C ATOM 1394 CD GLU A 89 -8.318 -9.751 -4.143 1.00 0.00 C ATOM 1395 OE1 GLU A 89 -8.076 -10.869 -4.645 1.00 0.00 O ATOM 1396 OE2 GLU A 89 -9.451 -9.227 -4.153 1.00 0.00 O ATOM 0 H GLU A 89 -4.389 -11.193 -1.683 1.00 0.00 H new ATOM 0 HA GLU A 89 -4.539 -8.776 -3.241 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -6.134 -10.834 -3.186 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.784 -10.128 -1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.590 -8.208 -2.853 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.585 -8.502 -4.258 1.00 0.00 H new ATOM 1403 N ILE A 90 -4.909 -6.968 -1.598 1.00 0.00 N ATOM 1404 CA ILE A 90 -5.018 -5.882 -0.632 1.00 0.00 C ATOM 1405 C ILE A 90 -5.835 -4.725 -1.195 1.00 0.00 C ATOM 1406 O ILE A 90 -5.773 -4.429 -2.389 1.00 0.00 O ATOM 1407 CB ILE A 90 -3.631 -5.361 -0.213 1.00 0.00 C ATOM 1408 CG1 ILE A 90 -2.691 -6.530 0.088 1.00 0.00 C ATOM 1409 CG2 ILE A 90 -3.751 -4.446 0.997 1.00 0.00 C ATOM 1410 CD1 ILE A 90 -1.237 -6.226 -0.198 1.00 0.00 C ATOM 0 H ILE A 90 -4.717 -6.665 -2.553 1.00 0.00 H new ATOM 0 HA ILE A 90 -5.524 -6.288 0.244 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.212 -4.786 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.796 -6.809 1.136 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -2.997 -7.393 -0.504 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.762 -4.086 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.389 -3.597 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.188 -4.998 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.629 -7.099 0.039 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.118 -5.976 -1.252 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.914 -5.383 0.413 1.00 0.00 H new ATOM 1422 N LYS A 91 -6.601 -4.071 -0.328 1.00 0.00 N ATOM 1423 CA LYS A 91 -7.429 -2.943 -0.736 1.00 0.00 C ATOM 1424 C LYS A 91 -7.575 -1.935 0.399 1.00 0.00 C ATOM 1425 O LYS A 91 -7.839 -2.307 1.543 1.00 0.00 O ATOM 1426 CB LYS A 91 -8.810 -3.432 -1.179 1.00 0.00 C ATOM 1427 CG LYS A 91 -9.552 -4.211 -0.106 1.00 0.00 C ATOM 1428 CD LYS A 91 -9.242 -5.696 -0.181 1.00 0.00 C ATOM 1429 CE LYS A 91 -10.029 -6.483 0.856 1.00 0.00 C ATOM 1430 NZ LYS A 91 -11.422 -6.756 0.407 1.00 0.00 N ATOM 0 H LYS A 91 -6.665 -4.304 0.663 1.00 0.00 H new ATOM 0 HA LYS A 91 -6.938 -2.449 -1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.413 -2.573 -1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.697 -4.062 -2.061 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -9.277 -3.830 0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.625 -4.056 -0.219 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.478 -6.068 -1.178 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -8.175 -5.854 -0.026 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.521 -7.426 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -10.052 -5.927 1.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -11.924 -7.294 1.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -11.915 -5.856 0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -11.401 -7.309 -0.474 1.00 0.00 H new ATOM 1444 N VAL A 92 -7.402 -0.657 0.076 1.00 0.00 N ATOM 1445 CA VAL A 92 -7.516 0.404 1.069 1.00 0.00 C ATOM 1446 C VAL A 92 -8.782 1.225 0.852 1.00 0.00 C ATOM 1447 O VAL A 92 -9.122 1.573 -0.279 1.00 0.00 O ATOM 1448 CB VAL A 92 -6.296 1.343 1.030 1.00 0.00 C ATOM 1449 CG1 VAL A 92 -6.439 2.448 2.065 1.00 0.00 C ATOM 1450 CG2 VAL A 92 -5.012 0.557 1.251 1.00 0.00 C ATOM 0 H VAL A 92 -7.182 -0.332 -0.866 1.00 0.00 H new ATOM 0 HA VAL A 92 -7.562 -0.079 2.045 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.247 1.806 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.568 3.101 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.338 3.028 1.856 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.514 2.008 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.160 1.236 1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.049 0.065 2.223 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -4.906 -0.194 0.468 1.00 0.00 H new ATOM 1460 N ARG A 93 -9.476 1.532 1.943 1.00 0.00 N ATOM 1461 CA ARG A 93 -10.706 2.312 1.872 1.00 0.00 C ATOM 1462 C ARG A 93 -10.809 3.273 3.053 1.00 0.00 C ATOM 1463 O ARG A 93 -10.389 2.970 4.170 1.00 0.00 O ATOM 1464 CB ARG A 93 -11.922 1.385 1.847 1.00 0.00 C ATOM 1465 CG ARG A 93 -12.333 0.882 3.222 1.00 0.00 C ATOM 1466 CD ARG A 93 -11.413 -0.227 3.707 1.00 0.00 C ATOM 1467 NE ARG A 93 -11.405 -1.369 2.797 1.00 0.00 N ATOM 1468 CZ ARG A 93 -12.307 -2.344 2.834 1.00 0.00 C ATOM 1469 NH1 ARG A 93 -13.283 -2.316 3.731 1.00 0.00 N ATOM 1470 NH2 ARG A 93 -12.233 -3.350 1.972 1.00 0.00 N ATOM 0 H ARG A 93 -9.208 1.253 2.887 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.684 2.896 0.952 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -12.762 1.914 1.397 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -11.704 0.530 1.207 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -12.315 1.708 3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.359 0.515 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -10.400 0.162 3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -11.731 -0.555 4.697 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.667 -1.421 2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -13.343 -1.544 4.395 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -13.974 -3.066 3.757 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -11.483 -3.375 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -12.926 -4.098 2.001 1.00 0.00 H new ATOM 1484 N PRO A 94 -11.381 4.460 2.802 1.00 0.00 N ATOM 1485 CA PRO A 94 -11.553 5.489 3.831 1.00 0.00 C ATOM 1486 C PRO A 94 -12.594 5.098 4.875 1.00 0.00 C ATOM 1487 O PRO A 94 -13.757 4.861 4.547 1.00 0.00 O ATOM 1488 CB PRO A 94 -12.025 6.710 3.037 1.00 0.00 C ATOM 1489 CG PRO A 94 -12.667 6.144 1.818 1.00 0.00 C ATOM 1490 CD PRO A 94 -11.905 4.888 1.494 1.00 0.00 C ATOM 0 HA PRO A 94 -10.635 5.658 4.394 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.730 7.309 3.614 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -11.190 7.361 2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.720 5.926 1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -12.624 6.851 0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.551 4.129 1.052 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.102 5.078 0.782 1.00 0.00 H new ATOM 1498 N TYR A 95 -12.169 5.031 6.131 1.00 0.00 N ATOM 1499 CA TYR A 95 -13.065 4.666 7.223 1.00 0.00 C ATOM 1500 C TYR A 95 -13.197 5.810 8.224 1.00 0.00 C ATOM 1501 O TYR A 95 -12.233 6.524 8.499 1.00 0.00 O ATOM 1502 CB TYR A 95 -12.555 3.410 7.930 1.00 0.00 C ATOM 1503 CG TYR A 95 -11.609 3.700 9.074 1.00 0.00 C ATOM 1504 CD1 TYR A 95 -12.049 4.364 10.213 1.00 0.00 C ATOM 1505 CD2 TYR A 95 -10.277 3.312 9.015 1.00 0.00 C ATOM 1506 CE1 TYR A 95 -11.188 4.633 11.260 1.00 0.00 C ATOM 1507 CE2 TYR A 95 -9.410 3.575 10.058 1.00 0.00 C ATOM 1508 CZ TYR A 95 -9.870 4.236 11.178 1.00 0.00 C ATOM 1509 OH TYR A 95 -9.009 4.500 12.218 1.00 0.00 O ATOM 0 H TYR A 95 -11.210 5.224 6.419 1.00 0.00 H new ATOM 0 HA TYR A 95 -14.049 4.462 6.800 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -13.407 2.845 8.309 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -12.049 2.775 7.203 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -13.081 4.675 10.281 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.913 2.796 8.139 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -11.545 5.151 12.138 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -8.377 3.265 9.997 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.118 4.153 12.001 1.00 0.00 H new ATOM 1519 N PHE A 96 -14.399 5.975 8.767 1.00 0.00 N ATOM 1520 CA PHE A 96 -14.659 7.031 9.739 1.00 0.00 C ATOM 1521 C PHE A 96 -14.812 6.453 11.143 1.00 0.00 C ATOM 1522 O PHE A 96 -13.910 6.562 11.972 1.00 0.00 O ATOM 1523 CB PHE A 96 -15.921 7.807 9.354 1.00 0.00 C ATOM 1524 CG PHE A 96 -16.293 8.874 10.344 1.00 0.00 C ATOM 1525 CD1 PHE A 96 -15.343 9.405 11.201 1.00 0.00 C ATOM 1526 CD2 PHE A 96 -17.594 9.346 10.417 1.00 0.00 C ATOM 1527 CE1 PHE A 96 -15.682 10.387 12.112 1.00 0.00 C ATOM 1528 CE2 PHE A 96 -17.939 10.329 11.326 1.00 0.00 C ATOM 1529 CZ PHE A 96 -16.982 10.849 12.175 1.00 0.00 C ATOM 0 H PHE A 96 -15.207 5.392 8.551 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.807 7.711 9.737 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -15.772 8.265 8.376 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -16.752 7.108 9.255 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -14.325 9.047 11.157 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -18.347 8.941 9.757 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.931 10.793 12.774 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.956 10.690 11.372 1.00 0.00 H new ATOM 0 HZ PHE A 96 -17.250 11.616 12.887 1.00 0.00 H new ATOM 1539 N ASN A 97 -15.962 5.838 11.401 1.00 0.00 N ATOM 1540 CA ASN A 97 -16.235 5.244 12.705 1.00 0.00 C ATOM 1541 C ASN A 97 -16.220 3.721 12.621 1.00 0.00 C ATOM 1542 O ASN A 97 -15.266 3.075 13.056 1.00 0.00 O ATOM 1543 CB ASN A 97 -17.587 5.724 13.234 1.00 0.00 C ATOM 1544 CG ASN A 97 -17.489 7.059 13.946 1.00 0.00 C ATOM 1545 OD1 ASN A 97 -16.425 7.678 13.984 1.00 0.00 O ATOM 1546 ND2 ASN A 97 -18.601 7.511 14.514 1.00 0.00 N ATOM 0 H ASN A 97 -16.719 5.738 10.725 1.00 0.00 H new ATOM 0 HA ASN A 97 -15.451 5.560 13.393 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.289 5.809 12.405 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.991 4.979 13.919 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -18.595 8.404 15.006 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -19.461 6.965 14.458 1.00 0.00 H new ATOM 1553 N GLU A 98 -17.283 3.154 12.060 1.00 0.00 N ATOM 1554 CA GLU A 98 -17.392 1.706 11.920 1.00 0.00 C ATOM 1555 C GLU A 98 -17.574 1.313 10.457 1.00 0.00 C ATOM 1556 O GLU A 98 -17.128 0.248 10.028 1.00 0.00 O ATOM 1557 CB GLU A 98 -18.563 1.178 12.751 1.00 0.00 C ATOM 1558 CG GLU A 98 -19.925 1.533 12.179 1.00 0.00 C ATOM 1559 CD GLU A 98 -20.417 2.890 12.644 1.00 0.00 C ATOM 1560 OE1 GLU A 98 -19.571 3.757 12.947 1.00 0.00 O ATOM 1561 OE2 GLU A 98 -21.650 3.084 12.704 1.00 0.00 O ATOM 0 H GLU A 98 -18.081 3.674 11.695 1.00 0.00 H new ATOM 0 HA GLU A 98 -16.467 1.261 12.285 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -18.482 0.094 12.829 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -18.488 1.577 13.763 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -19.871 1.524 11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -20.647 0.770 12.469 1.00 0.00 H new ATOM 1568 N PHE A 99 -18.233 2.180 9.695 1.00 0.00 N ATOM 1569 CA PHE A 99 -18.476 1.924 8.280 1.00 0.00 C ATOM 1570 C PHE A 99 -17.191 2.074 7.471 1.00 0.00 C ATOM 1571 O PHE A 99 -16.257 2.756 7.893 1.00 0.00 O ATOM 1572 CB PHE A 99 -19.545 2.878 7.744 1.00 0.00 C ATOM 1573 CG PHE A 99 -19.586 4.197 8.462 1.00 0.00 C ATOM 1574 CD1 PHE A 99 -20.298 4.335 9.643 1.00 0.00 C ATOM 1575 CD2 PHE A 99 -18.913 5.298 7.957 1.00 0.00 C ATOM 1576 CE1 PHE A 99 -20.338 5.547 10.307 1.00 0.00 C ATOM 1577 CE2 PHE A 99 -18.949 6.512 8.617 1.00 0.00 C ATOM 1578 CZ PHE A 99 -19.663 6.637 9.792 1.00 0.00 C ATOM 0 H PHE A 99 -18.608 3.066 10.034 1.00 0.00 H new ATOM 0 HA PHE A 99 -18.830 0.898 8.177 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -19.363 3.056 6.684 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -20.521 2.399 7.824 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -20.828 3.486 10.049 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -18.354 5.207 7.037 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -20.896 5.642 11.227 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -18.419 7.362 8.214 1.00 0.00 H new ATOM 0 HZ PHE A 99 -19.694 7.585 10.308 1.00 0.00 H new ATOM 1588 N GLN A 100 -17.152 1.432 6.308 1.00 0.00 N ATOM 1589 CA GLN A 100 -15.982 1.494 5.441 1.00 0.00 C ATOM 1590 C GLN A 100 -16.355 2.020 4.060 1.00 0.00 C ATOM 1591 O GLN A 100 -17.275 1.514 3.419 1.00 0.00 O ATOM 1592 CB GLN A 100 -15.340 0.110 5.317 1.00 0.00 C ATOM 1593 CG GLN A 100 -16.328 -1.035 5.468 1.00 0.00 C ATOM 1594 CD GLN A 100 -16.787 -1.223 6.901 1.00 0.00 C ATOM 1595 OE1 GLN A 100 -16.181 -0.695 7.834 1.00 0.00 O ATOM 1596 NE2 GLN A 100 -17.863 -1.979 7.083 1.00 0.00 N ATOM 0 H GLN A 100 -17.917 0.863 5.945 1.00 0.00 H new ATOM 0 HA GLN A 100 -15.264 2.181 5.889 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -14.851 0.031 4.346 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -14.563 0.010 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.195 -0.848 4.834 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.867 -1.957 5.114 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.334 -2.397 6.281 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.219 -2.142 8.025 1.00 0.00 H new ATOM 1605 N GLY A 101 -15.634 3.041 3.606 1.00 0.00 N ATOM 1606 CA GLY A 101 -15.905 3.620 2.303 1.00 0.00 C ATOM 1607 C GLY A 101 -15.595 2.665 1.168 1.00 0.00 C ATOM 1608 O GLY A 101 -15.100 1.561 1.395 1.00 0.00 O ATOM 0 H GLY A 101 -14.867 3.477 4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -16.953 3.914 2.250 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -15.313 4.527 2.182 1.00 0.00 H new ATOM 1612 N MET A 102 -15.888 3.089 -0.057 1.00 0.00 N ATOM 1613 CA MET A 102 -15.638 2.261 -1.231 1.00 0.00 C ATOM 1614 C MET A 102 -14.209 1.727 -1.225 1.00 0.00 C ATOM 1615 O MET A 102 -13.256 2.477 -1.014 1.00 0.00 O ATOM 1616 CB MET A 102 -15.889 3.064 -2.510 1.00 0.00 C ATOM 1617 CG MET A 102 -17.336 3.031 -2.973 1.00 0.00 C ATOM 1618 SD MET A 102 -17.499 3.226 -4.758 1.00 0.00 S ATOM 1619 CE MET A 102 -17.047 4.948 -4.953 1.00 0.00 C ATOM 0 H MET A 102 -16.298 4.000 -0.262 1.00 0.00 H new ATOM 0 HA MET A 102 -16.324 1.414 -1.201 1.00 0.00 H new ATOM 0 HB2 MET A 102 -15.593 4.100 -2.343 1.00 0.00 H new ATOM 0 HB3 MET A 102 -15.253 2.675 -3.305 1.00 0.00 H new ATOM 0 HG2 MET A 102 -17.788 2.086 -2.672 1.00 0.00 H new ATOM 0 HG3 MET A 102 -17.892 3.824 -2.473 1.00 0.00 H new ATOM 0 HE1 MET A 102 -16.789 5.141 -5.994 1.00 0.00 H new ATOM 0 HE2 MET A 102 -17.887 5.580 -4.665 1.00 0.00 H new ATOM 0 HE3 MET A 102 -16.190 5.173 -4.319 1.00 0.00 H new ATOM 1629 N ASP A 103 -14.068 0.426 -1.458 1.00 0.00 N ATOM 1630 CA ASP A 103 -12.755 -0.209 -1.480 1.00 0.00 C ATOM 1631 C ASP A 103 -12.047 0.054 -2.805 1.00 0.00 C ATOM 1632 O ASP A 103 -12.674 0.064 -3.864 1.00 0.00 O ATOM 1633 CB ASP A 103 -12.890 -1.714 -1.249 1.00 0.00 C ATOM 1634 CG ASP A 103 -14.020 -2.325 -2.053 1.00 0.00 C ATOM 1635 OD1 ASP A 103 -13.973 -2.246 -3.299 1.00 0.00 O ATOM 1636 OD2 ASP A 103 -14.952 -2.883 -1.437 1.00 0.00 O ATOM 0 H ASP A 103 -14.847 -0.209 -1.634 1.00 0.00 H new ATOM 0 HA ASP A 103 -12.156 0.221 -0.677 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.953 -2.205 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -13.060 -1.902 -0.189 1.00 0.00 H new ATOM 1641 N SER A 104 -10.737 0.268 -2.737 1.00 0.00 N ATOM 1642 CA SER A 104 -9.943 0.535 -3.931 1.00 0.00 C ATOM 1643 C SER A 104 -9.761 -0.734 -4.759 1.00 0.00 C ATOM 1644 O SER A 104 -10.059 -1.835 -4.298 1.00 0.00 O ATOM 1645 CB SER A 104 -8.577 1.106 -3.545 1.00 0.00 C ATOM 1646 OG SER A 104 -7.924 1.670 -4.668 1.00 0.00 O ATOM 0 H SER A 104 -10.203 0.262 -1.868 1.00 0.00 H new ATOM 0 HA SER A 104 -10.478 1.268 -4.535 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.702 1.866 -2.774 1.00 0.00 H new ATOM 0 HB3 SER A 104 -7.957 0.317 -3.118 1.00 0.00 H new ATOM 0 HG SER A 104 -8.255 2.580 -4.816 1.00 0.00 H new ATOM 1652 N GLU A 105 -9.271 -0.569 -5.983 1.00 0.00 N ATOM 1653 CA GLU A 105 -9.050 -1.701 -6.875 1.00 0.00 C ATOM 1654 C GLU A 105 -8.126 -2.730 -6.230 1.00 0.00 C ATOM 1655 O GLU A 105 -6.903 -2.597 -6.275 1.00 0.00 O ATOM 1656 CB GLU A 105 -8.453 -1.225 -8.202 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.249 -0.111 -8.862 1.00 0.00 C ATOM 1658 CD GLU A 105 -8.562 0.446 -10.093 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -8.550 -0.247 -11.132 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -8.035 1.576 -10.018 1.00 0.00 O ATOM 0 H GLU A 105 -9.020 0.337 -6.380 1.00 0.00 H new ATOM 0 HA GLU A 105 -10.014 -2.173 -7.067 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.434 -0.879 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.391 -2.071 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.233 -0.488 -9.139 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.406 0.693 -8.143 1.00 0.00 H new ATOM 1667 N SER A 106 -8.720 -3.756 -5.630 1.00 0.00 N ATOM 1668 CA SER A 106 -7.952 -4.806 -4.971 1.00 0.00 C ATOM 1669 C SER A 106 -6.695 -5.140 -5.768 1.00 0.00 C ATOM 1670 O SER A 106 -6.757 -5.813 -6.797 1.00 0.00 O ATOM 1671 CB SER A 106 -8.809 -6.062 -4.799 1.00 0.00 C ATOM 1672 OG SER A 106 -10.029 -5.761 -4.144 1.00 0.00 O ATOM 0 H SER A 106 -9.731 -3.883 -5.586 1.00 0.00 H new ATOM 0 HA SER A 106 -7.653 -4.442 -3.988 1.00 0.00 H new ATOM 0 HB2 SER A 106 -9.015 -6.502 -5.775 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.258 -6.806 -4.224 1.00 0.00 H new ATOM 0 HG SER A 106 -10.559 -6.580 -4.048 1.00 0.00 H new ATOM 1678 N LYS A 107 -5.552 -4.664 -5.285 1.00 0.00 N ATOM 1679 CA LYS A 107 -4.278 -4.911 -5.948 1.00 0.00 C ATOM 1680 C LYS A 107 -3.636 -6.195 -5.433 1.00 0.00 C ATOM 1681 O LYS A 107 -3.455 -6.372 -4.228 1.00 0.00 O ATOM 1682 CB LYS A 107 -3.328 -3.731 -5.730 1.00 0.00 C ATOM 1683 CG LYS A 107 -3.799 -2.442 -6.382 1.00 0.00 C ATOM 1684 CD LYS A 107 -3.953 -2.601 -7.885 1.00 0.00 C ATOM 1685 CE LYS A 107 -3.950 -1.254 -8.591 1.00 0.00 C ATOM 1686 NZ LYS A 107 -4.541 -1.342 -9.955 1.00 0.00 N ATOM 0 H LYS A 107 -5.483 -4.104 -4.435 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.469 -5.024 -7.015 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -3.209 -3.564 -4.659 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -2.345 -3.989 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -4.752 -2.141 -5.948 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -3.086 -1.645 -6.171 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -3.142 -3.218 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -4.883 -3.125 -8.103 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -4.511 -0.532 -7.998 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -2.927 -0.883 -8.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.521 -0.404 -10.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.991 -2.012 -10.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.525 -1.672 -9.886 1.00 0.00 H new ATOM 1700 N THR A 108 -3.293 -7.091 -6.354 1.00 0.00 N ATOM 1701 CA THR A 108 -2.671 -8.359 -5.993 1.00 0.00 C ATOM 1702 C THR A 108 -1.151 -8.249 -6.008 1.00 0.00 C ATOM 1703 O THR A 108 -0.556 -7.865 -7.015 1.00 0.00 O ATOM 1704 CB THR A 108 -3.103 -9.488 -6.948 1.00 0.00 C ATOM 1705 OG1 THR A 108 -3.304 -8.965 -8.266 1.00 0.00 O ATOM 1706 CG2 THR A 108 -4.382 -10.151 -6.459 1.00 0.00 C ATOM 0 H THR A 108 -3.436 -6.962 -7.356 1.00 0.00 H new ATOM 0 HA THR A 108 -3.005 -8.600 -4.984 1.00 0.00 H new ATOM 0 HB THR A 108 -2.311 -10.237 -6.972 1.00 0.00 H new ATOM 0 HG1 THR A 108 -3.577 -9.689 -8.867 1.00 0.00 H new ATOM 0 HG21 THR A 108 -4.667 -10.945 -7.149 1.00 0.00 H new ATOM 0 HG22 THR A 108 -4.217 -10.574 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 108 -5.180 -9.410 -6.409 1.00 0.00 H new ATOM 1714 N VAL A 109 -0.527 -8.590 -4.885 1.00 0.00 N ATOM 1715 CA VAL A 109 0.926 -8.532 -4.769 1.00 0.00 C ATOM 1716 C VAL A 109 1.526 -9.931 -4.679 1.00 0.00 C ATOM 1717 O VAL A 109 1.189 -10.706 -3.784 1.00 0.00 O ATOM 1718 CB VAL A 109 1.358 -7.719 -3.535 1.00 0.00 C ATOM 1719 CG1 VAL A 109 0.802 -8.342 -2.263 1.00 0.00 C ATOM 1720 CG2 VAL A 109 2.875 -7.618 -3.469 1.00 0.00 C ATOM 0 H VAL A 109 -1.005 -8.909 -4.042 1.00 0.00 H new ATOM 0 HA VAL A 109 1.296 -8.038 -5.667 1.00 0.00 H new ATOM 0 HB VAL A 109 0.952 -6.711 -3.625 1.00 0.00 H new ATOM 0 HG11 VAL A 109 1.118 -7.754 -1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.287 -8.358 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.176 -9.361 -2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.163 -7.040 -2.591 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.304 -8.618 -3.402 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.246 -7.123 -4.367 1.00 0.00 H new ATOM 1730 N ARG A 110 2.418 -10.247 -5.612 1.00 0.00 N ATOM 1731 CA ARG A 110 3.066 -11.553 -5.639 1.00 0.00 C ATOM 1732 C ARG A 110 4.454 -11.484 -5.009 1.00 0.00 C ATOM 1733 O ARG A 110 5.385 -10.925 -5.589 1.00 0.00 O ATOM 1734 CB ARG A 110 3.172 -12.064 -7.077 1.00 0.00 C ATOM 1735 CG ARG A 110 3.134 -13.579 -7.189 1.00 0.00 C ATOM 1736 CD ARG A 110 3.333 -14.037 -8.625 1.00 0.00 C ATOM 1737 NE ARG A 110 4.654 -13.678 -9.135 1.00 0.00 N ATOM 1738 CZ ARG A 110 4.935 -12.501 -9.684 1.00 0.00 C ATOM 1739 NH1 ARG A 110 3.992 -11.575 -9.792 1.00 0.00 N ATOM 1740 NH2 ARG A 110 6.160 -12.249 -10.125 1.00 0.00 N ATOM 0 H ARG A 110 2.709 -9.617 -6.359 1.00 0.00 H new ATOM 0 HA ARG A 110 2.456 -12.245 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 110 2.355 -11.644 -7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.100 -11.699 -7.516 1.00 0.00 H new ATOM 0 HG2 ARG A 110 3.910 -14.011 -6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.178 -13.948 -6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 110 3.204 -15.118 -8.682 1.00 0.00 H new ATOM 0 HD3 ARG A 110 2.566 -13.590 -9.258 1.00 0.00 H new ATOM 0 HE ARG A 110 5.402 -14.369 -9.066 1.00 0.00 H new ATOM 0 HH11 ARG A 110 3.049 -11.766 -9.453 1.00 0.00 H new ATOM 0 HH12 ARG A 110 4.210 -10.672 -10.214 1.00 0.00 H new ATOM 0 HH21 ARG A 110 6.888 -12.959 -10.043 1.00 0.00 H new ATOM 0 HH22 ARG A 110 6.375 -11.345 -10.546 1.00 0.00 H new ATOM 1754 N THR A 111 4.586 -12.057 -3.816 1.00 0.00 N ATOM 1755 CA THR A 111 5.858 -12.059 -3.106 1.00 0.00 C ATOM 1756 C THR A 111 6.796 -13.124 -3.662 1.00 0.00 C ATOM 1757 O THR A 111 6.606 -14.318 -3.429 1.00 0.00 O ATOM 1758 CB THR A 111 5.660 -12.303 -1.598 1.00 0.00 C ATOM 1759 OG1 THR A 111 4.986 -13.549 -1.388 1.00 0.00 O ATOM 1760 CG2 THR A 111 4.858 -11.174 -0.968 1.00 0.00 C ATOM 0 H THR A 111 3.827 -12.526 -3.322 1.00 0.00 H new ATOM 0 HA THR A 111 6.302 -11.074 -3.252 1.00 0.00 H new ATOM 0 HB THR A 111 6.642 -12.337 -1.126 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.671 -13.598 -0.461 1.00 0.00 H new ATOM 0 HG21 THR A 111 4.731 -11.368 0.097 1.00 0.00 H new ATOM 0 HG22 THR A 111 5.388 -10.231 -1.104 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.880 -11.113 -1.445 1.00 0.00 H new ATOM 1768 N THR A 112 7.811 -12.685 -4.401 1.00 0.00 N ATOM 1769 CA THR A 112 8.779 -13.601 -4.991 1.00 0.00 C ATOM 1770 C THR A 112 9.239 -14.643 -3.978 1.00 0.00 C ATOM 1771 O THR A 112 9.036 -14.484 -2.775 1.00 0.00 O ATOM 1772 CB THR A 112 10.010 -12.847 -5.530 1.00 0.00 C ATOM 1773 OG1 THR A 112 10.930 -13.771 -6.121 1.00 0.00 O ATOM 1774 CG2 THR A 112 10.702 -12.076 -4.417 1.00 0.00 C ATOM 0 H THR A 112 7.983 -11.701 -4.605 1.00 0.00 H new ATOM 0 HA THR A 112 8.277 -14.101 -5.819 1.00 0.00 H new ATOM 0 HB THR A 112 9.672 -12.138 -6.286 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.709 -13.284 -6.463 1.00 0.00 H new ATOM 0 HG21 THR A 112 11.568 -11.552 -4.821 1.00 0.00 H new ATOM 0 HG22 THR A 112 10.008 -11.353 -3.989 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.027 -12.770 -3.642 1.00 0.00 H new ATOM 1782 N GLU A 113 9.861 -15.709 -4.473 1.00 0.00 N ATOM 1783 CA GLU A 113 10.349 -16.777 -3.609 1.00 0.00 C ATOM 1784 C GLU A 113 11.840 -16.610 -3.327 1.00 0.00 C ATOM 1785 O GLU A 113 12.267 -16.613 -2.173 1.00 0.00 O ATOM 1786 CB GLU A 113 10.090 -18.141 -4.251 1.00 0.00 C ATOM 1787 CG GLU A 113 8.715 -18.709 -3.941 1.00 0.00 C ATOM 1788 CD GLU A 113 8.618 -20.194 -4.230 1.00 0.00 C ATOM 1789 OE1 GLU A 113 9.143 -20.631 -5.275 1.00 0.00 O ATOM 1790 OE2 GLU A 113 8.017 -20.920 -3.411 1.00 0.00 O ATOM 0 H GLU A 113 10.038 -15.855 -5.467 1.00 0.00 H new ATOM 0 HA GLU A 113 9.809 -16.720 -2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 113 10.202 -18.051 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 113 10.850 -18.844 -3.909 1.00 0.00 H new ATOM 0 HG2 GLU A 113 8.481 -18.531 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 113 7.966 -18.179 -4.529 1.00 0.00 H new