USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 913 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 ASN : amide:sc= -4.3! C(o=-7.3!,f=-15!) USER MOD Set 1.2: A 80 ASN : amide:sc= -3.02! C(o=-7.3!,f=-17!) USER MOD Set 2.1: A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 78 HIS : no HE2:sc= 1.05 K(o=1,f=-3.2!) USER MOD Set 3.1: A 23 CYS SG : rot 148:sc= -0.25 USER MOD Set 3.2: A 26 CYS SG : rot -61:sc= -2.59! USER MOD Set 3.3: A 43 CYS SG : rot -131:sc= -0.0947 USER MOD Set 3.4: A 46 CYS SG : rot 135:sc= 0.319 USER MOD Set 4.1: A 35 ASN : amide:sc= -5.02! C(o=-4.8!,f=-9.9!) USER MOD Set 4.2: A 57 HIS : no HD1:sc= 0.182 K(o=-4.8,f=-11) USER MOD Set 5.1: A 33 TYR OH : rot -91:sc= 0.343 USER MOD Set 5.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 5.3: A 61 SER OG : rot -7:sc= 1.57 USER MOD Set 6.1: A 10 MET CE :methyl -122:sc= -1.87! (180deg=-2.38) USER MOD Set 6.2: A 69 GLN : amide:sc= -2.78! K(o=-4.7!,f=-2.8) USER MOD Single : A 9 LYS NZ :NH3+ -167:sc=-0.00384 (180deg=-0.0704) USER MOD Single : A 14 MET CE :methyl -123:sc= -0.332 (180deg=-3.5!) USER MOD Single : A 15 THR OG1 : rot -26:sc= 1.09 USER MOD Single : A 19 HIS : no HE2:sc= -6.01! C(o=-6!,f=-9.9!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.305 K(o=-0.31,f=-4.5!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -145:sc= -1.72! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -1:sc= -1.21 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.449 X(o=-0.45,f=-0.039) USER MOD Single : A 60 LYS NZ :NH3+ -119:sc= -0.147 (180deg=-0.755) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0946 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -4.07! C(o=-4.1!,f=-6.6!) USER MOD Single : A 83 CYS SG : rot 160:sc= -1.23 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc=-0.00968 K(o=-0.0097,f=-0.66) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.163 K(o=-0.16,f=-0.93) USER MOD Single : A 114 LYS NZ :NH3+ -152:sc= -0.302 (180deg=-0.347) USER MOD Single : A 115 TYR OH : rot 31:sc= 0.0277 USER MOD Single : A 117 LYS NZ :NH3+ -165:sc= -0.0095 (180deg=-0.168) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 3.808 -19.909 5.470 1.00 0.00 N ATOM 60 CA GLY A 7 3.148 -18.650 5.177 1.00 0.00 C ATOM 61 C GLY A 7 2.643 -17.955 6.426 1.00 0.00 C ATOM 62 O GLY A 7 3.090 -16.857 6.758 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.843 -17.992 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.311 -18.830 4.502 1.00 0.00 H new ATOM 66 N LEU A 8 1.708 -18.595 7.120 1.00 0.00 N ATOM 67 CA LEU A 8 1.140 -18.031 8.339 1.00 0.00 C ATOM 68 C LEU A 8 2.239 -17.536 9.273 1.00 0.00 C ATOM 69 O LEU A 8 2.269 -16.363 9.648 1.00 0.00 O ATOM 70 CB LEU A 8 0.278 -19.074 9.054 1.00 0.00 C ATOM 71 CG LEU A 8 -1.190 -19.134 8.633 1.00 0.00 C ATOM 72 CD1 LEU A 8 -1.903 -17.839 8.994 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.307 -19.410 7.141 1.00 0.00 C ATOM 0 H LEU A 8 1.327 -19.505 6.859 1.00 0.00 H new ATOM 0 HA LEU A 8 0.516 -17.182 8.061 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.722 -20.056 8.892 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.320 -18.878 10.125 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.669 -19.951 9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.947 -17.901 8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.851 -17.683 10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.423 -17.005 8.483 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.359 -19.449 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.812 -18.615 6.584 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.834 -20.364 6.909 1.00 0.00 H new ATOM 85 N LYS A 9 3.142 -18.436 9.645 1.00 0.00 N ATOM 86 CA LYS A 9 4.246 -18.091 10.533 1.00 0.00 C ATOM 87 C LYS A 9 4.830 -16.729 10.172 1.00 0.00 C ATOM 88 O LYS A 9 5.204 -15.952 11.050 1.00 0.00 O ATOM 89 CB LYS A 9 5.339 -19.161 10.461 1.00 0.00 C ATOM 90 CG LYS A 9 5.068 -20.367 11.344 1.00 0.00 C ATOM 91 CD LYS A 9 5.935 -21.551 10.951 1.00 0.00 C ATOM 92 CE LYS A 9 6.226 -22.449 12.144 1.00 0.00 C ATOM 93 NZ LYS A 9 7.219 -21.838 13.069 1.00 0.00 N ATOM 0 H LYS A 9 3.131 -19.411 9.345 1.00 0.00 H new ATOM 0 HA LYS A 9 3.859 -18.043 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.443 -19.493 9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.291 -18.716 10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.257 -20.106 12.385 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.016 -20.644 11.270 1.00 0.00 H new ATOM 0 HD2 LYS A 9 5.434 -22.128 10.174 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.873 -21.192 10.527 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.300 -22.646 12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.601 -23.410 11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.555 -22.557 13.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.024 -21.472 12.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.772 -21.057 13.591 1.00 0.00 H new ATOM 107 N MET A 10 4.903 -16.446 8.876 1.00 0.00 N ATOM 108 CA MET A 10 5.438 -15.176 8.400 1.00 0.00 C ATOM 109 C MET A 10 4.385 -14.076 8.487 1.00 0.00 C ATOM 110 O MET A 10 4.706 -12.915 8.745 1.00 0.00 O ATOM 111 CB MET A 10 5.931 -15.314 6.958 1.00 0.00 C ATOM 112 CG MET A 10 7.283 -15.997 6.840 1.00 0.00 C ATOM 113 SD MET A 10 8.199 -15.478 5.377 1.00 0.00 S ATOM 114 CE MET A 10 7.189 -16.183 4.077 1.00 0.00 C ATOM 0 H MET A 10 4.598 -17.079 8.136 1.00 0.00 H new ATOM 0 HA MET A 10 6.278 -14.902 9.038 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.196 -15.879 6.384 1.00 0.00 H new ATOM 0 HB3 MET A 10 5.993 -14.323 6.508 1.00 0.00 H new ATOM 0 HG2 MET A 10 7.874 -15.780 7.730 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.138 -17.077 6.809 1.00 0.00 H new ATOM 0 HE1 MET A 10 7.794 -16.859 3.472 1.00 0.00 H new ATOM 0 HE2 MET A 10 6.360 -16.735 4.519 1.00 0.00 H new ATOM 0 HE3 MET A 10 6.798 -15.384 3.447 1.00 0.00 H new ATOM 124 N LEU A 11 3.128 -14.447 8.271 1.00 0.00 N ATOM 125 CA LEU A 11 2.028 -13.491 8.325 1.00 0.00 C ATOM 126 C LEU A 11 2.008 -12.759 9.663 1.00 0.00 C ATOM 127 O LEU A 11 1.881 -11.535 9.710 1.00 0.00 O ATOM 128 CB LEU A 11 0.694 -14.205 8.101 1.00 0.00 C ATOM 129 CG LEU A 11 -0.506 -13.307 7.798 1.00 0.00 C ATOM 130 CD1 LEU A 11 -0.762 -12.351 8.952 1.00 0.00 C ATOM 131 CD2 LEU A 11 -0.282 -12.538 6.504 1.00 0.00 C ATOM 0 H LEU A 11 2.845 -15.403 8.057 1.00 0.00 H new ATOM 0 HA LEU A 11 2.178 -12.757 7.533 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.815 -14.907 7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.466 -14.794 8.990 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.386 -13.938 7.675 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.620 -11.720 8.718 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.967 -12.921 9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.117 -11.725 9.108 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.146 -11.904 6.303 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.609 -11.918 6.599 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.149 -13.241 5.681 1.00 0.00 H new ATOM 143 N ARG A 12 2.136 -13.516 10.747 1.00 0.00 N ATOM 144 CA ARG A 12 2.134 -12.939 12.086 1.00 0.00 C ATOM 145 C ARG A 12 3.180 -11.834 12.204 1.00 0.00 C ATOM 146 O ARG A 12 2.859 -10.695 12.545 1.00 0.00 O ATOM 147 CB ARG A 12 2.402 -14.022 13.132 1.00 0.00 C ATOM 148 CG ARG A 12 1.341 -15.111 13.167 1.00 0.00 C ATOM 149 CD ARG A 12 1.530 -16.035 14.360 1.00 0.00 C ATOM 150 NE ARG A 12 0.329 -16.817 14.641 1.00 0.00 N ATOM 151 CZ ARG A 12 0.160 -17.532 15.748 1.00 0.00 C ATOM 152 NH1 ARG A 12 1.110 -17.563 16.672 1.00 0.00 N ATOM 153 NH2 ARG A 12 -0.960 -18.218 15.932 1.00 0.00 N ATOM 0 H ARG A 12 2.242 -14.530 10.725 1.00 0.00 H new ATOM 0 HA ARG A 12 1.150 -12.505 12.265 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.372 -14.478 12.931 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.466 -13.557 14.116 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.352 -14.655 13.211 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.383 -15.692 12.245 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.365 -16.709 14.168 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.792 -15.445 15.238 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.421 -16.814 13.950 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.973 -17.037 16.534 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.978 -18.113 17.521 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.693 -18.197 15.223 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.088 -18.766 16.782 1.00 0.00 H new ATOM 167 N ASP A 13 4.431 -12.178 11.920 1.00 0.00 N ATOM 168 CA ASP A 13 5.524 -11.216 11.993 1.00 0.00 C ATOM 169 C ASP A 13 5.132 -9.896 11.335 1.00 0.00 C ATOM 170 O ASP A 13 5.398 -8.821 11.872 1.00 0.00 O ATOM 171 CB ASP A 13 6.776 -11.782 11.322 1.00 0.00 C ATOM 172 CG ASP A 13 7.651 -10.699 10.720 1.00 0.00 C ATOM 173 OD1 ASP A 13 8.466 -10.113 11.464 1.00 0.00 O ATOM 174 OD2 ASP A 13 7.521 -10.439 9.506 1.00 0.00 O ATOM 0 H ASP A 13 4.713 -13.116 11.637 1.00 0.00 H new ATOM 0 HA ASP A 13 5.739 -11.027 13.045 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.353 -12.346 12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.481 -12.482 10.541 1.00 0.00 H new ATOM 179 N MET A 14 4.499 -9.987 10.170 1.00 0.00 N ATOM 180 CA MET A 14 4.071 -8.800 9.439 1.00 0.00 C ATOM 181 C MET A 14 3.118 -7.958 10.281 1.00 0.00 C ATOM 182 O MET A 14 3.424 -6.818 10.632 1.00 0.00 O ATOM 183 CB MET A 14 3.393 -9.200 8.127 1.00 0.00 C ATOM 184 CG MET A 14 4.356 -9.322 6.958 1.00 0.00 C ATOM 185 SD MET A 14 3.562 -9.015 5.368 1.00 0.00 S ATOM 186 CE MET A 14 2.500 -10.451 5.237 1.00 0.00 C ATOM 0 H MET A 14 4.271 -10.870 9.712 1.00 0.00 H new ATOM 0 HA MET A 14 4.955 -8.203 9.215 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.882 -10.153 8.267 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.629 -8.462 7.882 1.00 0.00 H new ATOM 0 HG2 MET A 14 5.176 -8.616 7.093 1.00 0.00 H new ATOM 0 HG3 MET A 14 4.793 -10.321 6.955 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.729 -10.990 4.318 1.00 0.00 H new ATOM 0 HE2 MET A 14 2.666 -11.106 6.092 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.458 -10.132 5.221 1.00 0.00 H new ATOM 196 N THR A 15 1.959 -8.526 10.603 1.00 0.00 N ATOM 197 CA THR A 15 0.961 -7.827 11.402 1.00 0.00 C ATOM 198 C THR A 15 1.573 -7.274 12.684 1.00 0.00 C ATOM 199 O THR A 15 1.007 -6.386 13.321 1.00 0.00 O ATOM 200 CB THR A 15 -0.215 -8.752 11.766 1.00 0.00 C ATOM 201 OG1 THR A 15 0.240 -9.816 12.610 1.00 0.00 O ATOM 202 CG2 THR A 15 -0.856 -9.331 10.514 1.00 0.00 C ATOM 0 H THR A 15 1.689 -9.469 10.322 1.00 0.00 H new ATOM 0 HA THR A 15 0.590 -7.002 10.794 1.00 0.00 H new ATOM 0 HB THR A 15 -0.961 -8.161 12.297 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.191 -9.983 12.442 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.684 -9.981 10.797 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.228 -8.520 9.888 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.115 -9.907 9.959 1.00 0.00 H new ATOM 210 N GLY A 16 2.734 -7.803 13.057 1.00 0.00 N ATOM 211 CA GLY A 16 3.404 -7.348 14.262 1.00 0.00 C ATOM 212 C GLY A 16 4.141 -6.040 14.057 1.00 0.00 C ATOM 213 O GLY A 16 4.289 -5.249 14.990 1.00 0.00 O ATOM 0 H GLY A 16 3.223 -8.538 12.547 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.670 -7.227 15.058 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.109 -8.111 14.592 1.00 0.00 H new ATOM 217 N LEU A 17 4.606 -5.810 12.834 1.00 0.00 N ATOM 218 CA LEU A 17 5.334 -4.588 12.509 1.00 0.00 C ATOM 219 C LEU A 17 4.729 -3.387 13.228 1.00 0.00 C ATOM 220 O LEU A 17 3.516 -3.290 13.414 1.00 0.00 O ATOM 221 CB LEU A 17 5.324 -4.352 10.998 1.00 0.00 C ATOM 222 CG LEU A 17 6.012 -5.420 10.147 1.00 0.00 C ATOM 223 CD1 LEU A 17 5.661 -5.239 8.678 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.519 -5.372 10.347 1.00 0.00 C ATOM 0 H LEU A 17 4.492 -6.454 12.051 1.00 0.00 H new ATOM 0 HA LEU A 17 6.364 -4.707 12.844 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.288 -4.267 10.671 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.801 -3.393 10.797 1.00 0.00 H new ATOM 0 HG LEU A 17 5.654 -6.399 10.467 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.159 -6.008 8.087 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.582 -5.324 8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.990 -4.255 8.344 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.992 -6.139 9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.894 -4.391 10.054 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.753 -5.551 11.396 1.00 0.00 H new ATOM 236 N PRO A 18 5.592 -2.446 13.639 1.00 0.00 N ATOM 237 CA PRO A 18 5.165 -1.232 14.341 1.00 0.00 C ATOM 238 C PRO A 18 4.404 -0.274 13.431 1.00 0.00 C ATOM 239 O PRO A 18 3.787 0.683 13.899 1.00 0.00 O ATOM 240 CB PRO A 18 6.485 -0.603 14.796 1.00 0.00 C ATOM 241 CG PRO A 18 7.499 -1.112 13.831 1.00 0.00 C ATOM 242 CD PRO A 18 7.052 -2.496 13.451 1.00 0.00 C ATOM 0 HA PRO A 18 4.478 -1.453 15.158 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.432 0.486 14.777 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.730 -0.893 15.818 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.561 -0.468 12.954 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.491 -1.133 14.282 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.317 -2.735 12.421 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.513 -3.255 14.083 1.00 0.00 H new ATOM 250 N HIS A 19 4.452 -0.538 12.129 1.00 0.00 N ATOM 251 CA HIS A 19 3.765 0.301 11.154 1.00 0.00 C ATOM 252 C HIS A 19 2.494 -0.377 10.653 1.00 0.00 C ATOM 253 O HIS A 19 1.798 0.150 9.786 1.00 0.00 O ATOM 254 CB HIS A 19 4.690 0.611 9.976 1.00 0.00 C ATOM 255 CG HIS A 19 5.660 -0.488 9.670 1.00 0.00 C ATOM 256 ND1 HIS A 19 6.883 -0.608 10.297 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.582 -1.521 8.800 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.515 -1.667 9.824 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.747 -2.239 8.914 1.00 0.00 N ATOM 0 H HIS A 19 4.959 -1.326 11.725 1.00 0.00 H new ATOM 0 HA HIS A 19 3.488 1.234 11.645 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.084 0.807 9.091 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.245 1.524 10.191 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.243 0.022 11.014 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.757 -1.740 8.139 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.493 -2.007 10.129 1.00 0.00 H new ATOM 267 N ASN A 20 2.198 -1.550 11.204 1.00 0.00 N ATOM 268 CA ASN A 20 1.011 -2.301 10.812 1.00 0.00 C ATOM 269 C ASN A 20 0.094 -2.534 12.009 1.00 0.00 C ATOM 270 O ASN A 20 -1.086 -2.844 11.849 1.00 0.00 O ATOM 271 CB ASN A 20 1.412 -3.642 10.194 1.00 0.00 C ATOM 272 CG ASN A 20 1.940 -3.492 8.780 1.00 0.00 C ATOM 273 OD1 ASN A 20 1.854 -2.418 8.184 1.00 0.00 O ATOM 274 ND2 ASN A 20 2.489 -4.572 8.236 1.00 0.00 N ATOM 0 H ASN A 20 2.764 -2.001 11.923 1.00 0.00 H new ATOM 0 HA ASN A 20 0.469 -1.714 10.071 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.174 -4.112 10.816 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.550 -4.309 10.188 1.00 0.00 H new ATOM 0 HD21 ASN A 20 2.861 -4.532 7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 20 2.539 -5.441 8.767 1.00 0.00 H new ATOM 281 N ARG A 21 0.647 -2.382 13.209 1.00 0.00 N ATOM 282 CA ARG A 21 -0.121 -2.576 14.433 1.00 0.00 C ATOM 283 C ARG A 21 -1.561 -2.106 14.252 1.00 0.00 C ATOM 284 O ARG A 21 -2.494 -2.709 14.784 1.00 0.00 O ATOM 285 CB ARG A 21 0.531 -1.822 15.594 1.00 0.00 C ATOM 286 CG ARG A 21 1.986 -2.198 15.823 1.00 0.00 C ATOM 287 CD ARG A 21 2.135 -3.677 16.147 1.00 0.00 C ATOM 288 NE ARG A 21 3.377 -3.958 16.861 1.00 0.00 N ATOM 289 CZ ARG A 21 3.614 -5.098 17.501 1.00 0.00 C ATOM 290 NH1 ARG A 21 2.700 -6.058 17.513 1.00 0.00 N ATOM 291 NH2 ARG A 21 4.769 -5.280 18.128 1.00 0.00 N ATOM 0 H ARG A 21 1.623 -2.125 13.359 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.131 -3.642 14.661 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.467 -0.751 15.402 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.034 -2.017 16.506 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.569 -1.959 14.934 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.393 -1.603 16.640 1.00 0.00 H new ATOM 0 HD2 ARG A 21 1.288 -4.003 16.751 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.109 -4.255 15.223 1.00 0.00 H new ATOM 0 HE ARG A 21 4.102 -3.240 16.869 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.812 -5.923 17.030 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.885 -6.932 18.005 1.00 0.00 H new ATOM 0 HH21 ARG A 21 5.476 -4.545 18.119 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.950 -6.155 18.619 1.00 0.00 H new ATOM 305 N LYS A 22 -1.735 -1.025 13.499 1.00 0.00 N ATOM 306 CA LYS A 22 -3.061 -0.473 13.247 1.00 0.00 C ATOM 307 C LYS A 22 -3.396 -0.520 11.760 1.00 0.00 C ATOM 308 O LYS A 22 -2.582 -0.952 10.943 1.00 0.00 O ATOM 309 CB LYS A 22 -3.141 0.969 13.754 1.00 0.00 C ATOM 310 CG LYS A 22 -3.452 1.076 15.237 1.00 0.00 C ATOM 311 CD LYS A 22 -3.135 2.461 15.774 1.00 0.00 C ATOM 312 CE LYS A 22 -1.686 2.567 16.224 1.00 0.00 C ATOM 313 NZ LYS A 22 -1.358 3.931 16.723 1.00 0.00 N ATOM 0 H LYS A 22 -0.974 -0.514 13.052 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.789 -1.081 13.785 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.194 1.469 13.553 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.908 1.501 13.191 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.505 0.851 15.406 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.875 0.331 15.785 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.333 3.205 15.003 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.795 2.687 16.612 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.496 1.837 17.011 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.028 2.317 15.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.362 3.962 17.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.515 4.625 15.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.968 4.160 17.534 1.00 0.00 H new ATOM 327 N CYS A 23 -4.597 -0.070 11.414 1.00 0.00 N ATOM 328 CA CYS A 23 -5.040 -0.059 10.025 1.00 0.00 C ATOM 329 C CYS A 23 -4.259 0.972 9.214 1.00 0.00 C ATOM 330 O CYS A 23 -3.388 1.663 9.742 1.00 0.00 O ATOM 331 CB CYS A 23 -6.538 0.242 9.947 1.00 0.00 C ATOM 332 SG CYS A 23 -7.375 -0.514 8.517 1.00 0.00 S ATOM 0 H CYS A 23 -5.282 0.292 12.077 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.853 -1.046 9.602 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -7.016 -0.109 10.861 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.679 1.322 9.908 1.00 0.00 H new ATOM 0 HG CYS A 23 -8.603 -0.800 8.834 1.00 0.00 H new ATOM 337 N PHE A 24 -4.579 1.069 7.927 1.00 0.00 N ATOM 338 CA PHE A 24 -3.909 2.015 7.043 1.00 0.00 C ATOM 339 C PHE A 24 -4.670 3.336 6.981 1.00 0.00 C ATOM 340 O PHE A 24 -4.073 4.411 7.029 1.00 0.00 O ATOM 341 CB PHE A 24 -3.775 1.424 5.637 1.00 0.00 C ATOM 342 CG PHE A 24 -2.885 2.226 4.732 1.00 0.00 C ATOM 343 CD1 PHE A 24 -1.529 2.340 4.995 1.00 0.00 C ATOM 344 CD2 PHE A 24 -3.404 2.866 3.618 1.00 0.00 C ATOM 345 CE1 PHE A 24 -0.708 3.079 4.163 1.00 0.00 C ATOM 346 CE2 PHE A 24 -2.588 3.606 2.783 1.00 0.00 C ATOM 347 CZ PHE A 24 -1.238 3.711 3.056 1.00 0.00 C ATOM 0 H PHE A 24 -5.298 0.504 7.474 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.915 2.208 7.446 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.383 0.410 5.714 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.765 1.350 5.187 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -1.109 1.846 5.859 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.459 2.786 3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.347 3.162 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.005 4.101 1.919 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.598 4.287 2.404 1.00 0.00 H new ATOM 357 N ASP A 25 -5.991 3.246 6.874 1.00 0.00 N ATOM 358 CA ASP A 25 -6.835 4.433 6.806 1.00 0.00 C ATOM 359 C ASP A 25 -7.389 4.786 8.183 1.00 0.00 C ATOM 360 O ASP A 25 -7.042 5.818 8.757 1.00 0.00 O ATOM 361 CB ASP A 25 -7.985 4.211 5.821 1.00 0.00 C ATOM 362 CG ASP A 25 -7.580 3.347 4.643 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.394 3.393 4.253 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.449 2.625 4.112 1.00 0.00 O ATOM 0 H ASP A 25 -6.500 2.363 6.832 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.223 5.265 6.457 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.820 3.742 6.342 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.338 5.175 5.456 1.00 0.00 H new ATOM 369 N CYS A 26 -8.252 3.922 8.707 1.00 0.00 N ATOM 370 CA CYS A 26 -8.856 4.142 10.015 1.00 0.00 C ATOM 371 C CYS A 26 -7.854 3.859 11.131 1.00 0.00 C ATOM 372 O CYS A 26 -8.181 3.958 12.314 1.00 0.00 O ATOM 373 CB CYS A 26 -10.090 3.254 10.186 1.00 0.00 C ATOM 374 SG CYS A 26 -9.708 1.515 10.571 1.00 0.00 S ATOM 0 H CYS A 26 -8.549 3.062 8.245 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.157 5.188 10.077 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.711 3.663 10.983 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.681 3.291 9.271 1.00 0.00 H new ATOM 0 HG CYS A 26 -9.024 0.995 9.595 1.00 0.00 H new ATOM 379 N ASP A 27 -6.632 3.506 10.746 1.00 0.00 N ATOM 380 CA ASP A 27 -5.581 3.210 11.713 1.00 0.00 C ATOM 381 C ASP A 27 -6.147 2.470 12.921 1.00 0.00 C ATOM 382 O ASP A 27 -5.698 2.671 14.049 1.00 0.00 O ATOM 383 CB ASP A 27 -4.896 4.501 12.164 1.00 0.00 C ATOM 384 CG ASP A 27 -5.858 5.670 12.243 1.00 0.00 C ATOM 385 OD1 ASP A 27 -6.569 5.786 13.263 1.00 0.00 O ATOM 386 OD2 ASP A 27 -5.898 6.470 11.284 1.00 0.00 O ATOM 0 H ASP A 27 -6.345 3.418 9.771 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.845 2.568 11.229 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.439 4.344 13.141 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.091 4.743 11.470 1.00 0.00 H new ATOM 391 N GLN A 28 -7.135 1.616 12.676 1.00 0.00 N ATOM 392 CA GLN A 28 -7.763 0.848 13.744 1.00 0.00 C ATOM 393 C GLN A 28 -6.795 -0.182 14.316 1.00 0.00 C ATOM 394 O GLN A 28 -6.052 -0.828 13.576 1.00 0.00 O ATOM 395 CB GLN A 28 -9.022 0.150 13.227 1.00 0.00 C ATOM 396 CG GLN A 28 -9.522 -0.958 14.140 1.00 0.00 C ATOM 397 CD GLN A 28 -10.183 -0.426 15.396 1.00 0.00 C ATOM 398 OE1 GLN A 28 -9.800 0.623 15.916 1.00 0.00 O ATOM 399 NE2 GLN A 28 -11.182 -1.147 15.892 1.00 0.00 N ATOM 0 H GLN A 28 -7.518 1.438 11.747 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.040 1.540 14.539 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.812 0.890 13.102 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.817 -0.268 12.241 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.233 -1.579 13.595 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -8.686 -1.599 14.418 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.467 -2.010 15.429 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.664 -0.838 16.736 1.00 0.00 H new ATOM 408 N ARG A 29 -6.808 -0.331 15.636 1.00 0.00 N ATOM 409 CA ARG A 29 -5.930 -1.282 16.307 1.00 0.00 C ATOM 410 C ARG A 29 -6.420 -2.712 16.103 1.00 0.00 C ATOM 411 O ARG A 29 -7.486 -3.090 16.588 1.00 0.00 O ATOM 412 CB ARG A 29 -5.850 -0.968 17.802 1.00 0.00 C ATOM 413 CG ARG A 29 -4.768 0.040 18.156 1.00 0.00 C ATOM 414 CD ARG A 29 -3.407 -0.626 18.284 1.00 0.00 C ATOM 415 NE ARG A 29 -3.330 -1.491 19.458 1.00 0.00 N ATOM 416 CZ ARG A 29 -2.352 -2.367 19.662 1.00 0.00 C ATOM 417 NH1 ARG A 29 -1.374 -2.493 18.775 1.00 0.00 N ATOM 418 NH2 ARG A 29 -2.351 -3.119 20.755 1.00 0.00 N ATOM 0 H ARG A 29 -7.417 0.195 16.263 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.936 -1.191 15.870 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.814 -0.586 18.136 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.667 -1.893 18.349 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.725 0.814 17.389 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.022 0.534 19.094 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.204 -1.212 17.388 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.633 0.139 18.346 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.067 -1.419 20.159 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.371 -1.917 17.934 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.625 -3.166 18.934 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.101 -3.025 21.439 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.600 -3.791 20.911 1.00 0.00 H new ATOM 432 N GLY A 30 -5.633 -3.504 15.380 1.00 0.00 N ATOM 433 CA GLY A 30 -6.004 -4.884 15.123 1.00 0.00 C ATOM 434 C GLY A 30 -6.553 -5.086 13.725 1.00 0.00 C ATOM 435 O GLY A 30 -7.738 -5.359 13.533 1.00 0.00 O ATOM 0 H GLY A 30 -4.746 -3.215 14.968 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.133 -5.523 15.264 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.751 -5.198 15.852 1.00 0.00 H new ATOM 439 N PRO A 31 -5.679 -4.949 12.716 1.00 0.00 N ATOM 440 CA PRO A 31 -6.060 -5.114 11.311 1.00 0.00 C ATOM 441 C PRO A 31 -6.384 -6.563 10.963 1.00 0.00 C ATOM 442 O PRO A 31 -5.702 -7.486 11.408 1.00 0.00 O ATOM 443 CB PRO A 31 -4.817 -4.646 10.549 1.00 0.00 C ATOM 444 CG PRO A 31 -3.689 -4.862 11.497 1.00 0.00 C ATOM 445 CD PRO A 31 -4.251 -4.624 12.871 1.00 0.00 C ATOM 0 HA PRO A 31 -6.963 -4.555 11.066 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.677 -5.216 9.631 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -4.899 -3.597 10.263 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.292 -5.873 11.408 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.867 -4.178 11.288 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.773 -5.259 13.616 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.106 -3.592 13.191 1.00 0.00 H new ATOM 453 N THR A 32 -7.429 -6.756 10.164 1.00 0.00 N ATOM 454 CA THR A 32 -7.844 -8.092 9.758 1.00 0.00 C ATOM 455 C THR A 32 -8.012 -8.179 8.245 1.00 0.00 C ATOM 456 O THR A 32 -8.700 -9.066 7.738 1.00 0.00 O ATOM 457 CB THR A 32 -9.165 -8.501 10.435 1.00 0.00 C ATOM 458 OG1 THR A 32 -10.203 -7.581 10.078 1.00 0.00 O ATOM 459 CG2 THR A 32 -9.010 -8.536 11.948 1.00 0.00 C ATOM 0 H THR A 32 -8.003 -6.003 9.785 1.00 0.00 H new ATOM 0 HA THR A 32 -7.057 -8.777 10.073 1.00 0.00 H new ATOM 0 HB THR A 32 -9.430 -9.500 10.090 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.040 -7.849 10.511 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.956 -8.827 12.404 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.239 -9.258 12.218 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.723 -7.548 12.307 1.00 0.00 H new ATOM 467 N TYR A 33 -7.381 -7.255 7.530 1.00 0.00 N ATOM 468 CA TYR A 33 -7.463 -7.227 6.075 1.00 0.00 C ATOM 469 C TYR A 33 -6.169 -6.694 5.466 1.00 0.00 C ATOM 470 O TYR A 33 -5.372 -6.044 6.143 1.00 0.00 O ATOM 471 CB TYR A 33 -8.644 -6.364 5.626 1.00 0.00 C ATOM 472 CG TYR A 33 -9.957 -7.113 5.578 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.685 -7.353 6.737 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.468 -7.581 4.374 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.885 -8.037 6.698 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.668 -8.264 4.325 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.372 -8.490 5.490 1.00 0.00 C ATOM 478 OH TYR A 33 -13.566 -9.172 5.445 1.00 0.00 O ATOM 0 H TYR A 33 -6.807 -6.515 7.934 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.614 -8.248 5.726 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.743 -5.517 6.305 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.431 -5.957 4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -10.306 -6.999 7.684 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.918 -7.408 3.461 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.438 -8.216 7.608 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.053 -8.619 3.380 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.397 -10.133 5.537 1.00 0.00 H new ATOM 488 N VAL A 34 -5.968 -6.973 4.182 1.00 0.00 N ATOM 489 CA VAL A 34 -4.773 -6.521 3.480 1.00 0.00 C ATOM 490 C VAL A 34 -5.092 -6.144 2.038 1.00 0.00 C ATOM 491 O VAL A 34 -5.587 -6.965 1.266 1.00 0.00 O ATOM 492 CB VAL A 34 -3.676 -7.602 3.486 1.00 0.00 C ATOM 493 CG1 VAL A 34 -3.133 -7.804 4.892 1.00 0.00 C ATOM 494 CG2 VAL A 34 -4.213 -8.908 2.920 1.00 0.00 C ATOM 0 H VAL A 34 -6.617 -7.510 3.607 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.408 -5.641 4.010 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.856 -7.267 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.359 -8.571 4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.709 -6.868 5.256 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.941 -8.117 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.425 -9.661 2.932 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -5.051 -9.250 3.527 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.548 -8.750 1.895 1.00 0.00 H new ATOM 504 N ASN A 35 -4.805 -4.897 1.680 1.00 0.00 N ATOM 505 CA ASN A 35 -5.062 -4.411 0.329 1.00 0.00 C ATOM 506 C ASN A 35 -4.011 -4.933 -0.646 1.00 0.00 C ATOM 507 O ASN A 35 -3.248 -4.159 -1.224 1.00 0.00 O ATOM 508 CB ASN A 35 -5.077 -2.881 0.309 1.00 0.00 C ATOM 509 CG ASN A 35 -5.847 -2.326 -0.873 1.00 0.00 C ATOM 510 OD1 ASN A 35 -6.194 -3.057 -1.801 1.00 0.00 O ATOM 511 ND2 ASN A 35 -6.117 -1.026 -0.845 1.00 0.00 N ATOM 0 H ASN A 35 -4.394 -4.205 2.306 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.038 -4.781 0.016 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.521 -2.513 1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.052 -2.511 0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.632 -0.595 -1.613 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.810 -0.458 -0.055 1.00 0.00 H new ATOM 518 N MET A 36 -3.978 -6.249 -0.823 1.00 0.00 N ATOM 519 CA MET A 36 -3.021 -6.874 -1.729 1.00 0.00 C ATOM 520 C MET A 36 -2.740 -5.974 -2.928 1.00 0.00 C ATOM 521 O MET A 36 -1.620 -5.931 -3.437 1.00 0.00 O ATOM 522 CB MET A 36 -3.548 -8.229 -2.206 1.00 0.00 C ATOM 523 CG MET A 36 -3.718 -9.244 -1.087 1.00 0.00 C ATOM 524 SD MET A 36 -2.245 -9.394 -0.058 1.00 0.00 S ATOM 525 CE MET A 36 -1.227 -10.458 -1.077 1.00 0.00 C ATOM 0 H MET A 36 -4.602 -6.903 -0.352 1.00 0.00 H new ATOM 0 HA MET A 36 -2.089 -7.026 -1.185 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.508 -8.082 -2.701 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.863 -8.634 -2.951 1.00 0.00 H new ATOM 0 HG2 MET A 36 -4.564 -8.954 -0.464 1.00 0.00 H new ATOM 0 HG3 MET A 36 -3.957 -10.217 -1.517 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.278 -10.644 -0.574 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.742 -11.405 -1.242 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.041 -9.974 -2.036 1.00 0.00 H new ATOM 535 N THR A 37 -3.765 -5.255 -3.376 1.00 0.00 N ATOM 536 CA THR A 37 -3.629 -4.358 -4.516 1.00 0.00 C ATOM 537 C THR A 37 -2.502 -3.355 -4.294 1.00 0.00 C ATOM 538 O THR A 37 -1.604 -3.221 -5.125 1.00 0.00 O ATOM 539 CB THR A 37 -4.937 -3.591 -4.787 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.939 -4.490 -5.276 1.00 0.00 O ATOM 541 CG2 THR A 37 -4.712 -2.477 -5.798 1.00 0.00 C ATOM 0 H THR A 37 -4.699 -5.277 -2.966 1.00 0.00 H new ATOM 0 HA THR A 37 -3.395 -4.979 -5.381 1.00 0.00 H new ATOM 0 HB THR A 37 -5.273 -3.147 -3.850 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.502 -4.027 -5.931 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.650 -1.950 -5.973 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.970 -1.779 -5.411 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.355 -2.903 -6.736 1.00 0.00 H new ATOM 549 N VAL A 38 -2.555 -2.652 -3.167 1.00 0.00 N ATOM 550 CA VAL A 38 -1.538 -1.662 -2.835 1.00 0.00 C ATOM 551 C VAL A 38 -0.363 -2.304 -2.105 1.00 0.00 C ATOM 552 O VAL A 38 0.795 -1.978 -2.362 1.00 0.00 O ATOM 553 CB VAL A 38 -2.116 -0.534 -1.960 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.106 0.592 -1.803 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.417 -0.014 -2.554 1.00 0.00 C ATOM 0 H VAL A 38 -3.292 -2.750 -2.469 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.190 -1.239 -3.777 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.329 -0.939 -0.971 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.533 1.379 -1.182 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.202 0.207 -1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.858 0.998 -2.784 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.812 0.783 -1.923 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -3.230 0.375 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.142 -0.826 -2.609 1.00 0.00 H new ATOM 565 N GLY A 39 -0.671 -3.221 -1.192 1.00 0.00 N ATOM 566 CA GLY A 39 0.370 -3.896 -0.439 1.00 0.00 C ATOM 567 C GLY A 39 0.417 -3.452 1.010 1.00 0.00 C ATOM 568 O GLY A 39 1.471 -3.492 1.645 1.00 0.00 O ATOM 0 H GLY A 39 -1.622 -3.508 -0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.205 -4.973 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.336 -3.703 -0.907 1.00 0.00 H new ATOM 572 N SER A 40 -0.728 -3.026 1.535 1.00 0.00 N ATOM 573 CA SER A 40 -0.812 -2.567 2.916 1.00 0.00 C ATOM 574 C SER A 40 -1.776 -3.435 3.719 1.00 0.00 C ATOM 575 O SER A 40 -2.366 -4.379 3.192 1.00 0.00 O ATOM 576 CB SER A 40 -1.261 -1.106 2.964 1.00 0.00 C ATOM 577 OG SER A 40 -2.674 -1.006 2.928 1.00 0.00 O ATOM 0 H SER A 40 -1.610 -2.989 1.024 1.00 0.00 H new ATOM 0 HA SER A 40 0.180 -2.649 3.361 1.00 0.00 H new ATOM 0 HB2 SER A 40 -0.883 -0.636 3.872 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.833 -0.563 2.121 1.00 0.00 H new ATOM 0 HG SER A 40 -2.936 -0.062 2.961 1.00 0.00 H new ATOM 583 N PHE A 41 -1.932 -3.108 4.998 1.00 0.00 N ATOM 584 CA PHE A 41 -2.824 -3.857 5.875 1.00 0.00 C ATOM 585 C PHE A 41 -4.059 -3.033 6.227 1.00 0.00 C ATOM 586 O PHE A 41 -3.954 -1.957 6.817 1.00 0.00 O ATOM 587 CB PHE A 41 -2.090 -4.268 7.153 1.00 0.00 C ATOM 588 CG PHE A 41 -1.160 -5.432 6.962 1.00 0.00 C ATOM 589 CD1 PHE A 41 -0.106 -5.354 6.066 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.340 -6.604 7.679 1.00 0.00 C ATOM 591 CE1 PHE A 41 0.751 -6.423 5.888 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.485 -7.676 7.505 1.00 0.00 C ATOM 593 CZ PHE A 41 0.561 -7.586 6.608 1.00 0.00 C ATOM 0 H PHE A 41 -1.452 -2.329 5.450 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.146 -4.753 5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.521 -3.416 7.526 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.824 -4.521 7.918 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.047 -4.447 5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.157 -6.681 8.381 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.569 -6.349 5.186 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.635 -8.584 8.070 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.229 -8.423 6.470 1.00 0.00 H new ATOM 603 N VAL A 42 -5.229 -3.545 5.861 1.00 0.00 N ATOM 604 CA VAL A 42 -6.485 -2.858 6.138 1.00 0.00 C ATOM 605 C VAL A 42 -7.392 -3.706 7.022 1.00 0.00 C ATOM 606 O VAL A 42 -7.010 -4.789 7.465 1.00 0.00 O ATOM 607 CB VAL A 42 -7.233 -2.510 4.837 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.460 -1.473 4.037 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.473 -3.763 4.010 1.00 0.00 C ATOM 0 H VAL A 42 -5.334 -4.434 5.372 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.233 -1.936 6.661 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.201 -2.083 5.098 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.004 -1.240 3.122 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.345 -0.567 4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.476 -1.868 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.002 -3.499 3.095 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.517 -4.221 3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.072 -4.469 4.585 1.00 0.00 H new ATOM 619 N CYS A 43 -8.598 -3.207 7.275 1.00 0.00 N ATOM 620 CA CYS A 43 -9.561 -3.918 8.106 1.00 0.00 C ATOM 621 C CYS A 43 -10.842 -4.206 7.328 1.00 0.00 C ATOM 622 O CYS A 43 -10.965 -3.847 6.157 1.00 0.00 O ATOM 623 CB CYS A 43 -9.886 -3.102 9.359 1.00 0.00 C ATOM 624 SG CYS A 43 -10.984 -1.680 9.057 1.00 0.00 S ATOM 0 H CYS A 43 -8.931 -2.312 6.916 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.115 -4.867 8.404 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.352 -3.757 10.095 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.955 -2.742 9.797 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.479 -0.617 9.609 1.00 0.00 H new ATOM 629 N THR A 44 -11.795 -4.858 7.988 1.00 0.00 N ATOM 630 CA THR A 44 -13.066 -5.196 7.360 1.00 0.00 C ATOM 631 C THR A 44 -13.806 -3.942 6.908 1.00 0.00 C ATOM 632 O THR A 44 -14.489 -3.948 5.884 1.00 0.00 O ATOM 633 CB THR A 44 -13.970 -5.996 8.316 1.00 0.00 C ATOM 634 OG1 THR A 44 -15.122 -6.475 7.614 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.408 -5.136 9.492 1.00 0.00 C ATOM 0 H THR A 44 -11.710 -5.162 8.958 1.00 0.00 H new ATOM 0 HA THR A 44 -12.835 -5.812 6.491 1.00 0.00 H new ATOM 0 HB THR A 44 -13.399 -6.843 8.698 1.00 0.00 H new ATOM 0 HG1 THR A 44 -15.691 -6.984 8.228 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.046 -5.722 10.154 1.00 0.00 H new ATOM 0 HG22 THR A 44 -13.530 -4.796 10.041 1.00 0.00 H new ATOM 0 HG23 THR A 44 -14.963 -4.273 9.125 1.00 0.00 H new ATOM 643 N SER A 45 -13.665 -2.868 7.677 1.00 0.00 N ATOM 644 CA SER A 45 -14.324 -1.607 7.357 1.00 0.00 C ATOM 645 C SER A 45 -13.748 -1.002 6.080 1.00 0.00 C ATOM 646 O SER A 45 -14.428 -0.916 5.057 1.00 0.00 O ATOM 647 CB SER A 45 -14.173 -0.619 8.516 1.00 0.00 C ATOM 648 OG SER A 45 -15.004 0.514 8.332 1.00 0.00 O ATOM 0 H SER A 45 -13.100 -2.845 8.526 1.00 0.00 H new ATOM 0 HA SER A 45 -15.383 -1.809 7.197 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.428 -1.112 9.454 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.133 -0.302 8.595 1.00 0.00 H new ATOM 0 HG SER A 45 -14.890 1.129 9.087 1.00 0.00 H new ATOM 654 N CYS A 46 -12.489 -0.582 6.148 1.00 0.00 N ATOM 655 CA CYS A 46 -11.818 0.016 5.000 1.00 0.00 C ATOM 656 C CYS A 46 -11.915 -0.895 3.779 1.00 0.00 C ATOM 657 O CYS A 46 -12.257 -0.447 2.684 1.00 0.00 O ATOM 658 CB CYS A 46 -10.350 0.293 5.327 1.00 0.00 C ATOM 659 SG CYS A 46 -10.100 1.300 6.824 1.00 0.00 S ATOM 0 H CYS A 46 -11.912 -0.645 6.987 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.316 0.958 4.770 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.831 -0.657 5.450 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.889 0.800 4.479 1.00 0.00 H new ATOM 0 HG CYS A 46 -9.151 0.779 7.544 1.00 0.00 H new ATOM 664 N SER A 47 -11.613 -2.174 3.976 1.00 0.00 N ATOM 665 CA SER A 47 -11.662 -3.147 2.891 1.00 0.00 C ATOM 666 C SER A 47 -12.928 -2.968 2.058 1.00 0.00 C ATOM 667 O SER A 47 -12.930 -3.208 0.851 1.00 0.00 O ATOM 668 CB SER A 47 -11.603 -4.569 3.450 1.00 0.00 C ATOM 669 OG SER A 47 -12.618 -4.781 4.416 1.00 0.00 O ATOM 0 H SER A 47 -11.332 -2.561 4.877 1.00 0.00 H new ATOM 0 HA SER A 47 -10.798 -2.981 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 47 -11.714 -5.287 2.638 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.626 -4.746 3.900 1.00 0.00 H new ATOM 0 HG SER A 47 -13.133 -3.956 4.536 1.00 0.00 H new ATOM 675 N GLY A 48 -14.005 -2.544 2.713 1.00 0.00 N ATOM 676 CA GLY A 48 -15.263 -2.340 2.018 1.00 0.00 C ATOM 677 C GLY A 48 -15.318 -1.008 1.298 1.00 0.00 C ATOM 678 O GLY A 48 -16.006 -0.869 0.286 1.00 0.00 O ATOM 0 H GLY A 48 -14.029 -2.338 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -15.412 -3.145 1.298 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -16.083 -2.397 2.734 1.00 0.00 H new ATOM 682 N SER A 49 -14.593 -0.024 1.820 1.00 0.00 N ATOM 683 CA SER A 49 -14.566 1.306 1.223 1.00 0.00 C ATOM 684 C SER A 49 -13.679 1.327 -0.018 1.00 0.00 C ATOM 685 O SER A 49 -14.053 1.878 -1.054 1.00 0.00 O ATOM 686 CB SER A 49 -14.066 2.335 2.239 1.00 0.00 C ATOM 687 OG SER A 49 -14.547 3.632 1.931 1.00 0.00 O ATOM 0 H SER A 49 -14.016 -0.123 2.655 1.00 0.00 H new ATOM 0 HA SER A 49 -15.583 1.564 0.926 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.392 2.051 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.976 2.341 2.249 1.00 0.00 H new ATOM 0 HG SER A 49 -14.215 4.271 2.596 1.00 0.00 H new ATOM 693 N LEU A 50 -12.501 0.722 0.095 1.00 0.00 N ATOM 694 CA LEU A 50 -11.558 0.670 -1.017 1.00 0.00 C ATOM 695 C LEU A 50 -12.228 0.123 -2.274 1.00 0.00 C ATOM 696 O LEU A 50 -11.987 0.609 -3.379 1.00 0.00 O ATOM 697 CB LEU A 50 -10.353 -0.196 -0.649 1.00 0.00 C ATOM 698 CG LEU A 50 -9.446 0.349 0.455 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.556 -0.753 1.007 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.606 1.505 -0.068 1.00 0.00 C ATOM 0 H LEU A 50 -12.176 0.261 0.945 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.219 1.685 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.716 -1.177 -0.342 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.751 -0.345 -1.545 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.074 0.720 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.918 -0.346 1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.176 -1.549 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.935 -1.155 0.206 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.967 1.881 0.731 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.987 1.160 -0.896 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -9.262 2.304 -0.414 1.00 0.00 H new ATOM 712 N ARG A 51 -13.071 -0.889 -2.096 1.00 0.00 N ATOM 713 CA ARG A 51 -13.776 -1.502 -3.215 1.00 0.00 C ATOM 714 C ARG A 51 -14.681 -0.487 -3.908 1.00 0.00 C ATOM 715 O ARG A 51 -14.891 -0.553 -5.118 1.00 0.00 O ATOM 716 CB ARG A 51 -14.604 -2.694 -2.733 1.00 0.00 C ATOM 717 CG ARG A 51 -13.768 -3.815 -2.137 1.00 0.00 C ATOM 718 CD ARG A 51 -14.604 -4.719 -1.245 1.00 0.00 C ATOM 719 NE ARG A 51 -15.210 -5.817 -1.993 1.00 0.00 N ATOM 720 CZ ARG A 51 -16.148 -6.616 -1.495 1.00 0.00 C ATOM 721 NH1 ARG A 51 -16.585 -6.439 -0.256 1.00 0.00 N ATOM 722 NH2 ARG A 51 -16.652 -7.593 -2.238 1.00 0.00 N ATOM 0 H ARG A 51 -13.282 -1.302 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.033 -1.851 -3.932 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.320 -2.350 -1.987 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.180 -3.088 -3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.323 -4.404 -2.939 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.947 -3.391 -1.559 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.977 -5.124 -0.450 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.387 -4.131 -0.765 1.00 0.00 H new ATOM 0 HE ARG A 51 -14.896 -5.980 -2.950 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.201 -5.688 0.318 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.305 -7.054 0.124 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.320 -7.731 -3.192 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.372 -8.206 -1.855 1.00 0.00 H new ATOM 736 N GLY A 52 -15.214 0.451 -3.131 1.00 0.00 N ATOM 737 CA GLY A 52 -16.091 1.465 -3.687 1.00 0.00 C ATOM 738 C GLY A 52 -15.404 2.310 -4.741 1.00 0.00 C ATOM 739 O GLY A 52 -16.031 2.735 -5.713 1.00 0.00 O ATOM 0 H GLY A 52 -15.054 0.527 -2.126 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.966 0.984 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.450 2.110 -2.885 1.00 0.00 H new ATOM 743 N LEU A 53 -14.112 2.556 -4.550 1.00 0.00 N ATOM 744 CA LEU A 53 -13.339 3.358 -5.492 1.00 0.00 C ATOM 745 C LEU A 53 -13.403 2.763 -6.895 1.00 0.00 C ATOM 746 O LEU A 53 -13.947 1.678 -7.095 1.00 0.00 O ATOM 747 CB LEU A 53 -11.883 3.457 -5.033 1.00 0.00 C ATOM 748 CG LEU A 53 -11.663 3.916 -3.591 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.255 3.575 -3.131 1.00 0.00 C ATOM 750 CD2 LEU A 53 -11.921 5.410 -3.463 1.00 0.00 C ATOM 0 H LEU A 53 -13.578 2.212 -3.752 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.773 4.357 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.417 2.480 -5.157 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.360 4.146 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.369 3.389 -2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.117 3.909 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.106 2.497 -3.185 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.531 4.074 -3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -11.760 5.720 -2.430 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.239 5.954 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -12.950 5.628 -3.751 1.00 0.00 H new ATOM 762 N ASN A 54 -12.842 3.481 -7.863 1.00 0.00 N ATOM 763 CA ASN A 54 -12.834 3.023 -9.247 1.00 0.00 C ATOM 764 C ASN A 54 -11.528 3.405 -9.939 1.00 0.00 C ATOM 765 O ASN A 54 -11.179 4.580 -10.055 1.00 0.00 O ATOM 766 CB ASN A 54 -14.020 3.616 -10.010 1.00 0.00 C ATOM 767 CG ASN A 54 -14.048 3.184 -11.463 1.00 0.00 C ATOM 768 OD1 ASN A 54 -13.923 4.008 -12.369 1.00 0.00 O ATOM 769 ND2 ASN A 54 -14.212 1.886 -11.691 1.00 0.00 N ATOM 0 H ASN A 54 -12.387 4.382 -7.714 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.919 1.936 -9.244 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.948 3.312 -9.526 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.974 4.704 -9.958 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.238 1.536 -12.649 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.311 1.239 -10.908 1.00 0.00 H new ATOM 776 N PRO A 55 -10.790 2.390 -10.411 1.00 0.00 N ATOM 777 CA PRO A 55 -11.195 0.987 -10.279 1.00 0.00 C ATOM 778 C PRO A 55 -11.125 0.497 -8.837 1.00 0.00 C ATOM 779 O PRO A 55 -10.402 1.045 -8.004 1.00 0.00 O ATOM 780 CB PRO A 55 -10.180 0.241 -11.148 1.00 0.00 C ATOM 781 CG PRO A 55 -8.980 1.124 -11.171 1.00 0.00 C ATOM 782 CD PRO A 55 -9.501 2.533 -11.110 1.00 0.00 C ATOM 0 HA PRO A 55 -12.231 0.831 -10.582 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.944 -0.737 -10.729 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.567 0.073 -12.153 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.324 0.914 -10.326 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.395 0.963 -12.076 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.821 3.190 -10.568 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.629 2.958 -12.106 1.00 0.00 H new ATOM 790 N PRO A 56 -11.892 -0.560 -8.532 1.00 0.00 N ATOM 791 CA PRO A 56 -11.933 -1.148 -7.190 1.00 0.00 C ATOM 792 C PRO A 56 -10.635 -1.863 -6.830 1.00 0.00 C ATOM 793 O PRO A 56 -10.013 -2.505 -7.677 1.00 0.00 O ATOM 794 CB PRO A 56 -13.089 -2.148 -7.276 1.00 0.00 C ATOM 795 CG PRO A 56 -13.177 -2.501 -8.720 1.00 0.00 C ATOM 796 CD PRO A 56 -12.779 -1.263 -9.474 1.00 0.00 C ATOM 0 HA PRO A 56 -12.063 -0.391 -6.417 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.897 -3.029 -6.664 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.020 -1.709 -6.918 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.515 -3.333 -8.959 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.188 -2.811 -8.985 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.265 -1.507 -10.404 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.646 -0.657 -9.738 1.00 0.00 H new ATOM 804 N HIS A 57 -10.232 -1.748 -5.569 1.00 0.00 N ATOM 805 CA HIS A 57 -9.007 -2.386 -5.097 1.00 0.00 C ATOM 806 C HIS A 57 -9.278 -3.820 -4.652 1.00 0.00 C ATOM 807 O HIS A 57 -10.416 -4.287 -4.689 1.00 0.00 O ATOM 808 CB HIS A 57 -8.403 -1.586 -3.942 1.00 0.00 C ATOM 809 CG HIS A 57 -7.856 -0.255 -4.357 1.00 0.00 C ATOM 810 ND1 HIS A 57 -7.036 0.506 -3.551 1.00 0.00 N ATOM 811 CD2 HIS A 57 -8.013 0.449 -5.503 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.715 1.622 -4.182 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.294 1.611 -5.369 1.00 0.00 N ATOM 0 H HIS A 57 -10.735 -1.220 -4.856 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.297 -2.409 -5.923 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.166 -1.434 -3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.605 -2.171 -3.484 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.595 0.152 -6.363 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -6.086 2.409 -3.793 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.219 2.346 -6.072 1.00 0.00 H new ATOM 821 N ARG A 58 -8.224 -4.512 -4.232 1.00 0.00 N ATOM 822 CA ARG A 58 -8.348 -5.893 -3.782 1.00 0.00 C ATOM 823 C ARG A 58 -8.125 -5.996 -2.276 1.00 0.00 C ATOM 824 O ARG A 58 -7.257 -5.323 -1.718 1.00 0.00 O ATOM 825 CB ARG A 58 -7.346 -6.784 -4.518 1.00 0.00 C ATOM 826 CG ARG A 58 -7.805 -8.226 -4.663 1.00 0.00 C ATOM 827 CD ARG A 58 -8.594 -8.434 -5.946 1.00 0.00 C ATOM 828 NE ARG A 58 -9.318 -9.702 -5.945 1.00 0.00 N ATOM 829 CZ ARG A 58 -10.380 -9.941 -5.184 1.00 0.00 C ATOM 830 NH1 ARG A 58 -10.840 -9.002 -4.369 1.00 0.00 N ATOM 831 NH2 ARG A 58 -10.985 -11.121 -5.239 1.00 0.00 N ATOM 0 H ARG A 58 -7.275 -4.139 -4.194 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.359 -6.232 -4.007 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.163 -6.369 -5.509 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.396 -6.766 -3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.938 -8.887 -4.657 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.422 -8.500 -3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -9.300 -7.614 -6.074 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.915 -8.405 -6.798 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.990 -10.445 -6.562 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.378 -8.094 -4.325 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.656 -9.188 -3.786 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.634 -11.845 -5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -11.801 -11.304 -4.654 1.00 0.00 H new ATOM 845 N VAL A 59 -8.914 -6.843 -1.622 1.00 0.00 N ATOM 846 CA VAL A 59 -8.803 -7.034 -0.181 1.00 0.00 C ATOM 847 C VAL A 59 -9.164 -8.462 0.213 1.00 0.00 C ATOM 848 O VAL A 59 -10.173 -9.006 -0.237 1.00 0.00 O ATOM 849 CB VAL A 59 -9.711 -6.056 0.587 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.979 -4.751 0.861 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.997 -5.804 -0.186 1.00 0.00 C ATOM 0 H VAL A 59 -9.637 -7.408 -2.068 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.764 -6.838 0.085 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.972 -6.506 1.545 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.636 -4.072 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.090 -4.951 1.459 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.686 -4.293 -0.084 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.627 -5.111 0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.758 -5.375 -1.159 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.529 -6.745 -0.325 1.00 0.00 H new ATOM 861 N LYS A 60 -8.334 -9.065 1.057 1.00 0.00 N ATOM 862 CA LYS A 60 -8.565 -10.430 1.515 1.00 0.00 C ATOM 863 C LYS A 60 -8.322 -10.549 3.016 1.00 0.00 C ATOM 864 O LYS A 60 -7.229 -10.260 3.502 1.00 0.00 O ATOM 865 CB LYS A 60 -7.656 -11.403 0.762 1.00 0.00 C ATOM 866 CG LYS A 60 -8.178 -11.782 -0.613 1.00 0.00 C ATOM 867 CD LYS A 60 -7.051 -12.211 -1.539 1.00 0.00 C ATOM 868 CE LYS A 60 -6.780 -13.703 -1.432 1.00 0.00 C ATOM 869 NZ LYS A 60 -7.953 -14.513 -1.861 1.00 0.00 N ATOM 0 H LYS A 60 -7.494 -8.629 1.438 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.606 -10.683 1.312 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.668 -10.956 0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.534 -12.308 1.357 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.901 -12.593 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.706 -10.934 -1.049 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.308 -11.960 -2.568 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -6.145 -11.657 -1.293 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.917 -13.960 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.524 -13.952 -0.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.281 -15.097 -1.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -8.720 -13.880 -2.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.679 -15.129 -2.652 1.00 0.00 H new ATOM 883 N SER A 61 -9.348 -10.977 3.746 1.00 0.00 N ATOM 884 CA SER A 61 -9.246 -11.132 5.192 1.00 0.00 C ATOM 885 C SER A 61 -7.938 -11.819 5.574 1.00 0.00 C ATOM 886 O SER A 61 -7.390 -12.607 4.802 1.00 0.00 O ATOM 887 CB SER A 61 -10.432 -11.937 5.725 1.00 0.00 C ATOM 888 OG SER A 61 -11.606 -11.144 5.771 1.00 0.00 O ATOM 0 H SER A 61 -10.259 -11.222 3.359 1.00 0.00 H new ATOM 0 HA SER A 61 -9.259 -10.139 5.641 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.601 -12.806 5.089 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.203 -12.311 6.723 1.00 0.00 H new ATOM 0 HG SER A 61 -11.381 -10.214 5.557 1.00 0.00 H new ATOM 894 N ILE A 62 -7.444 -11.514 6.769 1.00 0.00 N ATOM 895 CA ILE A 62 -6.202 -12.103 7.254 1.00 0.00 C ATOM 896 C ILE A 62 -6.462 -13.424 7.970 1.00 0.00 C ATOM 897 O ILE A 62 -5.633 -14.333 7.938 1.00 0.00 O ATOM 898 CB ILE A 62 -5.464 -11.149 8.212 1.00 0.00 C ATOM 899 CG1 ILE A 62 -5.057 -9.869 7.479 1.00 0.00 C ATOM 900 CG2 ILE A 62 -4.243 -11.836 8.807 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.573 -8.773 8.402 1.00 0.00 C ATOM 0 H ILE A 62 -7.884 -10.863 7.419 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.576 -12.284 6.380 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.139 -10.881 9.025 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.269 -10.104 6.763 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.908 -9.501 6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.732 -11.149 9.482 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.557 -12.721 9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.565 -12.130 8.006 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.302 -7.896 7.814 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.366 -8.510 9.102 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.702 -9.122 8.956 1.00 0.00 H new ATOM 913 N SER A 63 -7.621 -13.523 8.614 1.00 0.00 N ATOM 914 CA SER A 63 -7.990 -14.733 9.340 1.00 0.00 C ATOM 915 C SER A 63 -8.917 -15.608 8.502 1.00 0.00 C ATOM 916 O SER A 63 -8.638 -16.784 8.272 1.00 0.00 O ATOM 917 CB SER A 63 -8.670 -14.371 10.662 1.00 0.00 C ATOM 918 OG SER A 63 -8.849 -15.519 11.474 1.00 0.00 O ATOM 0 H SER A 63 -8.320 -12.781 8.648 1.00 0.00 H new ATOM 0 HA SER A 63 -7.079 -15.294 9.549 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.068 -13.635 11.195 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.637 -13.908 10.463 1.00 0.00 H new ATOM 0 HG SER A 63 -9.284 -15.261 12.314 1.00 0.00 H new ATOM 924 N MET A 64 -10.021 -15.024 8.047 1.00 0.00 N ATOM 925 CA MET A 64 -10.989 -15.749 7.232 1.00 0.00 C ATOM 926 C MET A 64 -10.329 -16.315 5.979 1.00 0.00 C ATOM 927 O MET A 64 -10.633 -17.430 5.553 1.00 0.00 O ATOM 928 CB MET A 64 -12.149 -14.832 6.843 1.00 0.00 C ATOM 929 CG MET A 64 -13.429 -15.580 6.506 1.00 0.00 C ATOM 930 SD MET A 64 -13.999 -16.625 7.860 1.00 0.00 S ATOM 931 CE MET A 64 -14.920 -15.440 8.838 1.00 0.00 C ATOM 0 H MET A 64 -10.267 -14.051 8.229 1.00 0.00 H new ATOM 0 HA MET A 64 -11.375 -16.579 7.823 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.347 -14.142 7.663 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.853 -14.230 5.984 1.00 0.00 H new ATOM 0 HG2 MET A 64 -14.209 -14.862 6.253 1.00 0.00 H new ATOM 0 HG3 MET A 64 -13.264 -16.196 5.622 1.00 0.00 H new ATOM 0 HE1 MET A 64 -15.336 -15.937 9.714 1.00 0.00 H new ATOM 0 HE2 MET A 64 -14.256 -14.637 9.157 1.00 0.00 H new ATOM 0 HE3 MET A 64 -15.730 -15.024 8.238 1.00 0.00 H new ATOM 941 N THR A 65 -9.424 -15.539 5.390 1.00 0.00 N ATOM 942 CA THR A 65 -8.723 -15.962 4.184 1.00 0.00 C ATOM 943 C THR A 65 -7.243 -16.198 4.463 1.00 0.00 C ATOM 944 O THR A 65 -6.577 -15.370 5.085 1.00 0.00 O ATOM 945 CB THR A 65 -8.861 -14.919 3.059 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.245 -14.650 2.808 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.196 -15.410 1.782 1.00 0.00 C ATOM 0 H THR A 65 -9.159 -14.614 5.729 1.00 0.00 H new ATOM 0 HA THR A 65 -9.183 -16.896 3.862 1.00 0.00 H new ATOM 0 HB THR A 65 -8.365 -14.003 3.380 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.324 -13.985 2.093 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.306 -14.657 1.002 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.137 -15.587 1.968 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.668 -16.338 1.460 1.00 0.00 H new ATOM 955 N THR A 66 -6.732 -17.334 3.999 1.00 0.00 N ATOM 956 CA THR A 66 -5.330 -17.680 4.199 1.00 0.00 C ATOM 957 C THR A 66 -4.483 -17.254 3.005 1.00 0.00 C ATOM 958 O THR A 66 -4.984 -17.134 1.887 1.00 0.00 O ATOM 959 CB THR A 66 -5.152 -19.193 4.427 1.00 0.00 C ATOM 960 OG1 THR A 66 -5.709 -19.567 5.691 1.00 0.00 O ATOM 961 CG2 THR A 66 -3.681 -19.577 4.382 1.00 0.00 C ATOM 0 H THR A 66 -7.268 -18.031 3.482 1.00 0.00 H new ATOM 0 HA THR A 66 -4.996 -17.144 5.088 1.00 0.00 H new ATOM 0 HB THR A 66 -5.674 -19.722 3.630 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.593 -20.531 5.827 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.580 -20.650 4.546 1.00 0.00 H new ATOM 0 HG22 THR A 66 -3.267 -19.318 3.408 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.140 -19.039 5.161 1.00 0.00 H new ATOM 969 N PHE A 67 -3.197 -17.027 3.250 1.00 0.00 N ATOM 970 CA PHE A 67 -2.280 -16.613 2.194 1.00 0.00 C ATOM 971 C PHE A 67 -1.222 -17.683 1.943 1.00 0.00 C ATOM 972 O PHE A 67 -1.262 -18.764 2.533 1.00 0.00 O ATOM 973 CB PHE A 67 -1.606 -15.290 2.564 1.00 0.00 C ATOM 974 CG PHE A 67 -2.576 -14.167 2.796 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.576 -13.897 1.876 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.488 -13.382 3.934 1.00 0.00 C ATOM 977 CE1 PHE A 67 -4.469 -12.864 2.087 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.379 -12.348 4.150 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.371 -12.089 3.226 1.00 0.00 C ATOM 0 H PHE A 67 -2.766 -17.123 4.170 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.857 -16.475 1.279 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.009 -15.435 3.464 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.918 -15.007 1.767 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.658 -14.501 0.984 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.714 -13.580 4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.243 -12.663 1.362 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.299 -11.743 5.041 1.00 0.00 H new ATOM 0 HZ PHE A 67 -5.069 -11.282 3.393 1.00 0.00 H new ATOM 989 N THR A 68 -0.274 -17.376 1.063 1.00 0.00 N ATOM 990 CA THR A 68 0.794 -18.310 0.731 1.00 0.00 C ATOM 991 C THR A 68 2.157 -17.629 0.784 1.00 0.00 C ATOM 992 O THR A 68 2.262 -16.418 0.590 1.00 0.00 O ATOM 993 CB THR A 68 0.592 -18.921 -0.669 1.00 0.00 C ATOM 994 OG1 THR A 68 1.774 -19.620 -1.074 1.00 0.00 O ATOM 995 CG2 THR A 68 0.261 -17.841 -1.688 1.00 0.00 C ATOM 0 H THR A 68 -0.225 -16.486 0.567 1.00 0.00 H new ATOM 0 HA THR A 68 0.759 -19.106 1.475 1.00 0.00 H new ATOM 0 HB THR A 68 -0.243 -19.620 -0.619 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.637 -20.007 -1.964 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.123 -18.296 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.656 -17.331 -1.392 1.00 0.00 H new ATOM 0 HG23 THR A 68 1.078 -17.121 -1.734 1.00 0.00 H new ATOM 1003 N GLN A 69 3.196 -18.415 1.046 1.00 0.00 N ATOM 1004 CA GLN A 69 4.552 -17.885 1.124 1.00 0.00 C ATOM 1005 C GLN A 69 4.780 -16.813 0.064 1.00 0.00 C ATOM 1006 O GLN A 69 5.197 -15.698 0.376 1.00 0.00 O ATOM 1007 CB GLN A 69 5.573 -19.012 0.954 1.00 0.00 C ATOM 1008 CG GLN A 69 6.962 -18.656 1.457 1.00 0.00 C ATOM 1009 CD GLN A 69 7.820 -18.007 0.389 1.00 0.00 C ATOM 1010 OE1 GLN A 69 8.345 -18.682 -0.498 1.00 0.00 O ATOM 1011 NE2 GLN A 69 7.967 -16.689 0.467 1.00 0.00 N ATOM 0 H GLN A 69 3.125 -19.420 1.208 1.00 0.00 H new ATOM 0 HA GLN A 69 4.681 -17.431 2.107 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.219 -19.895 1.486 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.635 -19.279 -0.101 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.874 -17.980 2.308 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.457 -19.558 1.817 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.514 -16.169 1.219 1.00 0.00 H new ATOM 0 HE22 GLN A 69 8.533 -16.197 -0.225 1.00 0.00 H new ATOM 1020 N GLN A 70 4.504 -17.159 -1.189 1.00 0.00 N ATOM 1021 CA GLN A 70 4.680 -16.226 -2.295 1.00 0.00 C ATOM 1022 C GLN A 70 4.076 -14.866 -1.961 1.00 0.00 C ATOM 1023 O GLN A 70 4.779 -13.856 -1.929 1.00 0.00 O ATOM 1024 CB GLN A 70 4.040 -16.783 -3.568 1.00 0.00 C ATOM 1025 CG GLN A 70 4.596 -18.133 -3.988 1.00 0.00 C ATOM 1026 CD GLN A 70 4.118 -18.560 -5.362 1.00 0.00 C ATOM 1027 OE1 GLN A 70 2.996 -19.042 -5.519 1.00 0.00 O ATOM 1028 NE2 GLN A 70 4.969 -18.384 -6.366 1.00 0.00 N ATOM 0 H GLN A 70 4.158 -18.078 -1.463 1.00 0.00 H new ATOM 0 HA GLN A 70 5.749 -16.097 -2.462 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.965 -16.874 -3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.186 -16.071 -4.380 1.00 0.00 H new ATOM 0 HG2 GLN A 70 5.685 -18.090 -3.984 1.00 0.00 H new ATOM 0 HG3 GLN A 70 4.304 -18.886 -3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.889 -17.981 -6.190 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.703 -18.652 -7.313 1.00 0.00 H new ATOM 1037 N GLU A 71 2.770 -14.848 -1.713 1.00 0.00 N ATOM 1038 CA GLU A 71 2.073 -13.611 -1.383 1.00 0.00 C ATOM 1039 C GLU A 71 2.744 -12.905 -0.209 1.00 0.00 C ATOM 1040 O GLU A 71 3.153 -11.748 -0.319 1.00 0.00 O ATOM 1041 CB GLU A 71 0.608 -13.900 -1.049 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.199 -14.406 -2.233 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.642 -14.701 -1.873 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -1.887 -15.167 -0.740 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.526 -14.465 -2.722 1.00 0.00 O ATOM 0 H GLU A 71 2.174 -15.676 -1.734 1.00 0.00 H new ATOM 0 HA GLU A 71 2.118 -12.955 -2.252 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.566 -14.639 -0.249 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.145 -12.990 -0.667 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.172 -13.663 -3.030 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.266 -15.311 -2.625 1.00 0.00 H new ATOM 1052 N ILE A 72 2.854 -13.608 0.913 1.00 0.00 N ATOM 1053 CA ILE A 72 3.475 -13.049 2.107 1.00 0.00 C ATOM 1054 C ILE A 72 4.658 -12.157 1.744 1.00 0.00 C ATOM 1055 O ILE A 72 4.770 -11.031 2.228 1.00 0.00 O ATOM 1056 CB ILE A 72 3.956 -14.157 3.063 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.770 -14.996 3.542 1.00 0.00 C ATOM 1058 CG2 ILE A 72 4.696 -13.551 4.246 1.00 0.00 C ATOM 1059 CD1 ILE A 72 2.093 -14.437 4.774 1.00 0.00 C ATOM 0 H ILE A 72 2.521 -14.566 1.020 1.00 0.00 H new ATOM 0 HA ILE A 72 2.713 -12.453 2.610 1.00 0.00 H new ATOM 0 HB ILE A 72 4.644 -14.809 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.039 -15.069 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.114 -16.009 3.754 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.030 -14.346 4.913 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.560 -12.992 3.887 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.029 -12.880 4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.262 -15.083 5.057 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.810 -14.389 5.593 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.719 -13.436 4.561 1.00 0.00 H new ATOM 1071 N GLU A 73 5.537 -12.669 0.888 1.00 0.00 N ATOM 1072 CA GLU A 73 6.712 -11.918 0.460 1.00 0.00 C ATOM 1073 C GLU A 73 6.306 -10.610 -0.212 1.00 0.00 C ATOM 1074 O GLU A 73 6.849 -9.547 0.092 1.00 0.00 O ATOM 1075 CB GLU A 73 7.559 -12.756 -0.500 1.00 0.00 C ATOM 1076 CG GLU A 73 8.611 -13.602 0.197 1.00 0.00 C ATOM 1077 CD GLU A 73 9.646 -14.154 -0.764 1.00 0.00 C ATOM 1078 OE1 GLU A 73 9.250 -14.797 -1.758 1.00 0.00 O ATOM 1079 OE2 GLU A 73 10.853 -13.943 -0.521 1.00 0.00 O ATOM 0 H GLU A 73 5.458 -13.599 0.478 1.00 0.00 H new ATOM 0 HA GLU A 73 7.304 -11.684 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.902 -13.409 -1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.051 -12.092 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.110 -13.001 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.123 -14.428 0.714 1.00 0.00 H new ATOM 1086 N PHE A 74 5.347 -10.695 -1.128 1.00 0.00 N ATOM 1087 CA PHE A 74 4.868 -9.519 -1.846 1.00 0.00 C ATOM 1088 C PHE A 74 4.365 -8.456 -0.873 1.00 0.00 C ATOM 1089 O PHE A 74 4.364 -7.264 -1.185 1.00 0.00 O ATOM 1090 CB PHE A 74 3.750 -9.908 -2.816 1.00 0.00 C ATOM 1091 CG PHE A 74 2.957 -8.735 -3.317 1.00 0.00 C ATOM 1092 CD1 PHE A 74 2.097 -8.052 -2.472 1.00 0.00 C ATOM 1093 CD2 PHE A 74 3.071 -8.315 -4.632 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.365 -6.973 -2.930 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.342 -7.236 -5.096 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.488 -6.564 -4.244 1.00 0.00 C ATOM 0 H PHE A 74 4.886 -11.566 -1.391 1.00 0.00 H new ATOM 0 HA PHE A 74 5.702 -9.104 -2.411 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.184 -10.433 -3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.076 -10.607 -2.320 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.998 -8.367 -1.444 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.737 -8.837 -5.303 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.697 -6.450 -2.261 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.440 -6.919 -6.124 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.917 -5.721 -4.604 1.00 0.00 H new ATOM 1106 N LEU A 75 3.939 -8.895 0.306 1.00 0.00 N ATOM 1107 CA LEU A 75 3.433 -7.982 1.325 1.00 0.00 C ATOM 1108 C LEU A 75 4.562 -7.492 2.226 1.00 0.00 C ATOM 1109 O LEU A 75 4.619 -6.315 2.580 1.00 0.00 O ATOM 1110 CB LEU A 75 2.357 -8.671 2.166 1.00 0.00 C ATOM 1111 CG LEU A 75 0.971 -8.777 1.528 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.157 -9.873 2.197 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.243 -7.443 1.610 1.00 0.00 C ATOM 0 H LEU A 75 3.934 -9.877 0.580 1.00 0.00 H new ATOM 0 HA LEU A 75 2.995 -7.120 0.821 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.702 -9.677 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.261 -8.132 3.109 1.00 0.00 H new ATOM 0 HG LEU A 75 1.095 -9.037 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.826 -9.933 1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.671 -10.828 2.085 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.041 -9.645 3.257 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.741 -7.537 1.151 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.130 -7.154 2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.818 -6.682 1.083 1.00 0.00 H new ATOM 1125 N GLN A 76 5.459 -8.403 2.590 1.00 0.00 N ATOM 1126 CA GLN A 76 6.588 -8.062 3.448 1.00 0.00 C ATOM 1127 C GLN A 76 7.534 -7.096 2.744 1.00 0.00 C ATOM 1128 O GLN A 76 8.068 -6.173 3.360 1.00 0.00 O ATOM 1129 CB GLN A 76 7.344 -9.327 3.859 1.00 0.00 C ATOM 1130 CG GLN A 76 6.531 -10.263 4.739 1.00 0.00 C ATOM 1131 CD GLN A 76 7.139 -11.648 4.836 1.00 0.00 C ATOM 1132 OE1 GLN A 76 7.621 -12.198 3.845 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.120 -12.221 6.034 1.00 0.00 N ATOM 0 H GLN A 76 5.426 -9.382 2.305 1.00 0.00 H new ATOM 0 HA GLN A 76 6.199 -7.574 4.341 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.654 -9.863 2.962 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.253 -9.041 4.389 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.449 -9.836 5.738 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.519 -10.342 4.342 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.710 -11.729 6.828 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.515 -13.153 6.160 1.00 0.00 H new ATOM 1142 N LYS A 77 7.739 -7.313 1.449 1.00 0.00 N ATOM 1143 CA LYS A 77 8.621 -6.462 0.660 1.00 0.00 C ATOM 1144 C LYS A 77 8.075 -5.040 0.579 1.00 0.00 C ATOM 1145 O LYS A 77 8.825 -4.088 0.359 1.00 0.00 O ATOM 1146 CB LYS A 77 8.790 -7.035 -0.749 1.00 0.00 C ATOM 1147 CG LYS A 77 7.719 -6.578 -1.725 1.00 0.00 C ATOM 1148 CD LYS A 77 7.867 -7.259 -3.075 1.00 0.00 C ATOM 1149 CE LYS A 77 8.988 -6.637 -3.893 1.00 0.00 C ATOM 1150 NZ LYS A 77 8.503 -5.503 -4.727 1.00 0.00 N ATOM 0 H LYS A 77 7.305 -8.072 0.923 1.00 0.00 H new ATOM 0 HA LYS A 77 9.593 -6.432 1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.768 -6.746 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.778 -8.124 -0.693 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.734 -6.795 -1.313 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.780 -5.497 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.068 -8.320 -2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.929 -7.185 -3.626 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.774 -6.286 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.433 -7.396 -4.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.297 -5.106 -5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.771 -5.843 -5.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.102 -4.767 -4.112 1.00 0.00 H new ATOM 1164 N HIS A 78 6.765 -4.902 0.760 1.00 0.00 N ATOM 1165 CA HIS A 78 6.120 -3.595 0.710 1.00 0.00 C ATOM 1166 C HIS A 78 5.734 -3.126 2.109 1.00 0.00 C ATOM 1167 O HIS A 78 6.384 -2.253 2.683 1.00 0.00 O ATOM 1168 CB HIS A 78 4.879 -3.649 -0.182 1.00 0.00 C ATOM 1169 CG HIS A 78 5.195 -3.690 -1.646 1.00 0.00 C ATOM 1170 ND1 HIS A 78 4.993 -4.808 -2.429 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.701 -2.743 -2.469 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.362 -4.545 -3.670 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.795 -3.299 -3.721 1.00 0.00 N ATOM 0 H HIS A 78 6.130 -5.679 0.943 1.00 0.00 H new ATOM 0 HA HIS A 78 6.830 -2.883 0.290 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.292 -4.529 0.079 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.256 -2.778 0.023 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.618 -5.698 -2.101 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.979 -1.737 -2.193 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.317 -5.233 -4.502 1.00 0.00 H new ATOM 1181 N GLY A 79 4.671 -3.711 2.653 1.00 0.00 N ATOM 1182 CA GLY A 79 4.217 -3.339 3.980 1.00 0.00 C ATOM 1183 C GLY A 79 3.947 -1.852 4.105 1.00 0.00 C ATOM 1184 O GLY A 79 4.387 -1.063 3.270 1.00 0.00 O ATOM 0 H GLY A 79 4.116 -4.436 2.198 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.308 -3.891 4.218 1.00 0.00 H new ATOM 0 HA3 GLY A 79 4.969 -3.632 4.713 1.00 0.00 H new ATOM 1188 N ASN A 80 3.221 -1.470 5.150 1.00 0.00 N ATOM 1189 CA ASN A 80 2.891 -0.068 5.380 1.00 0.00 C ATOM 1190 C ASN A 80 4.150 0.747 5.662 1.00 0.00 C ATOM 1191 O ASN A 80 4.124 1.977 5.632 1.00 0.00 O ATOM 1192 CB ASN A 80 1.913 0.063 6.549 1.00 0.00 C ATOM 1193 CG ASN A 80 0.694 -0.825 6.385 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.624 -1.638 5.463 1.00 0.00 O ATOM 1195 ND2 ASN A 80 -0.274 -0.672 7.281 1.00 0.00 N ATOM 0 H ASN A 80 2.850 -2.111 5.851 1.00 0.00 H new ATOM 0 HA ASN A 80 2.421 0.322 4.477 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.424 -0.193 7.477 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.594 1.101 6.637 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -1.118 -1.241 7.222 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.173 0.014 8.029 1.00 0.00 H new ATOM 1202 N GLU A 81 5.250 0.052 5.936 1.00 0.00 N ATOM 1203 CA GLU A 81 6.518 0.713 6.223 1.00 0.00 C ATOM 1204 C GLU A 81 6.854 1.738 5.145 1.00 0.00 C ATOM 1205 O GLU A 81 6.947 2.935 5.418 1.00 0.00 O ATOM 1206 CB GLU A 81 7.643 -0.319 6.330 1.00 0.00 C ATOM 1207 CG GLU A 81 8.931 0.242 6.908 1.00 0.00 C ATOM 1208 CD GLU A 81 9.940 -0.839 7.241 1.00 0.00 C ATOM 1209 OE1 GLU A 81 10.215 -1.684 6.363 1.00 0.00 O ATOM 1210 OE2 GLU A 81 10.455 -0.840 8.378 1.00 0.00 O ATOM 0 H GLU A 81 5.289 -0.967 5.965 1.00 0.00 H new ATOM 0 HA GLU A 81 6.420 1.233 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.306 -1.148 6.953 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.846 -0.726 5.340 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.372 0.938 6.195 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.703 0.811 7.809 1.00 0.00 H new ATOM 1217 N VAL A 82 7.035 1.261 3.918 1.00 0.00 N ATOM 1218 CA VAL A 82 7.361 2.135 2.797 1.00 0.00 C ATOM 1219 C VAL A 82 6.102 2.566 2.054 1.00 0.00 C ATOM 1220 O VAL A 82 5.998 3.706 1.598 1.00 0.00 O ATOM 1221 CB VAL A 82 8.318 1.445 1.807 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.642 1.121 2.482 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.678 0.188 1.237 1.00 0.00 C ATOM 0 H VAL A 82 6.961 0.273 3.675 1.00 0.00 H new ATOM 0 HA VAL A 82 7.853 3.014 3.213 1.00 0.00 H new ATOM 0 HB VAL A 82 8.517 2.130 0.983 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.305 0.634 1.767 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.104 2.042 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.466 0.455 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.368 -0.287 0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.449 -0.503 2.048 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.759 0.453 0.715 1.00 0.00 H new ATOM 1233 N CYS A 83 5.148 1.650 1.935 1.00 0.00 N ATOM 1234 CA CYS A 83 3.895 1.935 1.245 1.00 0.00 C ATOM 1235 C CYS A 83 3.350 3.301 1.651 1.00 0.00 C ATOM 1236 O CYS A 83 3.321 4.234 0.848 1.00 0.00 O ATOM 1237 CB CYS A 83 2.862 0.850 1.551 1.00 0.00 C ATOM 1238 SG CYS A 83 2.948 -0.582 0.450 1.00 0.00 S ATOM 0 H CYS A 83 5.218 0.703 2.307 1.00 0.00 H new ATOM 0 HA CYS A 83 4.093 1.946 0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 83 2.998 0.513 2.579 1.00 0.00 H new ATOM 0 HB3 CYS A 83 1.864 1.285 1.487 1.00 0.00 H new ATOM 0 HG CYS A 83 2.365 -1.598 1.013 1.00 0.00 H new ATOM 1244 N LYS A 84 2.918 3.412 2.902 1.00 0.00 N ATOM 1245 CA LYS A 84 2.373 4.663 3.416 1.00 0.00 C ATOM 1246 C LYS A 84 3.168 5.857 2.896 1.00 0.00 C ATOM 1247 O LYS A 84 2.653 6.668 2.127 1.00 0.00 O ATOM 1248 CB LYS A 84 2.384 4.657 4.946 1.00 0.00 C ATOM 1249 CG LYS A 84 1.514 5.738 5.565 1.00 0.00 C ATOM 1250 CD LYS A 84 0.925 5.289 6.891 1.00 0.00 C ATOM 1251 CE LYS A 84 1.999 4.754 7.826 1.00 0.00 C ATOM 1252 NZ LYS A 84 1.415 3.977 8.954 1.00 0.00 N ATOM 0 H LYS A 84 2.935 2.650 3.580 1.00 0.00 H new ATOM 0 HA LYS A 84 1.345 4.753 3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.045 3.683 5.300 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.409 4.784 5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.106 6.641 5.716 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.709 5.996 4.877 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.413 6.126 7.365 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.177 4.516 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.686 4.120 7.265 1.00 0.00 H new ATOM 0 HE3 LYS A 84 2.583 5.585 8.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.179 3.630 9.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.779 4.589 9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.879 3.169 8.578 1.00 0.00 H new ATOM 1266 N GLN A 85 4.423 5.956 3.320 1.00 0.00 N ATOM 1267 CA GLN A 85 5.288 7.050 2.895 1.00 0.00 C ATOM 1268 C GLN A 85 5.163 7.292 1.395 1.00 0.00 C ATOM 1269 O GLN A 85 4.954 8.423 0.954 1.00 0.00 O ATOM 1270 CB GLN A 85 6.744 6.747 3.256 1.00 0.00 C ATOM 1271 CG GLN A 85 7.112 7.136 4.679 1.00 0.00 C ATOM 1272 CD GLN A 85 8.587 6.946 4.972 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.422 7.754 4.564 1.00 0.00 O ATOM 1274 NE2 GLN A 85 8.916 5.875 5.684 1.00 0.00 N ATOM 0 H GLN A 85 4.864 5.292 3.957 1.00 0.00 H new ATOM 0 HA GLN A 85 4.972 7.953 3.417 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.929 5.681 3.120 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.399 7.275 2.563 1.00 0.00 H new ATOM 0 HG2 GLN A 85 6.843 8.179 4.848 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.527 6.539 5.378 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.191 5.232 6.002 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.894 5.696 5.913 1.00 0.00 H new ATOM 1283 N ILE A 86 5.293 6.224 0.616 1.00 0.00 N ATOM 1284 CA ILE A 86 5.194 6.321 -0.835 1.00 0.00 C ATOM 1285 C ILE A 86 3.914 7.038 -1.252 1.00 0.00 C ATOM 1286 O ILE A 86 3.865 7.682 -2.300 1.00 0.00 O ATOM 1287 CB ILE A 86 5.228 4.930 -1.496 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.609 4.293 -1.324 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.867 5.035 -2.970 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.620 2.801 -1.568 1.00 0.00 C ATOM 0 H ILE A 86 5.467 5.282 0.965 1.00 0.00 H new ATOM 0 HA ILE A 86 6.056 6.896 -1.172 1.00 0.00 H new ATOM 0 HB ILE A 86 4.491 4.293 -1.006 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.309 4.770 -2.010 1.00 0.00 H new ATOM 0 HG13 ILE A 86 6.968 4.491 -0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.895 4.044 -3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.865 5.451 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.582 5.685 -3.474 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.631 2.417 -1.429 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.946 2.312 -0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.292 2.597 -2.587 1.00 0.00 H new ATOM 1302 N TRP A 87 2.882 6.923 -0.425 1.00 0.00 N ATOM 1303 CA TRP A 87 1.601 7.562 -0.707 1.00 0.00 C ATOM 1304 C TRP A 87 1.511 8.923 -0.027 1.00 0.00 C ATOM 1305 O TRP A 87 0.671 9.751 -0.381 1.00 0.00 O ATOM 1306 CB TRP A 87 0.449 6.669 -0.242 1.00 0.00 C ATOM 1307 CG TRP A 87 0.343 5.388 -1.013 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.751 4.150 -0.606 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.205 5.220 -2.325 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.489 3.223 -1.585 1.00 0.00 N ATOM 1311 CE2 TRP A 87 -0.098 3.854 -2.650 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.778 6.091 -3.256 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.541 3.341 -3.866 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -1.217 5.580 -4.463 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -1.098 4.216 -4.759 1.00 0.00 C ATOM 0 H TRP A 87 2.906 6.393 0.446 1.00 0.00 H new ATOM 0 HA TRP A 87 1.526 7.709 -1.784 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.581 6.439 0.815 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.488 7.219 -0.334 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.212 3.932 0.346 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.698 2.226 -1.528 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.876 7.144 -3.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.448 2.290 -4.097 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.660 6.244 -5.191 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.453 3.848 -5.710 1.00 0.00 H new ATOM 1326 N LEU A 88 2.382 9.150 0.951 1.00 0.00 N ATOM 1327 CA LEU A 88 2.400 10.413 1.681 1.00 0.00 C ATOM 1328 C LEU A 88 3.571 11.283 1.234 1.00 0.00 C ATOM 1329 O LEU A 88 3.930 12.251 1.904 1.00 0.00 O ATOM 1330 CB LEU A 88 2.489 10.154 3.186 1.00 0.00 C ATOM 1331 CG LEU A 88 1.544 9.086 3.739 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.375 9.251 5.242 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.195 9.153 3.039 1.00 0.00 C ATOM 0 H LEU A 88 3.084 8.476 1.256 1.00 0.00 H new ATOM 0 HA LEU A 88 1.473 10.943 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.512 9.864 3.425 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.292 11.090 3.708 1.00 0.00 H new ATOM 0 HG LEU A 88 1.982 8.106 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.700 8.483 5.619 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.345 9.153 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.960 10.236 5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.464 8.386 3.445 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.249 10.135 3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.331 8.986 1.971 1.00 0.00 H new ATOM 1345 N GLY A 89 4.161 10.933 0.095 1.00 0.00 N ATOM 1346 CA GLY A 89 5.283 11.693 -0.423 1.00 0.00 C ATOM 1347 C GLY A 89 5.196 13.166 -0.074 1.00 0.00 C ATOM 1348 O GLY A 89 6.188 13.776 0.326 1.00 0.00 O ATOM 0 H GLY A 89 3.882 10.137 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.211 11.283 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.324 11.581 -1.506 1.00 0.00 H new ATOM 1352 N LEU A 90 4.008 13.739 -0.228 1.00 0.00 N ATOM 1353 CA LEU A 90 3.796 15.151 0.072 1.00 0.00 C ATOM 1354 C LEU A 90 3.159 15.326 1.447 1.00 0.00 C ATOM 1355 O LEU A 90 3.557 16.197 2.221 1.00 0.00 O ATOM 1356 CB LEU A 90 2.910 15.792 -0.998 1.00 0.00 C ATOM 1357 CG LEU A 90 3.636 16.374 -2.211 1.00 0.00 C ATOM 1358 CD1 LEU A 90 2.639 16.946 -3.206 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.631 17.440 -1.776 1.00 0.00 C ATOM 0 H LEU A 90 3.177 13.248 -0.559 1.00 0.00 H new ATOM 0 HA LEU A 90 4.767 15.646 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.200 15.043 -1.350 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.329 16.588 -0.531 1.00 0.00 H new ATOM 0 HG LEU A 90 4.186 15.571 -2.701 1.00 0.00 H new ATOM 0 HD11 LEU A 90 3.174 17.356 -4.063 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.967 16.157 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.060 17.736 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.139 17.843 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.103 18.243 -1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.366 16.999 -1.102 1.00 0.00 H new ATOM 1371 N PHE A 91 2.170 14.490 1.746 1.00 0.00 N ATOM 1372 CA PHE A 91 1.480 14.551 3.029 1.00 0.00 C ATOM 1373 C PHE A 91 2.465 14.405 4.185 1.00 0.00 C ATOM 1374 O PHE A 91 2.808 13.292 4.585 1.00 0.00 O ATOM 1375 CB PHE A 91 0.414 13.456 3.111 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.576 13.664 4.221 1.00 0.00 C ATOM 1377 CD1 PHE A 91 -0.161 13.679 5.543 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.921 13.845 3.943 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -1.069 13.870 6.567 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.834 14.037 4.963 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.408 14.050 6.276 1.00 0.00 C ATOM 0 H PHE A 91 1.829 13.763 1.117 1.00 0.00 H new ATOM 0 HA PHE A 91 0.998 15.525 3.107 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.121 13.409 2.162 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.904 12.492 3.248 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.884 13.540 5.776 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.260 13.836 2.918 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.733 13.879 7.593 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.880 14.177 4.733 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.120 14.201 7.074 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.002 12.790 8.953 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.461 12.703 9.066 1.00 0.00 C ATOM 1492 C PRO A 99 -9.901 11.829 10.235 1.00 0.00 C ATOM 1493 O PRO A 99 -9.086 11.435 11.069 1.00 0.00 O ATOM 1494 CB PRO A 99 -9.883 12.071 7.737 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.689 11.304 7.286 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.493 12.078 7.768 1.00 0.00 C ATOM 0 HA PRO A 99 -9.914 13.677 9.253 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.747 11.419 7.865 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.163 12.832 7.008 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.694 10.296 7.700 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -8.677 11.203 6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.663 11.418 8.021 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.130 12.770 7.009 1.00 0.00 H new ATOM 1504 N ASP A 100 -11.194 11.530 10.290 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.743 10.700 11.357 1.00 0.00 C ATOM 1506 C ASP A 100 -11.682 9.223 10.982 1.00 0.00 C ATOM 1507 O ASP A 100 -11.359 8.872 9.847 1.00 0.00 O ATOM 1508 CB ASP A 100 -13.187 11.104 11.655 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.616 10.727 13.059 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -13.172 11.397 14.015 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -14.396 9.763 13.202 1.00 0.00 O ATOM 0 H ASP A 100 -11.882 11.850 9.608 1.00 0.00 H new ATOM 0 HA ASP A 100 -11.139 10.855 12.251 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -13.295 12.180 11.522 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -13.851 10.626 10.935 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.993 8.360 11.944 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.972 6.920 11.715 1.00 0.00 C ATOM 1518 C PHE A 101 -13.319 6.294 12.065 1.00 0.00 C ATOM 1519 O PHE A 101 -13.662 5.219 11.573 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.863 6.267 12.544 1.00 0.00 C ATOM 1521 CG PHE A 101 -9.571 7.033 12.525 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -9.026 7.469 11.328 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -8.901 7.316 13.704 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.837 8.174 11.307 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -7.713 8.021 13.690 1.00 0.00 C ATOM 1526 CZ PHE A 101 -7.179 8.450 12.490 1.00 0.00 C ATOM 0 H PHE A 101 -12.262 8.633 12.889 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.775 6.748 10.657 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -11.202 6.167 13.575 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.685 5.260 12.168 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.536 7.256 10.400 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.312 6.982 14.645 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.423 8.508 10.367 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -7.202 8.237 14.617 1.00 0.00 H new ATOM 0 HZ PHE A 101 -6.249 9.000 12.477 1.00 0.00 H new ATOM 1536 N ARG A 102 -14.077 6.974 12.918 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.386 6.485 13.335 1.00 0.00 C ATOM 1538 C ARG A 102 -16.408 6.642 12.214 1.00 0.00 C ATOM 1539 O ARG A 102 -17.488 6.053 12.258 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.861 7.235 14.581 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.826 7.284 15.694 1.00 0.00 C ATOM 1542 CD ARG A 102 -14.647 5.923 16.348 1.00 0.00 C ATOM 1543 NE ARG A 102 -13.704 5.083 15.615 1.00 0.00 N ATOM 1544 CZ ARG A 102 -13.198 3.953 16.096 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -13.544 3.530 17.304 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -12.345 3.244 15.369 1.00 0.00 N ATOM 0 H ARG A 102 -13.808 7.865 13.334 1.00 0.00 H new ATOM 0 HA ARG A 102 -15.291 5.425 13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -16.130 8.254 14.301 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.766 6.759 14.958 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -13.872 7.623 15.291 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -15.132 8.012 16.445 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.295 6.056 17.371 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.612 5.419 16.406 1.00 0.00 H new ATOM 0 HE ARG A 102 -13.418 5.380 14.682 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.200 4.073 17.866 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.154 2.662 17.671 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -12.077 3.566 14.439 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -11.957 2.376 15.740 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.060 7.440 11.210 1.00 0.00 N ATOM 1561 CA ASP A 103 -16.946 7.674 10.076 1.00 0.00 C ATOM 1562 C ASP A 103 -16.295 7.218 8.774 1.00 0.00 C ATOM 1563 O ASP A 103 -15.360 7.839 8.269 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.313 9.156 9.986 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.516 9.508 10.839 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -18.460 9.281 12.066 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -19.514 10.009 10.280 1.00 0.00 O ATOM 0 H ASP A 103 -15.170 7.936 11.159 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.854 7.091 10.230 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.460 9.758 10.300 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.520 9.414 8.947 1.00 0.00 H new ATOM 1572 N PRO A 104 -16.799 6.107 8.218 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.281 5.543 6.968 1.00 0.00 C ATOM 1574 C PRO A 104 -16.608 6.414 5.759 1.00 0.00 C ATOM 1575 O PRO A 104 -16.134 6.158 4.653 1.00 0.00 O ATOM 1576 CB PRO A 104 -16.997 4.194 6.864 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.253 4.370 7.646 1.00 0.00 C ATOM 1578 CD PRO A 104 -17.914 5.316 8.765 1.00 0.00 C ATOM 0 HA PRO A 104 -15.194 5.465 6.976 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.210 3.938 5.826 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -16.386 3.389 7.272 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.049 4.774 7.021 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -18.607 3.416 8.035 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -18.763 5.947 9.029 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -17.622 4.781 9.669 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.419 7.444 5.980 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.808 8.352 4.908 1.00 0.00 C ATOM 1588 C GLN A 105 -16.698 9.355 4.614 1.00 0.00 C ATOM 1589 O GLN A 105 -16.352 9.594 3.457 1.00 0.00 O ATOM 1590 CB GLN A 105 -19.095 9.091 5.279 1.00 0.00 C ATOM 1591 CG GLN A 105 -20.360 8.354 4.870 1.00 0.00 C ATOM 1592 CD GLN A 105 -21.599 9.220 4.973 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -21.576 10.401 4.624 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -22.692 8.637 5.453 1.00 0.00 N ATOM 0 H GLN A 105 -17.819 7.670 6.891 1.00 0.00 H new ATOM 0 HA GLN A 105 -17.984 7.760 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.112 9.255 6.357 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -19.089 10.074 4.807 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -20.254 7.999 3.845 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -20.483 7.474 5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -22.667 7.656 5.730 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -23.556 9.171 5.544 1.00 0.00 H new ATOM 1603 N LYS A 106 -16.143 9.941 5.670 1.00 0.00 N ATOM 1604 CA LYS A 106 -15.070 10.919 5.527 1.00 0.00 C ATOM 1605 C LYS A 106 -13.787 10.252 5.044 1.00 0.00 C ATOM 1606 O LYS A 106 -13.162 10.706 4.086 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.819 11.629 6.859 1.00 0.00 C ATOM 1608 CG LYS A 106 -15.859 12.684 7.192 1.00 0.00 C ATOM 1609 CD LYS A 106 -17.150 12.057 7.691 1.00 0.00 C ATOM 1610 CE LYS A 106 -17.933 13.020 8.570 1.00 0.00 C ATOM 1611 NZ LYS A 106 -18.825 13.903 7.768 1.00 0.00 N ATOM 0 H LYS A 106 -16.419 9.756 6.634 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.378 11.654 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.797 10.888 7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.835 12.097 6.832 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -15.464 13.359 7.952 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -16.064 13.286 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -17.763 11.758 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -16.922 11.152 8.254 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -18.530 12.455 9.286 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -17.239 13.632 9.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -19.341 14.544 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -18.253 14.461 7.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -19.504 13.321 7.238 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.399 9.170 5.713 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.191 8.439 5.350 1.00 0.00 C ATOM 1627 C VAL A 107 -12.132 8.187 3.847 1.00 0.00 C ATOM 1628 O VAL A 107 -11.081 8.333 3.223 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.108 7.090 6.089 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -10.923 6.279 5.589 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.017 7.311 7.591 1.00 0.00 C ATOM 0 H VAL A 107 -13.904 8.781 6.509 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.345 9.059 5.645 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.017 6.525 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.881 5.330 6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.036 6.091 4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.002 6.835 5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.959 6.348 8.098 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.126 7.895 7.819 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.901 7.849 7.934 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.268 7.807 3.271 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.347 7.536 1.841 1.00 0.00 C ATOM 1643 C LYS A 108 -12.821 8.718 1.033 1.00 0.00 C ATOM 1644 O LYS A 108 -11.784 8.619 0.378 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.792 7.233 1.438 1.00 0.00 C ATOM 1646 CG LYS A 108 -14.961 6.928 -0.040 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.303 6.275 -0.326 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.704 6.441 -1.783 1.00 0.00 C ATOM 1649 NZ LYS A 108 -17.911 5.637 -2.121 1.00 0.00 N ATOM 0 H LYS A 108 -14.147 7.680 3.773 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.726 6.666 1.627 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.152 6.384 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.419 8.086 1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.874 7.850 -0.615 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.158 6.270 -0.371 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.253 5.214 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.067 6.715 0.315 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -16.900 7.493 -1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -15.876 6.140 -2.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -18.152 5.777 -3.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -17.716 4.630 -1.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -18.709 5.942 -1.527 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.542 9.833 1.086 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.145 11.033 0.359 1.00 0.00 C ATOM 1665 C GLU A 109 -11.648 11.289 0.506 1.00 0.00 C ATOM 1666 O GLU A 109 -10.925 11.395 -0.485 1.00 0.00 O ATOM 1667 CB GLU A 109 -13.932 12.245 0.862 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.433 12.124 0.658 1.00 0.00 C ATOM 1669 CD GLU A 109 -15.860 12.480 -0.753 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.588 11.684 -1.675 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -16.468 13.556 -0.934 1.00 0.00 O ATOM 0 H GLU A 109 -14.403 9.931 1.624 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.367 10.877 -0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.728 12.385 1.924 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.575 13.138 0.349 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.745 11.104 0.882 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.946 12.777 1.365 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.190 11.386 1.749 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.779 11.631 2.027 1.00 0.00 C ATOM 1680 C PHE A 110 -8.901 10.585 1.346 1.00 0.00 C ATOM 1681 O PHE A 110 -7.865 10.910 0.765 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.526 11.621 3.536 1.00 0.00 C ATOM 1683 CG PHE A 110 -8.076 11.475 3.899 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.400 10.293 3.642 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.389 12.519 4.499 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -6.065 10.155 3.975 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -6.055 12.386 4.834 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.392 11.203 4.573 1.00 0.00 C ATOM 0 H PHE A 110 -11.775 11.299 2.580 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.521 12.612 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.909 12.546 3.967 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -10.089 10.803 3.985 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.922 9.470 3.176 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.902 13.446 4.707 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.549 9.229 3.768 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.531 13.207 5.300 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.350 11.097 4.836 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.323 9.327 1.423 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.576 8.232 0.814 1.00 0.00 C ATOM 1700 C LEU A 111 -8.515 8.390 -0.702 1.00 0.00 C ATOM 1701 O LEU A 111 -7.544 7.982 -1.339 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.217 6.890 1.174 1.00 0.00 C ATOM 1703 CG LEU A 111 -8.719 6.232 2.461 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.550 5.001 2.787 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.246 5.867 2.338 1.00 0.00 C ATOM 0 H LEU A 111 -10.178 9.041 1.901 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.558 8.258 1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.294 7.035 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.052 6.198 0.348 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.829 6.946 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.181 4.546 3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.593 5.290 2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.473 4.283 1.970 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.908 5.400 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.112 5.171 1.510 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.662 6.769 2.153 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.558 8.985 -1.272 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.621 9.198 -2.713 1.00 0.00 C ATOM 1719 C GLN A 112 -8.544 10.178 -3.166 1.00 0.00 C ATOM 1720 O GLN A 112 -7.947 10.008 -4.229 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.003 9.720 -3.112 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.120 8.713 -2.893 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.470 9.231 -3.350 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.746 10.428 -3.276 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.320 8.328 -3.826 1.00 0.00 N ATOM 0 H GLN A 112 -10.370 9.328 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.445 8.241 -3.205 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.221 10.622 -2.540 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.984 10.006 -4.164 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.886 7.794 -3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.172 8.458 -1.834 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.049 7.346 -3.869 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.244 8.617 -4.148 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.302 11.202 -2.354 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.297 12.209 -2.674 1.00 0.00 C ATOM 1736 C GLU A 113 -5.899 11.596 -2.691 1.00 0.00 C ATOM 1737 O GLU A 113 -4.955 12.190 -3.212 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.351 13.355 -1.662 1.00 0.00 C ATOM 1739 CG GLU A 113 -8.736 13.957 -1.498 1.00 0.00 C ATOM 1740 CD GLU A 113 -8.953 14.556 -0.122 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -7.974 15.064 0.464 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.100 14.517 0.369 1.00 0.00 O ATOM 0 H GLU A 113 -8.788 11.356 -1.470 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.515 12.601 -3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.005 12.991 -0.695 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.659 14.137 -1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -8.884 14.729 -2.253 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.486 13.187 -1.677 1.00 0.00 H new ATOM 1749 N LYS A 114 -5.775 10.404 -2.117 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.494 9.709 -2.065 1.00 0.00 C ATOM 1751 C LYS A 114 -4.441 8.590 -3.100 1.00 0.00 C ATOM 1752 O LYS A 114 -3.363 8.183 -3.534 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.258 9.136 -0.666 1.00 0.00 C ATOM 1754 CG LYS A 114 -2.986 8.313 -0.553 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.025 7.390 0.653 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.441 8.060 1.887 1.00 0.00 C ATOM 1757 NZ LYS A 114 -3.482 8.776 2.675 1.00 0.00 N ATOM 0 H LYS A 114 -6.546 9.899 -1.681 1.00 0.00 H new ATOM 0 HA LYS A 114 -3.708 10.429 -2.293 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.215 9.956 0.051 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.109 8.514 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.851 7.723 -1.460 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.126 8.979 -0.475 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.055 7.093 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.467 6.479 0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.962 7.309 2.516 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -1.666 8.764 1.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.045 9.569 3.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -4.214 9.140 2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -3.914 8.120 3.356 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.611 8.097 -3.492 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.697 7.024 -4.476 1.00 0.00 C ATOM 1773 C TYR A 115 -6.220 7.548 -5.810 1.00 0.00 C ATOM 1774 O TYR A 115 -5.586 7.370 -6.850 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.605 5.905 -3.963 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.995 5.095 -2.842 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.678 4.657 -2.913 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.734 4.768 -1.712 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -4.116 3.915 -1.891 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.180 4.028 -0.685 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.872 3.604 -0.780 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.315 2.867 0.240 1.00 0.00 O ATOM 0 H TYR A 115 -6.512 8.423 -3.144 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.694 6.627 -4.631 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.543 6.340 -3.617 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.849 5.239 -4.790 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -4.084 4.900 -3.781 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.759 5.098 -1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -3.091 3.581 -1.962 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.768 3.783 0.187 1.00 0.00 H new ATOM 0 HH TYR A 115 -3.355 3.056 0.293 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.380 8.196 -5.770 1.00 0.00 N ATOM 1793 CA GLU A 116 -7.989 8.746 -6.975 1.00 0.00 C ATOM 1794 C GLU A 116 -7.204 9.955 -7.477 1.00 0.00 C ATOM 1795 O GLU A 116 -6.749 9.983 -8.621 1.00 0.00 O ATOM 1796 CB GLU A 116 -9.441 9.144 -6.704 1.00 0.00 C ATOM 1797 CG GLU A 116 -10.435 8.021 -6.948 1.00 0.00 C ATOM 1798 CD GLU A 116 -10.379 7.490 -8.368 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -10.807 8.217 -9.289 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -9.907 6.350 -8.557 1.00 0.00 O ATOM 0 H GLU A 116 -7.916 8.353 -4.917 1.00 0.00 H new ATOM 0 HA GLU A 116 -7.969 7.975 -7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.530 9.479 -5.671 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.701 9.992 -7.338 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.236 7.207 -6.251 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -11.442 8.381 -6.738 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.051 10.954 -6.614 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.322 12.166 -6.968 1.00 0.00 C ATOM 1809 C LYS A 117 -4.817 11.952 -6.842 1.00 0.00 C ATOM 1810 O LYS A 117 -4.027 12.621 -7.508 1.00 0.00 O ATOM 1811 CB LYS A 117 -6.759 13.328 -6.073 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.260 13.393 -5.850 1.00 0.00 C ATOM 1813 CD LYS A 117 -8.961 14.122 -6.983 1.00 0.00 C ATOM 1814 CE LYS A 117 -8.763 15.627 -6.885 1.00 0.00 C ATOM 1815 NZ LYS A 117 -9.528 16.215 -5.751 1.00 0.00 N ATOM 0 H LYS A 117 -7.422 10.948 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 117 -6.551 12.408 -8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.260 13.240 -5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -6.426 14.265 -6.519 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -8.660 12.383 -5.764 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -8.467 13.899 -4.907 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -8.578 13.765 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -10.026 13.892 -6.961 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.703 15.846 -6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -9.078 16.096 -7.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.577 17.248 -5.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -10.491 15.822 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -9.051 15.987 -4.855 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.427 11.014 -5.986 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.017 10.709 -5.775 1.00 0.00 C ATOM 1831 C LYS A 118 -2.200 11.988 -5.623 1.00 0.00 C ATOM 1832 O LYS A 118 -1.105 12.105 -6.173 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.473 9.879 -6.940 1.00 0.00 C ATOM 1834 CG LYS A 118 -2.602 8.380 -6.733 1.00 0.00 C ATOM 1835 CD LYS A 118 -2.380 7.617 -8.027 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.724 6.143 -7.871 1.00 0.00 C ATOM 1837 NZ LYS A 118 -2.601 5.406 -9.159 1.00 0.00 N ATOM 0 H LYS A 118 -5.068 10.451 -5.427 1.00 0.00 H new ATOM 0 HA LYS A 118 -2.930 10.132 -4.854 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.002 10.158 -7.852 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.423 10.127 -7.092 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -1.878 8.051 -5.987 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -3.592 8.150 -6.339 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -2.991 8.053 -8.817 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -1.340 7.718 -8.336 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -2.064 5.692 -7.130 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.741 6.046 -7.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -2.844 4.406 -9.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -3.249 5.820 -9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -1.624 5.477 -9.508 1.00 0.00 H new ATOM 1851 N ARG A 119 -2.740 12.943 -4.873 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.060 14.214 -4.649 1.00 0.00 C ATOM 1853 C ARG A 119 -0.732 14.000 -3.930 1.00 0.00 C ATOM 1854 O ARG A 119 0.267 14.646 -4.246 1.00 0.00 O ATOM 1855 CB ARG A 119 -2.949 15.155 -3.833 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.219 14.665 -2.420 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.466 15.309 -1.836 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.183 16.614 -1.245 1.00 0.00 N ATOM 1859 CZ ARG A 119 -5.124 17.494 -0.922 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.402 17.210 -1.130 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -4.787 18.662 -0.389 1.00 0.00 N ATOM 0 H ARG A 119 -3.645 12.861 -4.410 1.00 0.00 H new ATOM 0 HA ARG A 119 -1.859 14.667 -5.620 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -2.477 16.136 -3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.899 15.284 -4.351 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -3.336 13.581 -2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.361 14.889 -1.786 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.217 15.421 -2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.892 14.652 -1.077 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.209 16.863 -1.071 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.665 16.313 -1.539 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.122 17.888 -0.881 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -3.805 18.884 -0.227 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.510 19.337 -0.141 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.729 13.092 -2.961 1.00 0.00 N ATOM 1876 CA TRP A 120 0.477 12.794 -2.196 1.00 0.00 C ATOM 1877 C TRP A 120 1.185 11.564 -2.754 1.00 0.00 C ATOM 1878 O TRP A 120 1.947 10.902 -2.049 1.00 0.00 O ATOM 1879 CB TRP A 120 0.130 12.574 -0.723 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.703 13.674 -0.138 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.305 14.955 0.119 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -2.074 13.590 0.264 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.346 15.672 0.656 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.443 14.858 0.755 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -3.027 12.568 0.255 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.723 15.127 1.233 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.297 12.837 0.730 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.636 14.108 1.213 1.00 0.00 C ATOM 0 H TRP A 120 -1.548 12.549 -2.686 1.00 0.00 H new ATOM 0 HA TRP A 120 1.151 13.647 -2.279 1.00 0.00 H new ATOM 0 HB2 TRP A 120 -0.404 11.630 -0.620 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.052 12.482 -0.150 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.683 15.347 -0.072 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.308 16.652 0.936 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.776 11.585 -0.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -3.986 16.106 1.606 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -5.041 12.054 0.729 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.637 14.287 1.576 1.00 0.00 H new ATOM 1899 N TYR A 121 0.929 11.263 -4.022 1.00 0.00 N ATOM 1900 CA TYR A 121 1.541 10.111 -4.673 1.00 0.00 C ATOM 1901 C TYR A 121 2.991 10.403 -5.049 1.00 0.00 C ATOM 1902 O TYR A 121 3.294 11.438 -5.644 1.00 0.00 O ATOM 1903 CB TYR A 121 0.747 9.723 -5.922 1.00 0.00 C ATOM 1904 CG TYR A 121 1.373 8.595 -6.711 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.738 7.406 -6.092 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.598 8.719 -8.076 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.310 6.374 -6.809 1.00 0.00 C ATOM 1908 CE2 TYR A 121 2.169 7.691 -8.802 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.524 6.521 -8.164 1.00 0.00 C ATOM 1910 OH TYR A 121 3.093 5.494 -8.882 1.00 0.00 O ATOM 0 H TYR A 121 0.302 11.801 -4.620 1.00 0.00 H new ATOM 0 HA TYR A 121 1.528 9.279 -3.969 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.261 9.432 -5.626 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.650 10.596 -6.567 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.571 7.287 -5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 121 1.322 9.634 -8.579 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.588 5.457 -6.312 1.00 0.00 H new ATOM 0 HE2 TYR A 121 2.336 7.803 -9.863 1.00 0.00 H new ATOM 0 HH TYR A 121 3.174 5.758 -9.822 1.00 0.00 H new ATOM 1920 N VAL A 122 3.883 9.484 -4.696 1.00 0.00 N ATOM 1921 CA VAL A 122 5.301 9.640 -4.997 1.00 0.00 C ATOM 1922 C VAL A 122 6.020 8.296 -4.971 1.00 0.00 C ATOM 1923 O VAL A 122 6.287 7.727 -3.912 1.00 0.00 O ATOM 1924 CB VAL A 122 5.984 10.595 -4.000 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.495 10.561 -4.177 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.452 12.010 -4.168 1.00 0.00 C ATOM 0 H VAL A 122 3.649 8.623 -4.201 1.00 0.00 H new ATOM 0 HA VAL A 122 5.367 10.064 -5.999 1.00 0.00 H new ATOM 0 HB VAL A 122 5.753 10.262 -2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.960 11.242 -3.464 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.859 9.549 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.750 10.868 -5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.945 12.671 -3.456 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.651 12.356 -5.182 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.377 12.019 -3.987 1.00 0.00 H new ATOM 1936 N PRO A 123 6.343 7.774 -6.163 1.00 0.00 N ATOM 1937 CA PRO A 123 7.037 6.490 -6.304 1.00 0.00 C ATOM 1938 C PRO A 123 8.485 6.559 -5.832 1.00 0.00 C ATOM 1939 O PRO A 123 9.136 7.603 -5.899 1.00 0.00 O ATOM 1940 CB PRO A 123 6.977 6.218 -7.809 1.00 0.00 C ATOM 1941 CG PRO A 123 6.852 7.565 -8.433 1.00 0.00 C ATOM 1942 CD PRO A 123 6.056 8.397 -7.466 1.00 0.00 C ATOM 0 HA PRO A 123 6.578 5.709 -5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.874 5.703 -8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 123 6.128 5.584 -8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.833 8.005 -8.611 1.00 0.00 H new ATOM 0 HG3 PRO A 123 6.351 7.503 -9.399 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.363 9.443 -7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.991 8.373 -7.697 1.00 0.00 H new ATOM 1950 N PRO A 124 9.005 5.423 -5.344 1.00 0.00 N ATOM 1951 CA PRO A 124 10.383 5.329 -4.853 1.00 0.00 C ATOM 1952 C PRO A 124 11.407 5.430 -5.978 1.00 0.00 C ATOM 1953 O PRO A 124 12.444 6.076 -5.829 1.00 0.00 O ATOM 1954 CB PRO A 124 10.434 3.943 -4.205 1.00 0.00 C ATOM 1955 CG PRO A 124 9.375 3.160 -4.901 1.00 0.00 C ATOM 1956 CD PRO A 124 8.287 4.142 -5.236 1.00 0.00 C ATOM 0 HA PRO A 124 10.630 6.143 -4.171 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.414 3.483 -4.331 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.244 4.000 -3.133 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.767 2.689 -5.803 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.997 2.361 -4.263 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.785 3.883 -6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.522 4.174 -4.460 1.00 0.00 H new ATOM 1964 N GLU A 125 11.109 4.788 -7.103 1.00 0.00 N ATOM 1965 CA GLU A 125 12.006 4.806 -8.253 1.00 0.00 C ATOM 1966 C GLU A 125 12.700 6.159 -8.380 1.00 0.00 C ATOM 1967 O GLU A 125 13.834 6.244 -8.851 1.00 0.00 O ATOM 1968 CB GLU A 125 11.233 4.493 -9.536 1.00 0.00 C ATOM 1969 CG GLU A 125 10.565 3.129 -9.527 1.00 0.00 C ATOM 1970 CD GLU A 125 9.156 3.173 -8.968 1.00 0.00 C ATOM 1971 OE1 GLU A 125 8.294 3.835 -9.582 1.00 0.00 O ATOM 1972 OE2 GLU A 125 8.916 2.543 -7.917 1.00 0.00 O ATOM 0 H GLU A 125 10.254 4.249 -7.243 1.00 0.00 H new ATOM 0 HA GLU A 125 12.767 4.040 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 125 10.473 5.259 -9.688 1.00 0.00 H new ATOM 0 HB3 GLU A 125 11.916 4.548 -10.384 1.00 0.00 H new ATOM 0 HG2 GLU A 125 10.537 2.736 -10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 125 11.165 2.438 -8.935 1.00 0.00 H new ATOM 1979 N GLN A 126 12.009 7.213 -7.958 1.00 0.00 N ATOM 1980 CA GLN A 126 12.558 8.562 -8.027 1.00 0.00 C ATOM 1981 C GLN A 126 12.986 9.047 -6.645 1.00 0.00 C ATOM 1982 O GLN A 126 14.075 9.596 -6.479 1.00 0.00 O ATOM 1983 CB GLN A 126 11.529 9.525 -8.622 1.00 0.00 C ATOM 1984 CG GLN A 126 12.070 10.926 -8.855 1.00 0.00 C ATOM 1985 CD GLN A 126 11.005 11.890 -9.339 1.00 0.00 C ATOM 1986 OE1 GLN A 126 11.022 12.325 -10.491 1.00 0.00 O ATOM 1987 NE2 GLN A 126 10.070 12.230 -8.459 1.00 0.00 N ATOM 0 H GLN A 126 11.069 7.159 -7.565 1.00 0.00 H new ATOM 0 HA GLN A 126 13.437 8.537 -8.672 1.00 0.00 H new ATOM 0 HB2 GLN A 126 11.171 9.121 -9.569 1.00 0.00 H new ATOM 0 HB3 GLN A 126 10.669 9.583 -7.954 1.00 0.00 H new ATOM 0 HG2 GLN A 126 12.502 11.303 -7.928 1.00 0.00 H new ATOM 0 HG3 GLN A 126 12.876 10.883 -9.588 1.00 0.00 H new ATOM 0 HE21 GLN A 126 10.094 11.845 -7.515 1.00 0.00 H new ATOM 0 HE22 GLN A 126 9.327 12.876 -8.728 1.00 0.00 H new