USER MOD reduce.3.24.130724 H: found=0, std=0, add=874, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 739 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 85 HIS : no HD1:sc= -0.0235 X(o=0.068,f=-0.39) USER MOD Set 1.2: A 87 THR OG1 : rot 52:sc= 0.0914 USER MOD Set 2.1: A 44 SER OG : rot -71:sc= 0.0831 USER MOD Set 2.2: A 90 TYR OH : rot 119:sc= 1.3 USER MOD Set 3.1: A 26 SER OG : rot 174:sc= 0.675 USER MOD Set 3.2: A 32 GLN : amide:sc= 0.777 X(o=1.5,f=1.2) USER MOD Single : A 6 SER OG : rot 29:sc= 0.0182 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0768 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 146:sc= -0.544 (180deg=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= -0.0663 X(o=-0.066,f=-0.098) USER MOD Single : A 29 ASN : amide:sc= -0.636 K(o=-0.64,f=-5!) USER MOD Single : A 31 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.0011) USER MOD Single : A 34 THR OG1 : rot 173:sc= 1.15 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 80:sc= -2.68 USER MOD Single : A 43 TYR OH : rot 151:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.0412 USER MOD Single : A 60 HIS : no HE2:sc= 0.649 K(o=0.65,f=-2.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 164:sc= 1.21 (180deg=1.15) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.22 K(o=-1.2,f=-0.65) USER MOD Single : A 67 ASN : amide:sc= 0.504 K(o=0.5,f=-1.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.0201 X(o=0.02,f=-0.014) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00103 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 1.14 K(o=1.1,f=-0.0041) USER MOD Single : A 102 GLN : amide:sc= -0.0201 X(o=-0.02,f=-0.16) USER MOD Single : A 108 ASN : amide:sc= 0.341 X(o=0.34,f=-0.016) USER MOD Single : A 109 TYR OH : rot -176:sc= 0.0454 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0.00665 USER MOD ----------------------------------------------------------------- ATOM 63 N SER A 6 -7.971 -12.311 -12.212 1.00 12.44 N ATOM 64 CA SER A 6 -7.614 -12.285 -10.811 1.00 33.23 C ATOM 65 C SER A 6 -6.802 -13.531 -10.456 1.00 52.22 C ATOM 66 O SER A 6 -6.886 -14.053 -9.345 1.00 53.21 O ATOM 67 CB SER A 6 -8.900 -12.134 -9.988 1.00 4.02 C ATOM 68 OG SER A 6 -9.441 -10.837 -10.184 1.00 54.40 O ATOM 0 HA SER A 6 -6.973 -11.435 -10.579 1.00 33.23 H new ATOM 0 HB2 SER A 6 -9.626 -12.891 -10.286 1.00 4.02 H new ATOM 0 HB3 SER A 6 -8.688 -12.295 -8.931 1.00 4.02 H new ATOM 0 HG SER A 6 -9.198 -10.512 -11.076 1.00 54.40 H new ATOM 73 N ASP A 7 -6.027 -14.024 -11.420 1.00 30.12 N ATOM 74 CA ASP A 7 -5.347 -15.318 -11.383 1.00 23.55 C ATOM 75 C ASP A 7 -4.002 -15.252 -10.663 1.00 54.14 C ATOM 76 O ASP A 7 -3.181 -16.160 -10.780 1.00 65.50 O ATOM 77 CB ASP A 7 -5.171 -15.828 -12.825 1.00 11.24 C ATOM 78 CG ASP A 7 -5.896 -17.141 -13.123 1.00 65.10 C ATOM 79 OD1 ASP A 7 -6.327 -17.873 -12.202 1.00 13.45 O ATOM 80 OD2 ASP A 7 -6.072 -17.423 -14.330 1.00 45.21 O ATOM 0 H ASP A 7 -5.848 -13.512 -12.284 1.00 30.12 H new ATOM 0 HA ASP A 7 -5.964 -16.012 -10.812 1.00 23.55 H new ATOM 0 HB2 ASP A 7 -5.531 -15.064 -13.514 1.00 11.24 H new ATOM 0 HB3 ASP A 7 -4.107 -15.961 -13.023 1.00 11.24 H new ATOM 84 N THR A 8 -3.755 -14.155 -9.957 1.00 2.45 N ATOM 85 CA THR A 8 -2.582 -13.923 -9.130 1.00 11.42 C ATOM 86 C THR A 8 -2.368 -15.040 -8.096 1.00 24.14 C ATOM 87 O THR A 8 -3.314 -15.759 -7.759 1.00 50.21 O ATOM 88 CB THR A 8 -2.705 -12.542 -8.445 1.00 74.44 C ATOM 89 OG1 THR A 8 -4.054 -12.174 -8.196 1.00 70.13 O ATOM 90 CG2 THR A 8 -2.081 -11.475 -9.342 1.00 41.13 C ATOM 0 H THR A 8 -4.401 -13.365 -9.947 1.00 2.45 H new ATOM 0 HA THR A 8 -1.702 -13.931 -9.774 1.00 11.42 H new ATOM 0 HB THR A 8 -2.188 -12.614 -7.488 1.00 74.44 H new ATOM 0 HG1 THR A 8 -4.079 -11.296 -7.761 1.00 70.13 H new ATOM 0 HG21 THR A 8 -2.166 -10.500 -8.862 1.00 41.13 H new ATOM 0 HG22 THR A 8 -1.029 -11.708 -9.506 1.00 41.13 H new ATOM 0 HG23 THR A 8 -2.602 -11.454 -10.299 1.00 41.13 H new ATOM 98 N PRO A 9 -1.143 -15.172 -7.558 1.00 63.43 N ATOM 99 CA PRO A 9 -0.840 -16.092 -6.471 1.00 21.42 C ATOM 100 C PRO A 9 -1.620 -15.726 -5.199 1.00 30.32 C ATOM 101 O PRO A 9 -2.326 -14.710 -5.148 1.00 53.02 O ATOM 102 CB PRO A 9 0.688 -16.079 -6.332 1.00 42.23 C ATOM 103 CG PRO A 9 1.192 -14.863 -7.107 1.00 14.43 C ATOM 104 CD PRO A 9 0.021 -14.400 -7.953 1.00 42.22 C ATOM 0 HA PRO A 9 -1.165 -17.113 -6.671 1.00 21.42 H new ATOM 0 HB2 PRO A 9 0.980 -16.017 -5.284 1.00 42.23 H new ATOM 0 HB3 PRO A 9 1.120 -16.997 -6.730 1.00 42.23 H new ATOM 0 HG2 PRO A 9 1.520 -14.075 -6.429 1.00 14.43 H new ATOM 0 HG3 PRO A 9 2.047 -15.123 -7.731 1.00 14.43 H new ATOM 0 HD2 PRO A 9 -0.159 -13.335 -7.806 1.00 42.22 H new ATOM 0 HD3 PRO A 9 0.234 -14.544 -9.012 1.00 42.22 H new ATOM 109 N LYS A 10 -1.513 -16.557 -4.160 1.00 71.23 N ATOM 110 CA LYS A 10 -2.037 -16.267 -2.829 1.00 45.31 C ATOM 111 C LYS A 10 -0.864 -16.007 -1.902 1.00 34.42 C ATOM 112 O LYS A 10 0.163 -16.687 -1.978 1.00 53.14 O ATOM 113 CB LYS A 10 -2.934 -17.403 -2.322 1.00 51.01 C ATOM 114 CG LYS A 10 -4.284 -17.394 -3.067 1.00 43.33 C ATOM 115 CD LYS A 10 -4.512 -18.634 -3.928 1.00 33.24 C ATOM 116 CE LYS A 10 -4.900 -19.816 -3.039 1.00 35.21 C ATOM 117 NZ LYS A 10 -5.316 -20.997 -3.821 1.00 74.10 N ATOM 0 H LYS A 10 -1.052 -17.465 -4.224 1.00 71.23 H new ATOM 0 HA LYS A 10 -2.669 -15.380 -2.863 1.00 45.31 H new ATOM 0 HB2 LYS A 10 -2.436 -18.361 -2.469 1.00 51.01 H new ATOM 0 HB3 LYS A 10 -3.102 -17.292 -1.251 1.00 51.01 H new ATOM 0 HG2 LYS A 10 -5.091 -17.313 -2.339 1.00 43.33 H new ATOM 0 HG3 LYS A 10 -4.335 -16.508 -3.699 1.00 43.33 H new ATOM 0 HD2 LYS A 10 -5.299 -18.442 -4.658 1.00 33.24 H new ATOM 0 HD3 LYS A 10 -3.608 -18.870 -4.489 1.00 33.24 H new ATOM 0 HE2 LYS A 10 -4.054 -20.083 -2.405 1.00 35.21 H new ATOM 0 HE3 LYS A 10 -5.713 -19.518 -2.377 1.00 35.21 H new ATOM 0 HZ1 LYS A 10 -5.569 -21.771 -3.174 1.00 74.10 H new ATOM 0 HZ2 LYS A 10 -6.140 -20.753 -4.407 1.00 74.10 H new ATOM 0 HZ3 LYS A 10 -4.533 -21.301 -4.434 1.00 74.10 H new ATOM 127 N VAL A 11 -0.987 -14.952 -1.100 1.00 34.43 N ATOM 128 CA VAL A 11 0.025 -14.575 -0.126 1.00 4.11 C ATOM 129 C VAL A 11 0.051 -15.658 0.948 1.00 44.34 C ATOM 130 O VAL A 11 -0.990 -16.243 1.272 1.00 12.05 O ATOM 131 CB VAL A 11 -0.311 -13.178 0.437 1.00 14.21 C ATOM 132 CG1 VAL A 11 0.575 -12.719 1.602 1.00 75.54 C ATOM 133 CG2 VAL A 11 -0.193 -12.131 -0.675 1.00 13.42 C ATOM 0 H VAL A 11 -1.798 -14.333 -1.111 1.00 34.43 H new ATOM 0 HA VAL A 11 1.019 -14.504 -0.568 1.00 4.11 H new ATOM 0 HB VAL A 11 -1.327 -13.268 0.823 1.00 14.21 H new ATOM 0 HG11 VAL A 11 0.262 -11.727 1.928 1.00 75.54 H new ATOM 0 HG12 VAL A 11 0.479 -13.421 2.431 1.00 75.54 H new ATOM 0 HG13 VAL A 11 1.614 -12.682 1.276 1.00 75.54 H new ATOM 0 HG21 VAL A 11 -0.431 -11.146 -0.274 1.00 13.42 H new ATOM 0 HG22 VAL A 11 0.825 -12.128 -1.065 1.00 13.42 H new ATOM 0 HG23 VAL A 11 -0.889 -12.373 -1.478 1.00 13.42 H new ATOM 143 N THR A 12 1.211 -15.877 1.547 1.00 40.30 N ATOM 144 CA THR A 12 1.419 -16.857 2.600 1.00 0.21 C ATOM 145 C THR A 12 2.050 -16.189 3.819 1.00 75.54 C ATOM 146 O THR A 12 1.536 -16.350 4.929 1.00 15.22 O ATOM 147 CB THR A 12 2.267 -18.004 2.036 1.00 60.21 C ATOM 148 OG1 THR A 12 3.354 -17.506 1.283 1.00 41.23 O ATOM 149 CG2 THR A 12 1.430 -18.893 1.115 1.00 23.45 C ATOM 0 H THR A 12 2.058 -15.362 1.306 1.00 40.30 H new ATOM 0 HA THR A 12 0.471 -17.276 2.938 1.00 0.21 H new ATOM 0 HB THR A 12 2.634 -18.579 2.886 1.00 60.21 H new ATOM 0 HG1 THR A 12 3.881 -18.255 0.935 1.00 41.23 H new ATOM 0 HG21 THR A 12 2.051 -19.700 0.726 1.00 23.45 H new ATOM 0 HG22 THR A 12 0.596 -19.315 1.676 1.00 23.45 H new ATOM 0 HG23 THR A 12 1.046 -18.299 0.286 1.00 23.45 H new ATOM 157 N GLY A 13 3.107 -15.398 3.606 1.00 31.45 N ATOM 158 CA GLY A 13 3.850 -14.696 4.628 1.00 75.12 C ATOM 159 C GLY A 13 3.696 -13.196 4.429 1.00 2.04 C ATOM 160 O GLY A 13 3.692 -12.692 3.305 1.00 42.33 O ATOM 0 H GLY A 13 3.475 -15.230 2.670 1.00 31.45 H new ATOM 0 HA2 GLY A 13 3.488 -14.981 5.616 1.00 75.12 H new ATOM 0 HA3 GLY A 13 4.903 -14.973 4.582 1.00 75.12 H new ATOM 164 N LEU A 14 3.603 -12.488 5.547 1.00 21.13 N ATOM 165 CA LEU A 14 3.442 -11.044 5.669 1.00 1.03 C ATOM 166 C LEU A 14 4.264 -10.596 6.872 1.00 31.13 C ATOM 167 O LEU A 14 3.994 -11.053 7.985 1.00 0.32 O ATOM 168 CB LEU A 14 1.953 -10.708 5.875 1.00 22.42 C ATOM 169 CG LEU A 14 1.229 -10.440 4.545 1.00 60.51 C ATOM 170 CD1 LEU A 14 -0.264 -10.757 4.668 1.00 55.20 C ATOM 171 CD2 LEU A 14 1.396 -8.980 4.127 1.00 13.42 C ATOM 0 H LEU A 14 3.641 -12.941 6.460 1.00 21.13 H new ATOM 0 HA LEU A 14 3.782 -10.531 4.769 1.00 1.03 H new ATOM 0 HB2 LEU A 14 1.464 -11.533 6.393 1.00 22.42 H new ATOM 0 HB3 LEU A 14 1.865 -9.832 6.517 1.00 22.42 H new ATOM 0 HG LEU A 14 1.674 -11.087 3.789 1.00 60.51 H new ATOM 0 HD11 LEU A 14 -0.757 -10.560 3.716 1.00 55.20 H new ATOM 0 HD12 LEU A 14 -0.392 -11.806 4.933 1.00 55.20 H new ATOM 0 HD13 LEU A 14 -0.706 -10.130 5.442 1.00 55.20 H new ATOM 0 HD21 LEU A 14 0.877 -8.810 3.184 1.00 13.42 H new ATOM 0 HD22 LEU A 14 0.975 -8.331 4.895 1.00 13.42 H new ATOM 0 HD23 LEU A 14 2.456 -8.756 4.004 1.00 13.42 H new ATOM 182 N LYS A 15 5.276 -9.751 6.677 1.00 63.40 N ATOM 183 CA LYS A 15 6.144 -9.241 7.736 1.00 15.41 C ATOM 184 C LYS A 15 5.999 -7.733 7.824 1.00 72.22 C ATOM 185 O LYS A 15 5.605 -7.083 6.859 1.00 0.42 O ATOM 186 CB LYS A 15 7.608 -9.651 7.467 1.00 2.43 C ATOM 187 CG LYS A 15 8.107 -10.649 8.516 1.00 13.42 C ATOM 188 CD LYS A 15 7.443 -12.026 8.381 1.00 62.43 C ATOM 189 CE LYS A 15 7.198 -12.624 9.763 1.00 13.04 C ATOM 190 NZ LYS A 15 8.345 -13.432 10.245 1.00 1.31 N ATOM 0 H LYS A 15 5.520 -9.393 5.754 1.00 63.40 H new ATOM 0 HA LYS A 15 5.850 -9.672 8.693 1.00 15.41 H new ATOM 0 HB2 LYS A 15 7.688 -10.093 6.474 1.00 2.43 H new ATOM 0 HB3 LYS A 15 8.243 -8.765 7.473 1.00 2.43 H new ATOM 0 HG2 LYS A 15 9.187 -10.760 8.422 1.00 13.42 H new ATOM 0 HG3 LYS A 15 7.912 -10.252 9.512 1.00 13.42 H new ATOM 0 HD2 LYS A 15 6.499 -11.933 7.843 1.00 62.43 H new ATOM 0 HD3 LYS A 15 8.079 -12.690 7.796 1.00 62.43 H new ATOM 0 HE2 LYS A 15 7.000 -11.821 10.473 1.00 13.04 H new ATOM 0 HE3 LYS A 15 6.305 -13.249 9.732 1.00 13.04 H new ATOM 0 HZ1 LYS A 15 8.128 -13.815 11.187 1.00 1.31 H new ATOM 0 HZ2 LYS A 15 8.520 -14.216 9.584 1.00 1.31 H new ATOM 0 HZ3 LYS A 15 9.193 -12.832 10.302 1.00 1.31 H new ATOM 200 N LEU A 16 6.378 -7.153 8.958 1.00 20.54 N ATOM 201 CA LEU A 16 6.296 -5.719 9.207 1.00 61.33 C ATOM 202 C LEU A 16 7.636 -5.185 9.667 1.00 3.11 C ATOM 203 O LEU A 16 8.417 -5.915 10.290 1.00 53.03 O ATOM 204 CB LEU A 16 5.238 -5.421 10.286 1.00 23.25 C ATOM 205 CG LEU A 16 3.969 -4.746 9.777 1.00 12.05 C ATOM 206 CD1 LEU A 16 4.272 -3.360 9.202 1.00 72.11 C ATOM 207 CD2 LEU A 16 3.252 -5.647 8.780 1.00 35.12 C ATOM 0 H LEU A 16 6.758 -7.678 9.746 1.00 20.54 H new ATOM 0 HA LEU A 16 6.012 -5.230 8.275 1.00 61.33 H new ATOM 0 HB2 LEU A 16 4.963 -6.357 10.772 1.00 23.25 H new ATOM 0 HB3 LEU A 16 5.688 -4.786 11.049 1.00 23.25 H new ATOM 0 HG LEU A 16 3.293 -4.590 10.618 1.00 12.05 H new ATOM 0 HD11 LEU A 16 3.348 -2.903 8.847 1.00 72.11 H new ATOM 0 HD12 LEU A 16 4.712 -2.733 9.977 1.00 72.11 H new ATOM 0 HD13 LEU A 16 4.972 -3.456 8.372 1.00 72.11 H new ATOM 0 HD21 LEU A 16 2.348 -5.151 8.426 1.00 35.12 H new ATOM 0 HD22 LEU A 16 3.910 -5.850 7.935 1.00 35.12 H new ATOM 0 HD23 LEU A 16 2.984 -6.586 9.265 1.00 35.12 H new ATOM 218 N LYS A 17 7.886 -3.902 9.395 1.00 0.42 N ATOM 219 CA LYS A 17 9.049 -3.165 9.870 1.00 2.03 C ATOM 220 C LYS A 17 8.575 -1.791 10.341 1.00 60.32 C ATOM 221 O LYS A 17 8.663 -0.815 9.592 1.00 24.53 O ATOM 222 CB LYS A 17 10.168 -3.071 8.805 1.00 52.43 C ATOM 223 CG LYS A 17 10.326 -4.263 7.839 1.00 0.34 C ATOM 224 CD LYS A 17 9.948 -3.937 6.396 1.00 11.41 C ATOM 225 CE LYS A 17 11.127 -3.710 5.429 1.00 51.42 C ATOM 226 NZ LYS A 17 12.246 -4.680 5.526 1.00 44.04 N ATOM 0 H LYS A 17 7.263 -3.334 8.820 1.00 0.42 H new ATOM 0 HA LYS A 17 9.504 -3.701 10.703 1.00 2.03 H new ATOM 0 HB2 LYS A 17 9.993 -2.175 8.210 1.00 52.43 H new ATOM 0 HB3 LYS A 17 11.116 -2.929 9.323 1.00 52.43 H new ATOM 0 HG2 LYS A 17 11.360 -4.607 7.866 1.00 0.34 H new ATOM 0 HG3 LYS A 17 9.707 -5.088 8.190 1.00 0.34 H new ATOM 0 HD2 LYS A 17 9.336 -4.751 6.008 1.00 11.41 H new ATOM 0 HD3 LYS A 17 9.326 -3.042 6.397 1.00 11.41 H new ATOM 0 HE2 LYS A 17 10.743 -3.730 4.409 1.00 51.42 H new ATOM 0 HE3 LYS A 17 11.524 -2.710 5.601 1.00 51.42 H new ATOM 0 HZ1 LYS A 17 12.656 -4.833 4.582 1.00 44.04 H new ATOM 0 HZ2 LYS A 17 12.977 -4.305 6.164 1.00 44.04 H new ATOM 0 HZ3 LYS A 17 11.891 -5.583 5.900 1.00 44.04 H new ATOM 236 N ARG A 18 8.061 -1.690 11.573 1.00 20.45 N ATOM 237 CA ARG A 18 7.586 -0.415 12.131 1.00 22.24 C ATOM 238 C ARG A 18 8.667 0.665 12.016 1.00 21.33 C ATOM 239 O ARG A 18 8.405 1.750 11.508 1.00 24.24 O ATOM 240 CB ARG A 18 7.029 -0.619 13.562 1.00 42.34 C ATOM 241 CG ARG A 18 8.021 -0.430 14.724 1.00 23.51 C ATOM 242 CD ARG A 18 7.489 -1.010 16.044 1.00 75.24 C ATOM 243 NE ARG A 18 8.356 -0.669 17.179 1.00 20.55 N ATOM 244 CZ ARG A 18 8.151 -0.999 18.458 1.00 40.31 C ATOM 245 NH1 ARG A 18 7.144 -1.786 18.818 1.00 55.01 N ATOM 246 NH2 ARG A 18 8.945 -0.524 19.408 1.00 11.33 N ATOM 0 H ARG A 18 7.962 -2.482 12.208 1.00 20.45 H new ATOM 0 HA ARG A 18 6.746 -0.046 11.542 1.00 22.24 H new ATOM 0 HB2 ARG A 18 6.200 0.074 13.706 1.00 42.34 H new ATOM 0 HB3 ARG A 18 6.617 -1.626 13.626 1.00 42.34 H new ATOM 0 HG2 ARG A 18 8.967 -0.911 14.473 1.00 23.51 H new ATOM 0 HG3 ARG A 18 8.228 0.632 14.853 1.00 23.51 H new ATOM 0 HD2 ARG A 18 6.484 -0.631 16.228 1.00 75.24 H new ATOM 0 HD3 ARG A 18 7.411 -2.094 15.959 1.00 75.24 H new ATOM 0 HE ARG A 18 9.196 -0.128 16.971 1.00 20.55 H new ATOM 0 HH11 ARG A 18 6.506 -2.153 18.112 1.00 55.01 H new ATOM 0 HH12 ARG A 18 7.008 -2.024 19.801 1.00 55.01 H new ATOM 0 HH21 ARG A 18 9.717 0.097 19.164 1.00 11.33 H new ATOM 0 HH22 ARG A 18 8.784 -0.779 20.382 1.00 11.33 H new ATOM 257 N LYS A 19 9.918 0.307 12.335 1.00 53.41 N ATOM 258 CA LYS A 19 11.108 1.163 12.283 1.00 15.35 C ATOM 259 C LYS A 19 11.394 1.773 10.908 1.00 15.15 C ATOM 260 O LYS A 19 12.233 2.667 10.826 1.00 23.51 O ATOM 261 CB LYS A 19 12.329 0.329 12.706 1.00 43.44 C ATOM 262 CG LYS A 19 12.331 -0.088 14.186 1.00 60.43 C ATOM 263 CD LYS A 19 13.271 0.766 15.044 1.00 51.32 C ATOM 264 CE LYS A 19 12.793 2.216 15.172 1.00 52.42 C ATOM 265 NZ LYS A 19 13.737 3.027 15.962 1.00 11.45 N ATOM 0 H LYS A 19 10.137 -0.637 12.653 1.00 53.41 H new ATOM 0 HA LYS A 19 10.914 1.997 12.957 1.00 15.35 H new ATOM 0 HB2 LYS A 19 12.373 -0.568 12.088 1.00 43.44 H new ATOM 0 HB3 LYS A 19 13.234 0.902 12.501 1.00 43.44 H new ATOM 0 HG2 LYS A 19 11.318 -0.013 14.581 1.00 60.43 H new ATOM 0 HG3 LYS A 19 12.627 -1.134 14.263 1.00 60.43 H new ATOM 0 HD2 LYS A 19 13.353 0.325 16.037 1.00 51.32 H new ATOM 0 HD3 LYS A 19 14.269 0.753 14.607 1.00 51.32 H new ATOM 0 HE2 LYS A 19 12.679 2.652 14.179 1.00 52.42 H new ATOM 0 HE3 LYS A 19 11.811 2.236 15.644 1.00 52.42 H new ATOM 0 HZ1 LYS A 19 13.384 4.003 16.030 1.00 11.45 H new ATOM 0 HZ2 LYS A 19 13.826 2.624 16.917 1.00 11.45 H new ATOM 0 HZ3 LYS A 19 14.668 3.027 15.498 1.00 11.45 H new ATOM 275 N SER A 20 10.761 1.290 9.844 1.00 35.25 N ATOM 276 CA SER A 20 10.958 1.741 8.473 1.00 75.54 C ATOM 277 C SER A 20 9.623 2.040 7.796 1.00 60.51 C ATOM 278 O SER A 20 9.606 2.300 6.597 1.00 20.55 O ATOM 279 CB SER A 20 11.727 0.649 7.729 1.00 75.34 C ATOM 280 OG SER A 20 13.034 0.552 8.258 1.00 35.45 O ATOM 0 H SER A 20 10.069 0.544 9.917 1.00 35.25 H new ATOM 0 HA SER A 20 11.527 2.671 8.461 1.00 75.54 H new ATOM 0 HB2 SER A 20 11.211 -0.306 7.828 1.00 75.34 H new ATOM 0 HB3 SER A 20 11.770 0.880 6.665 1.00 75.34 H new ATOM 0 HG SER A 20 13.528 -0.149 7.783 1.00 35.45 H new ATOM 285 N ARG A 21 8.508 1.995 8.535 1.00 0.23 N ATOM 286 CA ARG A 21 7.134 2.108 8.059 1.00 52.31 C ATOM 287 C ARG A 21 6.829 1.275 6.807 1.00 55.30 C ATOM 288 O ARG A 21 6.031 1.674 5.964 1.00 74.22 O ATOM 289 CB ARG A 21 6.694 3.585 8.027 1.00 35.42 C ATOM 290 CG ARG A 21 7.469 4.601 7.183 1.00 13.14 C ATOM 291 CD ARG A 21 7.364 4.324 5.687 1.00 75.12 C ATOM 292 NE ARG A 21 7.919 5.423 4.894 1.00 41.00 N ATOM 293 CZ ARG A 21 9.215 5.712 4.758 1.00 33.25 C ATOM 294 NH1 ARG A 21 10.144 4.897 5.255 1.00 15.12 N ATOM 295 NH2 ARG A 21 9.577 6.827 4.139 1.00 75.20 N ATOM 0 H ARG A 21 8.550 1.870 9.546 1.00 0.23 H new ATOM 0 HA ARG A 21 6.481 1.626 8.787 1.00 52.31 H new ATOM 0 HB2 ARG A 21 5.658 3.606 7.688 1.00 35.42 H new ATOM 0 HB3 ARG A 21 6.701 3.947 9.055 1.00 35.42 H new ATOM 0 HG2 ARG A 21 7.092 5.603 7.390 1.00 13.14 H new ATOM 0 HG3 ARG A 21 8.518 4.588 7.478 1.00 13.14 H new ATOM 0 HD2 ARG A 21 7.892 3.401 5.450 1.00 75.12 H new ATOM 0 HD3 ARG A 21 6.319 4.172 5.417 1.00 75.12 H new ATOM 0 HE ARG A 21 7.256 6.021 4.401 1.00 41.00 H new ATOM 0 HH11 ARG A 21 9.867 4.045 5.743 1.00 15.12 H new ATOM 0 HH12 ARG A 21 11.132 5.124 5.147 1.00 15.12 H new ATOM 0 HH21 ARG A 21 8.867 7.459 3.770 1.00 75.20 H new ATOM 0 HH22 ARG A 21 10.566 7.053 4.032 1.00 75.20 H new ATOM 306 N GLN A 22 7.414 0.081 6.699 1.00 54.13 N ATOM 307 CA GLN A 22 7.277 -0.777 5.531 1.00 74.23 C ATOM 308 C GLN A 22 6.681 -2.123 5.939 1.00 14.04 C ATOM 309 O GLN A 22 6.852 -2.552 7.084 1.00 61.43 O ATOM 310 CB GLN A 22 8.665 -0.979 4.916 1.00 43.21 C ATOM 311 CG GLN A 22 9.119 0.154 4.002 1.00 13.42 C ATOM 312 CD GLN A 22 10.636 0.105 3.821 1.00 24.41 C ATOM 313 OE1 GLN A 22 11.355 1.064 4.081 1.00 30.35 O ATOM 314 NE2 GLN A 22 11.180 -1.040 3.433 1.00 62.20 N ATOM 0 H GLN A 22 8.002 -0.318 7.431 1.00 54.13 H new ATOM 0 HA GLN A 22 6.611 -0.315 4.802 1.00 74.23 H new ATOM 0 HB2 GLN A 22 9.392 -1.095 5.720 1.00 43.21 H new ATOM 0 HB3 GLN A 22 8.666 -1.910 4.349 1.00 43.21 H new ATOM 0 HG2 GLN A 22 8.626 0.070 3.033 1.00 13.42 H new ATOM 0 HG3 GLN A 22 8.826 1.114 4.427 1.00 13.42 H new ATOM 0 HE21 GLN A 22 10.585 -1.840 3.216 1.00 62.20 H new ATOM 0 HE22 GLN A 22 12.193 -1.121 3.352 1.00 62.20 H new ATOM 321 N LEU A 23 6.063 -2.821 4.985 1.00 75.53 N ATOM 322 CA LEU A 23 5.462 -4.155 5.151 1.00 42.03 C ATOM 323 C LEU A 23 5.933 -5.049 4.005 1.00 23.13 C ATOM 324 O LEU A 23 5.914 -4.606 2.860 1.00 20.41 O ATOM 325 CB LEU A 23 3.916 -3.993 5.154 1.00 34.51 C ATOM 326 CG LEU A 23 3.059 -5.249 4.855 1.00 15.45 C ATOM 327 CD1 LEU A 23 1.678 -5.199 5.522 1.00 3.44 C ATOM 328 CD2 LEU A 23 2.713 -5.337 3.368 1.00 64.11 C ATOM 0 H LEU A 23 5.961 -2.462 4.036 1.00 75.53 H new ATOM 0 HA LEU A 23 5.765 -4.618 6.090 1.00 42.03 H new ATOM 0 HB2 LEU A 23 3.621 -3.611 6.131 1.00 34.51 H new ATOM 0 HB3 LEU A 23 3.658 -3.229 4.421 1.00 34.51 H new ATOM 0 HG LEU A 23 3.665 -6.079 5.219 1.00 15.45 H new ATOM 0 HD11 LEU A 23 1.123 -6.105 5.277 1.00 3.44 H new ATOM 0 HD12 LEU A 23 1.798 -5.128 6.603 1.00 3.44 H new ATOM 0 HD13 LEU A 23 1.130 -4.329 5.160 1.00 3.44 H new ATOM 0 HD21 LEU A 23 2.111 -6.228 3.187 1.00 64.11 H new ATOM 0 HD22 LEU A 23 2.150 -4.452 3.073 1.00 64.11 H new ATOM 0 HD23 LEU A 23 3.631 -5.394 2.784 1.00 64.11 H new ATOM 339 N GLU A 24 6.364 -6.277 4.303 1.00 55.31 N ATOM 340 CA GLU A 24 6.930 -7.243 3.355 1.00 61.24 C ATOM 341 C GLU A 24 5.932 -8.364 3.092 1.00 35.34 C ATOM 342 O GLU A 24 5.149 -8.716 3.978 1.00 60.24 O ATOM 343 CB GLU A 24 8.258 -7.836 3.863 1.00 4.13 C ATOM 344 CG GLU A 24 9.197 -6.764 4.419 1.00 43.04 C ATOM 345 CD GLU A 24 10.700 -6.946 4.216 1.00 2.11 C ATOM 346 OE1 GLU A 24 11.395 -7.438 5.129 1.00 4.23 O ATOM 347 OE2 GLU A 24 11.237 -6.290 3.290 1.00 42.32 O ATOM 0 H GLU A 24 6.327 -6.643 5.254 1.00 55.31 H new ATOM 0 HA GLU A 24 7.136 -6.709 2.427 1.00 61.24 H new ATOM 0 HB2 GLU A 24 8.051 -8.573 4.639 1.00 4.13 H new ATOM 0 HB3 GLU A 24 8.754 -8.363 3.048 1.00 4.13 H new ATOM 0 HG2 GLU A 24 8.914 -5.810 3.974 1.00 43.04 H new ATOM 0 HG3 GLU A 24 9.013 -6.683 5.490 1.00 43.04 H new ATOM 352 N ILE A 25 5.959 -8.909 1.878 1.00 50.03 N ATOM 353 CA ILE A 25 4.918 -9.745 1.293 1.00 12.25 C ATOM 354 C ILE A 25 5.580 -10.849 0.510 1.00 13.35 C ATOM 355 O ILE A 25 6.572 -10.624 -0.186 1.00 53.43 O ATOM 356 CB ILE A 25 4.022 -8.886 0.349 1.00 3.41 C ATOM 357 CG1 ILE A 25 3.324 -7.724 1.091 1.00 74.21 C ATOM 358 CG2 ILE A 25 2.952 -9.733 -0.372 1.00 70.21 C ATOM 359 CD1 ILE A 25 2.790 -6.602 0.194 1.00 52.34 C ATOM 0 H ILE A 25 6.747 -8.772 1.246 1.00 50.03 H new ATOM 0 HA ILE A 25 4.291 -10.169 2.077 1.00 12.25 H new ATOM 0 HB ILE A 25 4.705 -8.470 -0.391 1.00 3.41 H new ATOM 0 HG12 ILE A 25 2.494 -8.130 1.670 1.00 74.21 H new ATOM 0 HG13 ILE A 25 4.029 -7.294 1.803 1.00 74.21 H new ATOM 0 HG21 ILE A 25 2.353 -9.090 -1.018 1.00 70.21 H new ATOM 0 HG22 ILE A 25 3.440 -10.499 -0.974 1.00 70.21 H new ATOM 0 HG23 ILE A 25 2.306 -10.208 0.366 1.00 70.21 H new ATOM 0 HD11 ILE A 25 2.319 -5.836 0.810 1.00 52.34 H new ATOM 0 HD12 ILE A 25 3.614 -6.161 -0.366 1.00 52.34 H new ATOM 0 HD13 ILE A 25 2.056 -7.010 -0.501 1.00 52.34 H new ATOM 370 N SER A 26 4.968 -12.020 0.631 1.00 13.04 N ATOM 371 CA SER A 26 5.515 -13.281 0.233 1.00 65.33 C ATOM 372 C SER A 26 4.396 -14.122 -0.363 1.00 5.45 C ATOM 373 O SER A 26 3.347 -14.315 0.261 1.00 24.41 O ATOM 374 CB SER A 26 6.106 -13.927 1.481 1.00 21.45 C ATOM 375 OG SER A 26 6.981 -13.061 2.185 1.00 21.13 O ATOM 0 H SER A 26 4.033 -12.105 1.030 1.00 13.04 H new ATOM 0 HA SER A 26 6.296 -13.179 -0.521 1.00 65.33 H new ATOM 0 HB2 SER A 26 5.297 -14.235 2.143 1.00 21.45 H new ATOM 0 HB3 SER A 26 6.647 -14.830 1.196 1.00 21.45 H new ATOM 0 HG SER A 26 7.256 -13.485 3.025 1.00 21.13 H new ATOM 380 N PHE A 27 4.600 -14.562 -1.598 1.00 45.44 N ATOM 381 CA PHE A 27 3.639 -15.309 -2.384 1.00 4.43 C ATOM 382 C PHE A 27 4.092 -16.749 -2.534 1.00 30.54 C ATOM 383 O PHE A 27 5.288 -17.041 -2.560 1.00 65.23 O ATOM 384 CB PHE A 27 3.537 -14.699 -3.779 1.00 64.44 C ATOM 385 CG PHE A 27 2.555 -13.573 -3.957 1.00 30.52 C ATOM 386 CD1 PHE A 27 1.201 -13.818 -3.693 1.00 61.10 C ATOM 387 CD2 PHE A 27 2.938 -12.378 -4.583 1.00 3.14 C ATOM 388 CE1 PHE A 27 0.216 -12.916 -4.107 1.00 21.22 C ATOM 389 CE2 PHE A 27 1.947 -11.478 -5.009 1.00 73.12 C ATOM 390 CZ PHE A 27 0.587 -11.763 -4.809 1.00 53.12 C ATOM 0 H PHE A 27 5.476 -14.399 -2.095 1.00 45.44 H new ATOM 0 HA PHE A 27 2.675 -15.272 -1.877 1.00 4.43 H new ATOM 0 HB2 PHE A 27 4.525 -14.337 -4.064 1.00 64.44 H new ATOM 0 HB3 PHE A 27 3.274 -15.493 -4.478 1.00 64.44 H new ATOM 0 HD1 PHE A 27 0.915 -14.715 -3.163 1.00 61.10 H new ATOM 0 HD2 PHE A 27 3.983 -12.152 -4.736 1.00 3.14 H new ATOM 0 HE1 PHE A 27 -0.824 -13.107 -3.887 1.00 21.22 H new ATOM 0 HE2 PHE A 27 2.234 -10.557 -5.495 1.00 73.12 H new ATOM 0 HZ PHE A 27 -0.170 -11.096 -5.195 1.00 53.12 H new ATOM 399 N ASP A 28 3.133 -17.653 -2.724 1.00 72.23 N ATOM 400 CA ASP A 28 3.425 -19.084 -2.767 1.00 2.44 C ATOM 401 C ASP A 28 3.909 -19.559 -4.143 1.00 43.22 C ATOM 402 O ASP A 28 4.131 -20.751 -4.356 1.00 62.14 O ATOM 403 CB ASP A 28 2.189 -19.875 -2.329 1.00 25.13 C ATOM 404 CG ASP A 28 2.513 -21.087 -1.460 1.00 43.04 C ATOM 405 OD1 ASP A 28 3.663 -21.251 -0.991 1.00 50.22 O ATOM 406 OD2 ASP A 28 1.552 -21.836 -1.184 1.00 14.43 O ATOM 0 H ASP A 28 2.148 -17.420 -2.850 1.00 72.23 H new ATOM 0 HA ASP A 28 4.247 -19.266 -2.075 1.00 2.44 H new ATOM 0 HB2 ASP A 28 1.521 -19.213 -1.779 1.00 25.13 H new ATOM 0 HB3 ASP A 28 1.649 -20.208 -3.215 1.00 25.13 H new ATOM 410 N ASN A 29 4.053 -18.646 -5.106 1.00 53.42 N ATOM 411 CA ASN A 29 4.679 -18.894 -6.407 1.00 33.33 C ATOM 412 C ASN A 29 6.177 -18.570 -6.399 1.00 22.51 C ATOM 413 O ASN A 29 6.790 -18.613 -7.462 1.00 31.22 O ATOM 414 CB ASN A 29 3.987 -18.078 -7.512 1.00 2.15 C ATOM 415 CG ASN A 29 4.339 -16.595 -7.472 1.00 65.52 C ATOM 416 OD1 ASN A 29 4.520 -16.017 -6.409 1.00 62.20 O ATOM 417 ND2 ASN A 29 4.387 -15.930 -8.609 1.00 65.24 N ATOM 0 H ASN A 29 3.728 -17.685 -4.999 1.00 53.42 H new ATOM 0 HA ASN A 29 4.562 -19.958 -6.611 1.00 33.33 H new ATOM 0 HB2 ASN A 29 4.266 -18.485 -8.484 1.00 2.15 H new ATOM 0 HB3 ASN A 29 2.907 -18.191 -7.417 1.00 2.15 H new ATOM 0 HD21 ASN A 29 4.576 -14.928 -8.606 1.00 65.24 H new ATOM 0 HD22 ASN A 29 4.235 -16.418 -9.492 1.00 65.24 H new ATOM 423 N GLY A 30 6.758 -18.220 -5.247 1.00 21.33 N ATOM 424 CA GLY A 30 8.152 -17.821 -5.168 1.00 53.01 C ATOM 425 C GLY A 30 8.321 -16.408 -5.720 1.00 25.54 C ATOM 426 O GLY A 30 9.120 -16.186 -6.626 1.00 51.34 O ATOM 0 H GLY A 30 6.271 -18.208 -4.351 1.00 21.33 H new ATOM 0 HA2 GLY A 30 8.492 -17.859 -4.133 1.00 53.01 H new ATOM 0 HA3 GLY A 30 8.771 -18.518 -5.733 1.00 53.01 H new ATOM 430 N GLN A 31 7.581 -15.448 -5.165 1.00 41.10 N ATOM 431 CA GLN A 31 7.830 -14.022 -5.331 1.00 24.23 C ATOM 432 C GLN A 31 7.745 -13.376 -3.956 1.00 45.13 C ATOM 433 O GLN A 31 6.997 -13.831 -3.088 1.00 63.41 O ATOM 434 CB GLN A 31 6.796 -13.364 -6.254 1.00 12.05 C ATOM 435 CG GLN A 31 6.933 -13.718 -7.738 1.00 32.23 C ATOM 436 CD GLN A 31 8.155 -13.155 -8.464 1.00 63.44 C ATOM 437 OE1 GLN A 31 8.655 -13.777 -9.400 1.00 2.02 O ATOM 438 NE2 GLN A 31 8.614 -11.952 -8.140 1.00 62.43 N ATOM 0 H GLN A 31 6.774 -15.648 -4.574 1.00 41.10 H new ATOM 0 HA GLN A 31 8.812 -13.885 -5.784 1.00 24.23 H new ATOM 0 HB2 GLN A 31 5.799 -13.649 -5.919 1.00 12.05 H new ATOM 0 HB3 GLN A 31 6.871 -12.282 -6.146 1.00 12.05 H new ATOM 0 HG2 GLN A 31 6.952 -14.804 -7.829 1.00 32.23 H new ATOM 0 HG3 GLN A 31 6.039 -13.371 -8.255 1.00 32.23 H new ATOM 0 HE21 GLN A 31 8.197 -11.439 -7.363 1.00 62.43 H new ATOM 0 HE22 GLN A 31 9.384 -11.541 -8.668 1.00 62.43 H new ATOM 445 N GLN A 32 8.480 -12.281 -3.800 1.00 44.03 N ATOM 446 CA GLN A 32 8.576 -11.502 -2.576 1.00 52.12 C ATOM 447 C GLN A 32 8.843 -10.042 -2.920 1.00 12.21 C ATOM 448 O GLN A 32 9.639 -9.754 -3.819 1.00 50.03 O ATOM 449 CB GLN A 32 9.692 -12.071 -1.675 1.00 24.12 C ATOM 450 CG GLN A 32 9.064 -12.852 -0.518 1.00 3.31 C ATOM 451 CD GLN A 32 10.028 -13.691 0.310 1.00 5.41 C ATOM 452 OE1 GLN A 32 11.050 -14.195 -0.156 1.00 23.52 O ATOM 453 NE2 GLN A 32 9.693 -13.879 1.572 1.00 52.43 N ATOM 0 H GLN A 32 9.048 -11.898 -4.556 1.00 44.03 H new ATOM 0 HA GLN A 32 7.635 -11.563 -2.029 1.00 52.12 H new ATOM 0 HB2 GLN A 32 10.346 -12.722 -2.255 1.00 24.12 H new ATOM 0 HB3 GLN A 32 10.310 -11.261 -1.288 1.00 24.12 H new ATOM 0 HG2 GLN A 32 8.564 -12.145 0.145 1.00 3.31 H new ATOM 0 HG3 GLN A 32 8.294 -13.509 -0.922 1.00 3.31 H new ATOM 0 HE21 GLN A 32 8.843 -13.454 1.943 1.00 52.43 H new ATOM 0 HE22 GLN A 32 10.284 -14.449 2.177 1.00 52.43 H new ATOM 460 N PHE A 33 8.190 -9.131 -2.205 1.00 73.13 N ATOM 461 CA PHE A 33 8.323 -7.681 -2.347 1.00 10.34 C ATOM 462 C PHE A 33 7.902 -7.004 -1.042 1.00 25.12 C ATOM 463 O PHE A 33 7.552 -7.702 -0.088 1.00 5.01 O ATOM 464 CB PHE A 33 7.495 -7.189 -3.540 1.00 25.53 C ATOM 465 CG PHE A 33 6.083 -7.719 -3.644 1.00 13.15 C ATOM 466 CD1 PHE A 33 5.064 -7.181 -2.839 1.00 42.04 C ATOM 467 CD2 PHE A 33 5.771 -8.679 -4.624 1.00 50.43 C ATOM 468 CE1 PHE A 33 3.735 -7.588 -3.032 1.00 71.11 C ATOM 469 CE2 PHE A 33 4.446 -9.098 -4.800 1.00 13.34 C ATOM 470 CZ PHE A 33 3.426 -8.558 -3.994 1.00 30.11 C ATOM 0 H PHE A 33 7.524 -9.393 -1.478 1.00 73.13 H new ATOM 0 HA PHE A 33 9.363 -7.420 -2.545 1.00 10.34 H new ATOM 0 HB2 PHE A 33 7.449 -6.101 -3.498 1.00 25.53 H new ATOM 0 HB3 PHE A 33 8.026 -7.450 -4.455 1.00 25.53 H new ATOM 0 HD1 PHE A 33 5.303 -6.457 -2.074 1.00 42.04 H new ATOM 0 HD2 PHE A 33 6.554 -9.093 -5.241 1.00 50.43 H new ATOM 0 HE1 PHE A 33 2.947 -7.151 -2.436 1.00 71.11 H new ATOM 0 HE2 PHE A 33 4.207 -9.834 -5.553 1.00 13.34 H new ATOM 0 HZ PHE A 33 2.406 -8.891 -4.117 1.00 30.11 H new ATOM 479 N THR A 34 7.970 -5.677 -0.956 1.00 61.13 N ATOM 480 CA THR A 34 7.659 -4.908 0.243 1.00 5.42 C ATOM 481 C THR A 34 7.082 -3.577 -0.220 1.00 33.41 C ATOM 482 O THR A 34 7.415 -3.147 -1.318 1.00 33.41 O ATOM 483 CB THR A 34 8.958 -4.738 1.059 1.00 14.34 C ATOM 484 OG1 THR A 34 9.421 -6.006 1.470 1.00 61.53 O ATOM 485 CG2 THR A 34 8.914 -3.760 2.225 1.00 21.41 C ATOM 0 H THR A 34 8.251 -5.092 -1.743 1.00 61.13 H new ATOM 0 HA THR A 34 6.930 -5.400 0.887 1.00 5.42 H new ATOM 0 HB THR A 34 9.661 -4.263 0.374 1.00 14.34 H new ATOM 0 HG1 THR A 34 10.301 -5.912 1.890 1.00 61.53 H new ATOM 0 HG21 THR A 34 9.888 -3.733 2.714 1.00 21.41 H new ATOM 0 HG22 THR A 34 8.666 -2.765 1.856 1.00 21.41 H new ATOM 0 HG23 THR A 34 8.157 -4.081 2.941 1.00 21.41 H new ATOM 493 N LEU A 35 6.228 -2.929 0.574 1.00 74.24 N ATOM 494 CA LEU A 35 5.628 -1.638 0.254 1.00 62.30 C ATOM 495 C LEU A 35 5.785 -0.660 1.406 1.00 5.02 C ATOM 496 O LEU A 35 5.939 -1.060 2.567 1.00 33.13 O ATOM 497 CB LEU A 35 4.138 -1.837 -0.069 1.00 1.32 C ATOM 498 CG LEU A 35 3.909 -2.282 -1.523 1.00 21.13 C ATOM 499 CD1 LEU A 35 2.586 -3.039 -1.617 1.00 44.22 C ATOM 500 CD2 LEU A 35 3.870 -1.065 -2.452 1.00 70.11 C ATOM 0 H LEU A 35 5.929 -3.298 1.477 1.00 74.24 H new ATOM 0 HA LEU A 35 6.141 -1.220 -0.612 1.00 62.30 H new ATOM 0 HB2 LEU A 35 3.719 -2.582 0.607 1.00 1.32 H new ATOM 0 HB3 LEU A 35 3.602 -0.905 0.112 1.00 1.32 H new ATOM 0 HG LEU A 35 4.729 -2.931 -1.829 1.00 21.13 H new ATOM 0 HD11 LEU A 35 2.421 -3.356 -2.647 1.00 44.22 H new ATOM 0 HD12 LEU A 35 2.621 -3.915 -0.969 1.00 44.22 H new ATOM 0 HD13 LEU A 35 1.771 -2.387 -1.303 1.00 44.22 H new ATOM 0 HD21 LEU A 35 3.707 -1.395 -3.478 1.00 70.11 H new ATOM 0 HD22 LEU A 35 3.058 -0.403 -2.151 1.00 70.11 H new ATOM 0 HD23 LEU A 35 4.817 -0.529 -2.389 1.00 70.11 H new ATOM 511 N SER A 36 5.697 0.622 1.062 1.00 52.44 N ATOM 512 CA SER A 36 5.762 1.739 1.989 1.00 71.31 C ATOM 513 C SER A 36 4.356 2.008 2.522 1.00 42.21 C ATOM 514 O SER A 36 3.379 1.942 1.766 1.00 11.05 O ATOM 515 CB SER A 36 6.273 2.977 1.242 1.00 13.34 C ATOM 516 OG SER A 36 7.502 2.719 0.586 1.00 32.44 O ATOM 0 H SER A 36 5.574 0.918 0.094 1.00 52.44 H new ATOM 0 HA SER A 36 6.435 1.510 2.815 1.00 71.31 H new ATOM 0 HB2 SER A 36 5.529 3.295 0.511 1.00 13.34 H new ATOM 0 HB3 SER A 36 6.401 3.800 1.945 1.00 13.34 H new ATOM 0 HG SER A 36 7.799 3.527 0.118 1.00 32.44 H new ATOM 521 N CYS A 37 4.239 2.349 3.808 1.00 1.01 N ATOM 522 CA CYS A 37 2.965 2.752 4.399 1.00 2.44 C ATOM 523 C CYS A 37 2.270 3.863 3.595 1.00 42.02 C ATOM 524 O CYS A 37 1.046 3.825 3.462 1.00 63.30 O ATOM 525 CB CYS A 37 3.129 3.157 5.873 1.00 55.22 C ATOM 526 SG CYS A 37 3.848 4.806 6.078 1.00 13.42 S ATOM 0 H CYS A 37 5.021 2.353 4.463 1.00 1.01 H new ATOM 0 HA CYS A 37 2.316 1.877 4.360 1.00 2.44 H new ATOM 0 HB2 CYS A 37 2.156 3.128 6.363 1.00 55.22 H new ATOM 0 HB3 CYS A 37 3.761 2.426 6.377 1.00 55.22 H new ATOM 0 HG CYS A 37 2.926 5.706 5.904 1.00 13.42 H new ATOM 531 N GLU A 38 3.016 4.841 3.066 1.00 11.22 N ATOM 532 CA GLU A 38 2.449 5.982 2.368 1.00 4.33 C ATOM 533 C GLU A 38 1.662 5.502 1.139 1.00 23.22 C ATOM 534 O GLU A 38 0.480 5.829 0.999 1.00 62.21 O ATOM 535 CB GLU A 38 3.551 6.959 1.943 1.00 40.42 C ATOM 536 CG GLU A 38 4.182 7.823 3.044 1.00 14.32 C ATOM 537 CD GLU A 38 5.485 7.244 3.614 1.00 11.03 C ATOM 538 OE1 GLU A 38 6.395 6.862 2.846 1.00 12.25 O ATOM 539 OE2 GLU A 38 5.627 7.154 4.849 1.00 71.14 O ATOM 0 H GLU A 38 4.035 4.855 3.115 1.00 11.22 H new ATOM 0 HA GLU A 38 1.772 6.504 3.045 1.00 4.33 H new ATOM 0 HB2 GLU A 38 4.346 6.386 1.466 1.00 40.42 H new ATOM 0 HB3 GLU A 38 3.139 7.625 1.185 1.00 40.42 H new ATOM 0 HG2 GLU A 38 4.381 8.817 2.644 1.00 14.32 H new ATOM 0 HG3 GLU A 38 3.464 7.944 3.855 1.00 14.32 H new ATOM 544 N LEU A 39 2.282 4.686 0.274 1.00 33.23 N ATOM 545 CA LEU A 39 1.656 4.089 -0.909 1.00 53.43 C ATOM 546 C LEU A 39 0.406 3.310 -0.494 1.00 55.10 C ATOM 547 O LEU A 39 -0.677 3.483 -1.059 1.00 35.51 O ATOM 548 CB LEU A 39 2.637 3.166 -1.660 1.00 41.13 C ATOM 549 CG LEU A 39 2.730 3.385 -3.190 1.00 62.13 C ATOM 550 CD1 LEU A 39 3.530 2.226 -3.784 1.00 53.23 C ATOM 551 CD2 LEU A 39 1.421 3.476 -3.920 1.00 11.35 C ATOM 0 H LEU A 39 3.260 4.417 0.383 1.00 33.23 H new ATOM 0 HA LEU A 39 1.373 4.893 -1.588 1.00 53.43 H new ATOM 0 HB2 LEU A 39 3.631 3.298 -1.232 1.00 41.13 H new ATOM 0 HB3 LEU A 39 2.346 2.132 -1.477 1.00 41.13 H new ATOM 0 HG LEU A 39 3.204 4.358 -3.321 1.00 62.13 H new ATOM 0 HD11 LEU A 39 3.611 2.355 -4.863 1.00 53.23 H new ATOM 0 HD12 LEU A 39 4.527 2.209 -3.345 1.00 53.23 H new ATOM 0 HD13 LEU A 39 3.023 1.286 -3.568 1.00 53.23 H new ATOM 0 HD21 LEU A 39 1.607 3.629 -4.983 1.00 11.35 H new ATOM 0 HD22 LEU A 39 0.861 2.552 -3.779 1.00 11.35 H new ATOM 0 HD23 LEU A 39 0.843 4.313 -3.528 1.00 11.35 H new ATOM 562 N LEU A 40 0.533 2.499 0.566 1.00 52.30 N ATOM 563 CA LEU A 40 -0.548 1.732 1.167 1.00 2.32 C ATOM 564 C LEU A 40 -1.691 2.601 1.683 1.00 44.11 C ATOM 565 O LEU A 40 -2.762 2.047 1.912 1.00 21.44 O ATOM 566 CB LEU A 40 -0.027 0.816 2.290 1.00 32.42 C ATOM 567 CG LEU A 40 0.876 -0.328 1.796 1.00 51.31 C ATOM 568 CD1 LEU A 40 1.539 -1.023 2.988 1.00 63.12 C ATOM 569 CD2 LEU A 40 0.066 -1.336 0.978 1.00 71.41 C ATOM 0 H LEU A 40 1.426 2.360 1.039 1.00 52.30 H new ATOM 0 HA LEU A 40 -0.955 1.117 0.365 1.00 2.32 H new ATOM 0 HB2 LEU A 40 0.528 1.419 3.009 1.00 32.42 H new ATOM 0 HB3 LEU A 40 -0.878 0.390 2.821 1.00 32.42 H new ATOM 0 HG LEU A 40 1.651 0.091 1.155 1.00 51.31 H new ATOM 0 HD11 LEU A 40 2.176 -1.831 2.629 1.00 63.12 H new ATOM 0 HD12 LEU A 40 2.143 -0.302 3.540 1.00 63.12 H new ATOM 0 HD13 LEU A 40 0.771 -1.431 3.645 1.00 63.12 H new ATOM 0 HD21 LEU A 40 0.721 -2.138 0.637 1.00 71.41 H new ATOM 0 HD22 LEU A 40 -0.727 -1.754 1.598 1.00 71.41 H new ATOM 0 HD23 LEU A 40 -0.374 -0.835 0.116 1.00 71.41 H new ATOM 580 N ARG A 41 -1.583 3.930 1.727 1.00 52.11 N ATOM 581 CA ARG A 41 -2.708 4.834 2.029 1.00 63.53 C ATOM 582 C ARG A 41 -3.137 5.723 0.864 1.00 0.15 C ATOM 583 O ARG A 41 -4.326 6.014 0.783 1.00 54.13 O ATOM 584 CB ARG A 41 -2.356 5.675 3.268 1.00 40.00 C ATOM 585 CG ARG A 41 -3.498 5.827 4.284 1.00 73.23 C ATOM 586 CD ARG A 41 -4.630 6.733 3.795 1.00 32.25 C ATOM 587 NE ARG A 41 -5.508 7.149 4.901 1.00 13.04 N ATOM 588 CZ ARG A 41 -6.223 8.277 4.964 1.00 22.40 C ATOM 589 NH1 ARG A 41 -6.273 9.113 3.932 1.00 53.11 N ATOM 590 NH2 ARG A 41 -6.919 8.576 6.049 1.00 1.22 N ATOM 0 H ARG A 41 -0.705 4.420 1.553 1.00 52.11 H new ATOM 0 HA ARG A 41 -3.576 4.205 2.227 1.00 63.53 H new ATOM 0 HB2 ARG A 41 -1.501 5.221 3.768 1.00 40.00 H new ATOM 0 HB3 ARG A 41 -2.044 6.667 2.941 1.00 40.00 H new ATOM 0 HG2 ARG A 41 -3.904 4.842 4.513 1.00 73.23 H new ATOM 0 HG3 ARG A 41 -3.096 6.230 5.214 1.00 73.23 H new ATOM 0 HD2 ARG A 41 -4.208 7.615 3.313 1.00 32.25 H new ATOM 0 HD3 ARG A 41 -5.217 6.208 3.041 1.00 32.25 H new ATOM 0 HE ARG A 41 -5.578 6.515 5.697 1.00 13.04 H new ATOM 0 HH11 ARG A 41 -5.761 8.898 3.076 1.00 53.11 H new ATOM 0 HH12 ARG A 41 -6.823 9.970 3.996 1.00 53.11 H new ATOM 0 HH21 ARG A 41 -6.914 7.943 6.849 1.00 1.22 H new ATOM 0 HH22 ARG A 41 -7.461 9.439 6.086 1.00 1.22 H new ATOM 601 N VAL A 42 -2.247 6.180 -0.018 1.00 43.31 N ATOM 602 CA VAL A 42 -2.699 7.008 -1.145 1.00 33.25 C ATOM 603 C VAL A 42 -3.440 6.151 -2.175 1.00 42.02 C ATOM 604 O VAL A 42 -4.482 6.557 -2.683 1.00 52.03 O ATOM 605 CB VAL A 42 -1.560 7.842 -1.771 1.00 35.23 C ATOM 606 CG1 VAL A 42 -0.929 8.744 -0.704 1.00 60.53 C ATOM 607 CG2 VAL A 42 -0.431 7.028 -2.403 1.00 33.14 C ATOM 0 H VAL A 42 -1.243 6.002 0.018 1.00 43.31 H new ATOM 0 HA VAL A 42 -3.404 7.741 -0.754 1.00 33.25 H new ATOM 0 HB VAL A 42 -2.040 8.405 -2.571 1.00 35.23 H new ATOM 0 HG11 VAL A 42 -0.126 9.330 -1.151 1.00 60.53 H new ATOM 0 HG12 VAL A 42 -1.687 9.415 -0.301 1.00 60.53 H new ATOM 0 HG13 VAL A 42 -0.525 8.129 0.100 1.00 60.53 H new ATOM 0 HG21 VAL A 42 0.319 7.704 -2.814 1.00 33.14 H new ATOM 0 HG22 VAL A 42 0.029 6.394 -1.645 1.00 33.14 H new ATOM 0 HG23 VAL A 42 -0.834 6.405 -3.201 1.00 33.14 H new ATOM 617 N TYR A 43 -2.936 4.951 -2.455 1.00 41.13 N ATOM 618 CA TYR A 43 -3.284 4.177 -3.639 1.00 31.35 C ATOM 619 C TYR A 43 -4.302 3.076 -3.299 1.00 4.22 C ATOM 620 O TYR A 43 -4.100 1.894 -3.581 1.00 31.15 O ATOM 621 CB TYR A 43 -1.967 3.678 -4.256 1.00 60.13 C ATOM 622 CG TYR A 43 -1.960 3.640 -5.762 1.00 74.24 C ATOM 623 CD1 TYR A 43 -3.024 3.034 -6.454 1.00 52.20 C ATOM 624 CD2 TYR A 43 -0.902 4.245 -6.470 1.00 13.14 C ATOM 625 CE1 TYR A 43 -3.062 3.053 -7.850 1.00 11.14 C ATOM 626 CE2 TYR A 43 -0.998 4.356 -7.872 1.00 53.03 C ATOM 627 CZ TYR A 43 -2.070 3.745 -8.573 1.00 23.12 C ATOM 628 OH TYR A 43 -2.146 3.788 -9.932 1.00 12.01 O ATOM 0 H TYR A 43 -2.261 4.482 -1.851 1.00 41.13 H new ATOM 0 HA TYR A 43 -3.797 4.780 -4.388 1.00 31.35 H new ATOM 0 HB2 TYR A 43 -1.155 4.321 -3.917 1.00 60.13 H new ATOM 0 HB3 TYR A 43 -1.760 2.677 -3.879 1.00 60.13 H new ATOM 0 HD1 TYR A 43 -3.817 2.551 -5.902 1.00 52.20 H new ATOM 0 HD2 TYR A 43 -0.033 4.617 -5.948 1.00 13.14 H new ATOM 0 HE1 TYR A 43 -3.852 2.537 -8.376 1.00 11.14 H new ATOM 0 HE2 TYR A 43 -0.249 4.911 -8.417 1.00 53.03 H new ATOM 0 HH TYR A 43 -1.725 4.611 -10.257 1.00 12.01 H new ATOM 637 N SER A 44 -5.364 3.437 -2.578 1.00 22.21 N ATOM 638 CA SER A 44 -6.252 2.464 -1.970 1.00 71.13 C ATOM 639 C SER A 44 -7.175 1.800 -3.009 1.00 41.24 C ATOM 640 O SER A 44 -7.492 2.411 -4.028 1.00 41.30 O ATOM 641 CB SER A 44 -7.008 3.206 -0.870 1.00 71.20 C ATOM 642 OG SER A 44 -6.108 3.632 0.137 1.00 54.11 O ATOM 0 H SER A 44 -5.626 4.407 -2.404 1.00 22.21 H new ATOM 0 HA SER A 44 -5.697 1.630 -1.541 1.00 71.13 H new ATOM 0 HB2 SER A 44 -7.528 4.066 -1.292 1.00 71.20 H new ATOM 0 HB3 SER A 44 -7.768 2.555 -0.438 1.00 71.20 H new ATOM 0 HG SER A 44 -5.789 2.854 0.641 1.00 54.11 H new ATOM 647 N PRO A 45 -7.695 0.586 -2.747 1.00 15.03 N ATOM 648 CA PRO A 45 -8.493 -0.179 -3.710 1.00 64.42 C ATOM 649 C PRO A 45 -9.838 0.454 -4.085 1.00 20.32 C ATOM 650 O PRO A 45 -10.519 -0.033 -4.989 1.00 73.33 O ATOM 651 CB PRO A 45 -8.691 -1.558 -3.078 1.00 34.51 C ATOM 652 CG PRO A 45 -8.401 -1.373 -1.593 1.00 4.35 C ATOM 653 CD PRO A 45 -7.420 -0.207 -1.562 1.00 42.21 C ATOM 0 HA PRO A 45 -7.961 -0.217 -4.660 1.00 64.42 H new ATOM 0 HB2 PRO A 45 -9.707 -1.920 -3.237 1.00 34.51 H new ATOM 0 HB3 PRO A 45 -8.018 -2.292 -3.520 1.00 34.51 H new ATOM 0 HG2 PRO A 45 -9.308 -1.149 -1.032 1.00 4.35 H new ATOM 0 HG3 PRO A 45 -7.969 -2.272 -1.154 1.00 4.35 H new ATOM 0 HD2 PRO A 45 -7.550 0.387 -0.657 1.00 42.21 H new ATOM 0 HD3 PRO A 45 -6.390 -0.565 -1.563 1.00 42.21 H new ATOM 658 N SER A 46 -10.233 1.520 -3.397 1.00 73.13 N ATOM 659 CA SER A 46 -11.419 2.325 -3.673 1.00 13.02 C ATOM 660 C SER A 46 -11.107 3.574 -4.513 1.00 22.42 C ATOM 661 O SER A 46 -11.975 4.422 -4.718 1.00 4.14 O ATOM 662 CB SER A 46 -12.102 2.623 -2.327 1.00 61.11 C ATOM 663 OG SER A 46 -13.437 2.156 -2.277 1.00 31.32 O ATOM 0 H SER A 46 -9.709 1.863 -2.592 1.00 73.13 H new ATOM 0 HA SER A 46 -12.115 1.771 -4.303 1.00 13.02 H new ATOM 0 HB2 SER A 46 -11.529 2.160 -1.523 1.00 61.11 H new ATOM 0 HB3 SER A 46 -12.091 3.698 -2.149 1.00 61.11 H new ATOM 0 HG SER A 46 -13.825 2.368 -1.402 1.00 31.32 H new ATOM 777 N VAL A 56 -8.729 10.083 -6.094 1.00 21.22 N ATOM 778 CA VAL A 56 -8.456 11.415 -5.549 1.00 61.31 C ATOM 779 C VAL A 56 -6.943 11.670 -5.589 1.00 3.42 C ATOM 780 O VAL A 56 -6.156 10.720 -5.525 1.00 41.44 O ATOM 781 CB VAL A 56 -9.085 11.617 -4.154 1.00 44.33 C ATOM 782 CG1 VAL A 56 -8.840 10.413 -3.262 1.00 72.21 C ATOM 783 CG2 VAL A 56 -8.597 12.867 -3.403 1.00 40.25 C ATOM 0 HA VAL A 56 -8.938 12.169 -6.171 1.00 61.31 H new ATOM 0 HB VAL A 56 -10.147 11.750 -4.360 1.00 44.33 H new ATOM 0 HG11 VAL A 56 -9.295 10.585 -2.286 1.00 72.21 H new ATOM 0 HG12 VAL A 56 -9.282 9.527 -3.717 1.00 72.21 H new ATOM 0 HG13 VAL A 56 -7.767 10.262 -3.141 1.00 72.21 H new ATOM 0 HG21 VAL A 56 -9.093 12.926 -2.434 1.00 40.25 H new ATOM 0 HG22 VAL A 56 -7.519 12.805 -3.256 1.00 40.25 H new ATOM 0 HG23 VAL A 56 -8.833 13.757 -3.986 1.00 40.25 H new ATOM 793 N LEU A 57 -6.514 12.935 -5.686 1.00 15.10 N ATOM 794 CA LEU A 57 -5.122 13.342 -5.490 1.00 22.34 C ATOM 795 C LEU A 57 -4.859 13.434 -3.989 1.00 62.52 C ATOM 796 O LEU A 57 -5.386 14.336 -3.329 1.00 63.51 O ATOM 797 CB LEU A 57 -4.837 14.675 -6.208 1.00 53.11 C ATOM 798 CG LEU A 57 -3.353 14.962 -6.518 1.00 23.50 C ATOM 799 CD1 LEU A 57 -2.439 15.165 -5.301 1.00 40.41 C ATOM 800 CD2 LEU A 57 -2.738 13.893 -7.428 1.00 3.42 C ATOM 0 H LEU A 57 -7.135 13.713 -5.906 1.00 15.10 H new ATOM 0 HA LEU A 57 -4.447 12.606 -5.926 1.00 22.34 H new ATOM 0 HB2 LEU A 57 -5.394 14.689 -7.145 1.00 53.11 H new ATOM 0 HB3 LEU A 57 -5.225 15.488 -5.594 1.00 53.11 H new ATOM 0 HG LEU A 57 -3.397 15.923 -7.030 1.00 23.50 H new ATOM 0 HD11 LEU A 57 -1.421 15.359 -5.639 1.00 40.41 H new ATOM 0 HD12 LEU A 57 -2.795 16.013 -4.716 1.00 40.41 H new ATOM 0 HD13 LEU A 57 -2.451 14.267 -4.683 1.00 40.41 H new ATOM 0 HD21 LEU A 57 -1.693 14.136 -7.620 1.00 3.42 H new ATOM 0 HD22 LEU A 57 -2.801 12.920 -6.941 1.00 3.42 H new ATOM 0 HD23 LEU A 57 -3.282 13.862 -8.372 1.00 3.42 H new ATOM 811 N VAL A 58 -4.092 12.489 -3.445 1.00 4.21 N ATOM 812 CA VAL A 58 -3.796 12.383 -2.015 1.00 41.24 C ATOM 813 C VAL A 58 -2.396 12.951 -1.748 1.00 64.42 C ATOM 814 O VAL A 58 -1.553 13.035 -2.641 1.00 52.31 O ATOM 815 CB VAL A 58 -3.946 10.921 -1.529 1.00 44.14 C ATOM 816 CG1 VAL A 58 -4.013 10.809 0.008 1.00 20.30 C ATOM 817 CG2 VAL A 58 -5.226 10.267 -2.058 1.00 74.25 C ATOM 0 H VAL A 58 -3.648 11.757 -4.000 1.00 4.21 H new ATOM 0 HA VAL A 58 -4.514 12.971 -1.443 1.00 41.24 H new ATOM 0 HB VAL A 58 -3.059 10.416 -1.911 1.00 44.14 H new ATOM 0 HG11 VAL A 58 -4.118 9.762 0.292 1.00 20.30 H new ATOM 0 HG12 VAL A 58 -3.099 11.213 0.442 1.00 20.30 H new ATOM 0 HG13 VAL A 58 -4.870 11.373 0.377 1.00 20.30 H new ATOM 0 HG21 VAL A 58 -5.289 9.242 -1.692 1.00 74.25 H new ATOM 0 HG22 VAL A 58 -6.092 10.830 -1.712 1.00 74.25 H new ATOM 0 HG23 VAL A 58 -5.209 10.262 -3.148 1.00 74.25 H new ATOM 827 N THR A 59 -2.165 13.362 -0.508 1.00 1.20 N ATOM 828 CA THR A 59 -0.954 14.026 -0.043 1.00 34.24 C ATOM 829 C THR A 59 0.086 13.017 0.464 1.00 12.12 C ATOM 830 O THR A 59 -0.179 11.810 0.517 1.00 43.13 O ATOM 831 CB THR A 59 -1.376 15.037 1.038 1.00 40.35 C ATOM 832 OG1 THR A 59 -2.261 14.467 1.987 1.00 63.34 O ATOM 833 CG2 THR A 59 -2.082 16.218 0.369 1.00 4.41 C ATOM 0 H THR A 59 -2.850 13.235 0.237 1.00 1.20 H new ATOM 0 HA THR A 59 -0.463 14.550 -0.863 1.00 34.24 H new ATOM 0 HB THR A 59 -0.474 15.356 1.560 1.00 40.35 H new ATOM 0 HG1 THR A 59 -2.502 15.142 2.656 1.00 63.34 H new ATOM 0 HG21 THR A 59 -2.384 16.939 1.129 1.00 4.41 H new ATOM 0 HG22 THR A 59 -1.402 16.697 -0.336 1.00 4.41 H new ATOM 0 HG23 THR A 59 -2.964 15.861 -0.163 1.00 4.41 H new ATOM 841 N HIS A 60 1.270 13.506 0.857 1.00 64.24 N ATOM 842 CA HIS A 60 2.207 12.718 1.660 1.00 14.43 C ATOM 843 C HIS A 60 1.537 12.353 2.997 1.00 2.10 C ATOM 844 O HIS A 60 0.616 13.043 3.439 1.00 2.04 O ATOM 845 CB HIS A 60 3.504 13.491 1.926 1.00 64.44 C ATOM 846 CG HIS A 60 4.277 14.023 0.753 1.00 31.33 C ATOM 847 ND1 HIS A 60 5.247 14.986 0.867 1.00 31.54 N ATOM 848 CD2 HIS A 60 4.159 13.697 -0.569 1.00 12.01 C ATOM 849 CE1 HIS A 60 5.709 15.244 -0.363 1.00 33.52 C ATOM 850 NE2 HIS A 60 5.088 14.472 -1.276 1.00 13.41 N ATOM 0 H HIS A 60 1.599 14.444 0.630 1.00 64.24 H new ATOM 0 HA HIS A 60 2.464 11.815 1.106 1.00 14.43 H new ATOM 0 HB2 HIS A 60 3.260 14.335 2.572 1.00 64.44 H new ATOM 0 HB3 HIS A 60 4.169 12.838 2.492 1.00 64.44 H new ATOM 0 HD1 HIS A 60 5.560 15.426 1.732 1.00 31.54 H new ATOM 0 HD2 HIS A 60 3.476 12.975 -0.991 1.00 12.01 H new ATOM 0 HE1 HIS A 60 6.474 15.971 -0.592 1.00 33.52 H new ATOM 857 N LYS A 61 2.016 11.315 3.684 1.00 53.21 N ATOM 858 CA LYS A 61 1.513 10.859 4.977 1.00 2.40 C ATOM 859 C LYS A 61 2.738 10.745 5.877 1.00 14.42 C ATOM 860 O LYS A 61 3.682 10.043 5.551 1.00 34.24 O ATOM 861 CB LYS A 61 0.784 9.507 4.831 1.00 2.15 C ATOM 862 CG LYS A 61 -0.755 9.570 4.888 1.00 40.35 C ATOM 863 CD LYS A 61 -1.425 10.383 3.765 1.00 1.04 C ATOM 864 CE LYS A 61 -1.867 11.782 4.223 1.00 55.11 C ATOM 865 NZ LYS A 61 -3.231 11.806 4.799 1.00 62.52 N ATOM 0 H LYS A 61 2.793 10.750 3.341 1.00 53.21 H new ATOM 0 HA LYS A 61 0.783 11.550 5.398 1.00 2.40 H new ATOM 0 HB2 LYS A 61 1.076 9.058 3.882 1.00 2.15 H new ATOM 0 HB3 LYS A 61 1.132 8.840 5.620 1.00 2.15 H new ATOM 0 HG2 LYS A 61 -1.145 8.552 4.859 1.00 40.35 H new ATOM 0 HG3 LYS A 61 -1.049 9.996 5.847 1.00 40.35 H new ATOM 0 HD2 LYS A 61 -0.731 10.482 2.931 1.00 1.04 H new ATOM 0 HD3 LYS A 61 -2.292 9.836 3.395 1.00 1.04 H new ATOM 0 HE2 LYS A 61 -1.160 12.154 4.965 1.00 55.11 H new ATOM 0 HE3 LYS A 61 -1.827 12.464 3.374 1.00 55.11 H new ATOM 0 HZ1 LYS A 61 -3.469 12.776 5.088 1.00 62.52 H new ATOM 0 HZ2 LYS A 61 -3.915 11.480 4.086 1.00 62.52 H new ATOM 0 HZ3 LYS A 61 -3.269 11.179 5.628 1.00 62.52 H new ATOM 875 N LYS A 62 2.679 11.465 6.994 1.00 14.42 N ATOM 876 CA LYS A 62 3.749 11.734 7.944 1.00 44.21 C ATOM 877 C LYS A 62 4.579 10.499 8.304 1.00 71.11 C ATOM 878 O LYS A 62 5.708 10.385 7.835 1.00 44.24 O ATOM 879 CB LYS A 62 3.208 12.500 9.174 1.00 34.11 C ATOM 880 CG LYS A 62 1.775 12.112 9.604 1.00 4.23 C ATOM 881 CD LYS A 62 0.698 13.002 8.945 1.00 71.44 C ATOM 882 CE LYS A 62 -0.606 12.260 8.613 1.00 51.03 C ATOM 883 NZ LYS A 62 -1.236 11.645 9.801 1.00 3.02 N ATOM 0 H LYS A 62 1.808 11.912 7.279 1.00 14.42 H new ATOM 0 HA LYS A 62 4.464 12.388 7.446 1.00 44.21 H new ATOM 0 HB2 LYS A 62 3.882 12.331 10.014 1.00 34.11 H new ATOM 0 HB3 LYS A 62 3.230 13.568 8.957 1.00 34.11 H new ATOM 0 HG2 LYS A 62 1.590 11.070 9.343 1.00 4.23 H new ATOM 0 HG3 LYS A 62 1.691 12.188 10.688 1.00 4.23 H new ATOM 0 HD2 LYS A 62 0.471 13.834 9.611 1.00 71.44 H new ATOM 0 HD3 LYS A 62 1.105 13.429 8.028 1.00 71.44 H new ATOM 0 HE2 LYS A 62 -1.308 12.957 8.155 1.00 51.03 H new ATOM 0 HE3 LYS A 62 -0.399 11.485 7.875 1.00 51.03 H new ATOM 0 HZ1 LYS A 62 -2.223 11.399 9.583 1.00 3.02 H new ATOM 0 HZ2 LYS A 62 -0.715 10.784 10.064 1.00 3.02 H new ATOM 0 HZ3 LYS A 62 -1.214 12.318 10.593 1.00 3.02 H new ATOM 893 N ASN A 63 4.079 9.637 9.195 1.00 44.23 N ATOM 894 CA ASN A 63 4.790 8.467 9.718 1.00 72.10 C ATOM 895 C ASN A 63 3.730 7.460 10.159 1.00 61.50 C ATOM 896 O ASN A 63 3.350 7.420 11.329 1.00 31.44 O ATOM 897 CB ASN A 63 5.716 8.841 10.897 1.00 51.11 C ATOM 898 CG ASN A 63 7.134 9.149 10.447 1.00 1.25 C ATOM 899 OD1 ASN A 63 7.942 8.238 10.286 1.00 32.34 O ATOM 900 ND2 ASN A 63 7.482 10.413 10.277 1.00 4.14 N ATOM 0 H ASN A 63 3.141 9.737 9.583 1.00 44.23 H new ATOM 0 HA ASN A 63 5.434 8.044 8.947 1.00 72.10 H new ATOM 0 HB2 ASN A 63 5.306 9.708 11.416 1.00 51.11 H new ATOM 0 HB3 ASN A 63 5.736 8.020 11.614 1.00 51.11 H new ATOM 0 HD21 ASN A 63 8.437 10.647 10.007 1.00 4.14 H new ATOM 0 HD22 ASN A 63 6.795 11.154 10.416 1.00 4.14 H new ATOM 906 N VAL A 64 3.187 6.693 9.213 1.00 72.11 N ATOM 907 CA VAL A 64 2.130 5.718 9.496 1.00 3.32 C ATOM 908 C VAL A 64 2.766 4.350 9.744 1.00 53.24 C ATOM 909 O VAL A 64 3.738 3.992 9.080 1.00 35.41 O ATOM 910 CB VAL A 64 1.118 5.645 8.333 1.00 22.13 C ATOM 911 CG1 VAL A 64 -0.222 5.061 8.810 1.00 1.01 C ATOM 912 CG2 VAL A 64 0.877 6.993 7.633 1.00 44.04 C ATOM 0 H VAL A 64 3.465 6.729 8.232 1.00 72.11 H new ATOM 0 HA VAL A 64 1.584 6.032 10.386 1.00 3.32 H new ATOM 0 HB VAL A 64 1.571 4.984 7.594 1.00 22.13 H new ATOM 0 HG11 VAL A 64 -0.919 5.019 7.973 1.00 1.01 H new ATOM 0 HG12 VAL A 64 -0.063 4.056 9.200 1.00 1.01 H new ATOM 0 HG13 VAL A 64 -0.635 5.693 9.596 1.00 1.01 H new ATOM 0 HG21 VAL A 64 0.155 6.861 6.828 1.00 44.04 H new ATOM 0 HG22 VAL A 64 0.489 7.713 8.354 1.00 44.04 H new ATOM 0 HG23 VAL A 64 1.816 7.362 7.221 1.00 44.04 H new ATOM 922 N ASN A 65 2.221 3.538 10.646 1.00 53.30 N ATOM 923 CA ASN A 65 2.638 2.153 10.863 1.00 60.10 C ATOM 924 C ASN A 65 1.419 1.232 10.780 1.00 24.21 C ATOM 925 O ASN A 65 0.324 1.662 10.410 1.00 60.21 O ATOM 926 CB ASN A 65 3.450 2.038 12.178 1.00 43.41 C ATOM 927 CG ASN A 65 4.935 2.405 12.057 1.00 22.23 C ATOM 928 OD1 ASN A 65 5.671 2.388 13.032 1.00 32.51 O ATOM 929 ND2 ASN A 65 5.455 2.696 10.878 1.00 22.42 N ATOM 0 H ASN A 65 1.461 3.830 11.260 1.00 53.30 H new ATOM 0 HA ASN A 65 3.317 1.823 10.077 1.00 60.10 H new ATOM 0 HB2 ASN A 65 2.992 2.683 12.928 1.00 43.41 H new ATOM 0 HB3 ASN A 65 3.373 1.015 12.547 1.00 43.41 H new ATOM 0 HD21 ASN A 65 6.451 2.900 10.796 1.00 22.42 H new ATOM 0 HD22 ASN A 65 4.861 2.716 10.049 1.00 22.42 H new ATOM 935 N ILE A 66 1.622 -0.055 11.053 1.00 20.34 N ATOM 936 CA ILE A 66 0.609 -1.097 11.055 1.00 53.43 C ATOM 937 C ILE A 66 0.638 -1.691 12.450 1.00 52.02 C ATOM 938 O ILE A 66 1.694 -2.129 12.917 1.00 22.41 O ATOM 939 CB ILE A 66 0.881 -2.170 9.980 1.00 72.31 C ATOM 940 CG1 ILE A 66 1.040 -1.489 8.599 1.00 2.45 C ATOM 941 CG2 ILE A 66 -0.216 -3.252 10.012 1.00 22.35 C ATOM 942 CD1 ILE A 66 0.853 -2.430 7.410 1.00 73.14 C ATOM 0 H ILE A 66 2.547 -0.413 11.291 1.00 20.34 H new ATOM 0 HA ILE A 66 -0.372 -0.690 10.811 1.00 53.43 H new ATOM 0 HB ILE A 66 1.818 -2.687 10.188 1.00 72.31 H new ATOM 0 HG12 ILE A 66 0.317 -0.677 8.522 1.00 2.45 H new ATOM 0 HG13 ILE A 66 2.032 -1.040 8.540 1.00 2.45 H new ATOM 0 HG21 ILE A 66 -0.010 -4.002 9.248 1.00 22.35 H new ATOM 0 HG22 ILE A 66 -0.229 -3.728 10.993 1.00 22.35 H new ATOM 0 HG23 ILE A 66 -1.185 -2.793 9.818 1.00 22.35 H new ATOM 0 HD11 ILE A 66 0.981 -1.873 6.482 1.00 73.14 H new ATOM 0 HD12 ILE A 66 1.593 -3.229 7.459 1.00 73.14 H new ATOM 0 HD13 ILE A 66 -0.148 -2.860 7.440 1.00 73.14 H new ATOM 953 N ASN A 67 -0.525 -1.695 13.090 1.00 51.42 N ATOM 954 CA ASN A 67 -0.724 -2.290 14.396 1.00 72.10 C ATOM 955 C ASN A 67 -1.027 -3.777 14.284 1.00 15.23 C ATOM 956 O ASN A 67 -0.682 -4.495 15.219 1.00 55.31 O ATOM 957 CB ASN A 67 -1.835 -1.552 15.174 1.00 54.00 C ATOM 958 CG ASN A 67 -1.296 -0.294 15.852 1.00 1.44 C ATOM 959 OD1 ASN A 67 -0.131 -0.237 16.223 1.00 61.11 O ATOM 960 ND2 ASN A 67 -2.074 0.762 15.993 1.00 71.30 N ATOM 0 H ASN A 67 -1.370 -1.275 12.704 1.00 51.42 H new ATOM 0 HA ASN A 67 0.205 -2.185 14.956 1.00 72.10 H new ATOM 0 HB2 ASN A 67 -2.642 -1.283 14.492 1.00 54.00 H new ATOM 0 HB3 ASN A 67 -2.260 -2.218 15.924 1.00 54.00 H new ATOM 0 HD21 ASN A 67 -1.703 1.617 16.408 1.00 71.30 H new ATOM 0 HD22 ASN A 67 -3.046 0.724 15.687 1.00 71.30 H new ATOM 966 N ALA A 68 -1.638 -4.264 13.194 1.00 42.33 N ATOM 967 CA ALA A 68 -2.024 -5.666 13.056 1.00 12.02 C ATOM 968 C ALA A 68 -2.475 -5.965 11.624 1.00 54.41 C ATOM 969 O ALA A 68 -2.663 -5.044 10.825 1.00 21.13 O ATOM 970 CB ALA A 68 -3.176 -5.985 14.016 1.00 4.11 C ATOM 0 H ALA A 68 -1.877 -3.691 12.385 1.00 42.33 H new ATOM 0 HA ALA A 68 -1.157 -6.283 13.294 1.00 12.02 H new ATOM 0 HB1 ALA A 68 -3.460 -7.032 13.909 1.00 4.11 H new ATOM 0 HB2 ALA A 68 -2.857 -5.799 15.042 1.00 4.11 H new ATOM 0 HB3 ALA A 68 -4.031 -5.351 13.781 1.00 4.11 H new ATOM 976 N ILE A 69 -2.690 -7.246 11.331 1.00 71.52 N ATOM 977 CA ILE A 69 -3.157 -7.794 10.063 1.00 61.21 C ATOM 978 C ILE A 69 -4.267 -8.785 10.416 1.00 55.31 C ATOM 979 O ILE A 69 -4.156 -9.492 11.419 1.00 15.35 O ATOM 980 CB ILE A 69 -1.984 -8.502 9.329 1.00 14.12 C ATOM 981 CG1 ILE A 69 -0.792 -7.535 9.121 1.00 20.24 C ATOM 982 CG2 ILE A 69 -2.444 -9.134 7.998 1.00 0.03 C ATOM 983 CD1 ILE A 69 0.362 -8.110 8.296 1.00 32.12 C ATOM 0 H ILE A 69 -2.531 -7.978 12.023 1.00 71.52 H new ATOM 0 HA ILE A 69 -3.529 -7.018 9.394 1.00 61.21 H new ATOM 0 HB ILE A 69 -1.640 -9.317 9.966 1.00 14.12 H new ATOM 0 HG12 ILE A 69 -1.156 -6.632 8.631 1.00 20.24 H new ATOM 0 HG13 ILE A 69 -0.409 -7.236 10.097 1.00 20.24 H new ATOM 0 HG21 ILE A 69 -1.597 -9.620 7.514 1.00 0.03 H new ATOM 0 HG22 ILE A 69 -3.221 -9.872 8.195 1.00 0.03 H new ATOM 0 HG23 ILE A 69 -2.839 -8.357 7.344 1.00 0.03 H new ATOM 0 HD11 ILE A 69 1.150 -7.363 8.203 1.00 32.12 H new ATOM 0 HD12 ILE A 69 0.758 -8.996 8.793 1.00 32.12 H new ATOM 0 HD13 ILE A 69 0.000 -8.381 7.304 1.00 32.12 H new ATOM 994 N THR A 70 -5.286 -8.886 9.565 1.00 20.24 N ATOM 995 CA THR A 70 -6.276 -9.952 9.602 1.00 11.41 C ATOM 996 C THR A 70 -6.537 -10.371 8.161 1.00 62.52 C ATOM 997 O THR A 70 -7.093 -9.579 7.404 1.00 23.45 O ATOM 998 CB THR A 70 -7.555 -9.466 10.309 1.00 62.51 C ATOM 999 OG1 THR A 70 -7.271 -9.271 11.677 1.00 53.12 O ATOM 1000 CG2 THR A 70 -8.705 -10.471 10.234 1.00 32.13 C ATOM 0 H THR A 70 -5.447 -8.213 8.816 1.00 20.24 H new ATOM 0 HA THR A 70 -5.919 -10.810 10.171 1.00 11.41 H new ATOM 0 HB THR A 70 -7.862 -8.551 9.803 1.00 62.51 H new ATOM 0 HG1 THR A 70 -8.078 -8.960 12.138 1.00 53.12 H new ATOM 0 HG21 THR A 70 -9.575 -10.067 10.751 1.00 32.13 H new ATOM 0 HG22 THR A 70 -8.957 -10.658 9.190 1.00 32.13 H new ATOM 0 HG23 THR A 70 -8.403 -11.405 10.707 1.00 32.13 H new ATOM 1008 N PRO A 71 -6.122 -11.575 7.747 1.00 72.31 N ATOM 1009 CA PRO A 71 -6.494 -12.125 6.456 1.00 55.02 C ATOM 1010 C PRO A 71 -7.986 -12.458 6.467 1.00 55.43 C ATOM 1011 O PRO A 71 -8.565 -12.768 7.512 1.00 13.41 O ATOM 1012 CB PRO A 71 -5.602 -13.356 6.285 1.00 33.33 C ATOM 1013 CG PRO A 71 -5.387 -13.832 7.725 1.00 71.30 C ATOM 1014 CD PRO A 71 -5.426 -12.563 8.551 1.00 53.21 C ATOM 0 HA PRO A 71 -6.349 -11.440 5.621 1.00 55.02 H new ATOM 0 HB2 PRO A 71 -6.083 -14.121 5.675 1.00 33.33 H new ATOM 0 HB3 PRO A 71 -4.659 -13.106 5.798 1.00 33.33 H new ATOM 0 HG2 PRO A 71 -6.165 -14.531 8.033 1.00 71.30 H new ATOM 0 HG3 PRO A 71 -4.433 -14.348 7.835 1.00 71.30 H new ATOM 0 HD2 PRO A 71 -5.943 -12.730 9.496 1.00 53.21 H new ATOM 0 HD3 PRO A 71 -4.418 -12.226 8.794 1.00 53.21 H new ATOM 1019 N VAL A 72 -8.615 -12.358 5.300 1.00 63.21 N ATOM 1020 CA VAL A 72 -10.057 -12.417 5.143 1.00 22.55 C ATOM 1021 C VAL A 72 -10.349 -13.317 3.954 1.00 24.41 C ATOM 1022 O VAL A 72 -9.817 -13.111 2.859 1.00 64.10 O ATOM 1023 CB VAL A 72 -10.635 -10.999 4.964 1.00 71.44 C ATOM 1024 CG1 VAL A 72 -12.162 -11.040 4.845 1.00 64.43 C ATOM 1025 CG2 VAL A 72 -10.276 -10.088 6.146 1.00 44.01 C ATOM 0 H VAL A 72 -8.120 -12.231 4.417 1.00 63.21 H new ATOM 0 HA VAL A 72 -10.536 -12.830 6.031 1.00 22.55 H new ATOM 0 HB VAL A 72 -10.196 -10.600 4.050 1.00 71.44 H new ATOM 0 HG11 VAL A 72 -12.545 -10.027 4.720 1.00 64.43 H new ATOM 0 HG12 VAL A 72 -12.444 -11.644 3.982 1.00 64.43 H new ATOM 0 HG13 VAL A 72 -12.586 -11.479 5.748 1.00 64.43 H new ATOM 0 HG21 VAL A 72 -10.701 -9.097 5.984 1.00 44.01 H new ATOM 0 HG22 VAL A 72 -10.680 -10.510 7.066 1.00 44.01 H new ATOM 0 HG23 VAL A 72 -9.192 -10.009 6.228 1.00 44.01 H new ATOM 1035 N GLY A 73 -11.157 -14.349 4.191 1.00 20.41 N ATOM 1036 CA GLY A 73 -11.622 -15.324 3.221 1.00 40.33 C ATOM 1037 C GLY A 73 -10.511 -16.054 2.477 1.00 21.51 C ATOM 1038 O GLY A 73 -10.783 -16.676 1.448 1.00 61.40 O ATOM 0 H GLY A 73 -11.524 -14.533 5.125 1.00 20.41 H new ATOM 0 HA2 GLY A 73 -12.243 -16.059 3.733 1.00 40.33 H new ATOM 0 HA3 GLY A 73 -12.258 -14.820 2.494 1.00 40.33 H new ATOM 1042 N ASN A 74 -9.278 -16.001 2.992 1.00 42.40 N ATOM 1043 CA ASN A 74 -8.031 -16.464 2.387 1.00 14.12 C ATOM 1044 C ASN A 74 -7.582 -15.587 1.202 1.00 12.43 C ATOM 1045 O ASN A 74 -6.548 -15.887 0.600 1.00 42.24 O ATOM 1046 CB ASN A 74 -8.079 -17.947 1.964 1.00 20.11 C ATOM 1047 CG ASN A 74 -8.809 -18.892 2.910 1.00 12.04 C ATOM 1048 OD1 ASN A 74 -8.296 -19.323 3.938 1.00 73.30 O ATOM 1049 ND2 ASN A 74 -10.012 -19.298 2.541 1.00 2.04 N ATOM 0 H ASN A 74 -9.117 -15.601 3.916 1.00 42.40 H new ATOM 0 HA ASN A 74 -7.286 -16.369 3.177 1.00 14.12 H new ATOM 0 HB2 ASN A 74 -8.553 -18.009 0.984 1.00 20.11 H new ATOM 0 HB3 ASN A 74 -7.056 -18.303 1.846 1.00 20.11 H new ATOM 0 HD21 ASN A 74 -10.520 -19.974 3.112 1.00 2.04 H new ATOM 0 HD22 ASN A 74 -10.432 -18.936 1.685 1.00 2.04 H new ATOM 1055 N TYR A 75 -8.309 -14.518 0.849 1.00 74.24 N ATOM 1056 CA TYR A 75 -8.154 -13.794 -0.416 1.00 12.24 C ATOM 1057 C TYR A 75 -7.634 -12.351 -0.270 1.00 33.13 C ATOM 1058 O TYR A 75 -7.301 -11.741 -1.293 1.00 2.44 O ATOM 1059 CB TYR A 75 -9.451 -13.877 -1.246 1.00 35.15 C ATOM 1060 CG TYR A 75 -10.770 -13.594 -0.537 1.00 53.14 C ATOM 1061 CD1 TYR A 75 -11.030 -12.338 0.042 1.00 41.33 C ATOM 1062 CD2 TYR A 75 -11.764 -14.589 -0.500 1.00 3.24 C ATOM 1063 CE1 TYR A 75 -12.249 -12.095 0.700 1.00 12.13 C ATOM 1064 CE2 TYR A 75 -12.982 -14.365 0.167 1.00 43.12 C ATOM 1065 CZ TYR A 75 -13.217 -13.117 0.786 1.00 12.23 C ATOM 1066 OH TYR A 75 -14.375 -12.895 1.462 1.00 54.40 O ATOM 0 H TYR A 75 -9.035 -14.126 1.448 1.00 74.24 H new ATOM 0 HA TYR A 75 -7.359 -14.301 -0.963 1.00 12.24 H new ATOM 0 HB2 TYR A 75 -9.361 -13.178 -2.077 1.00 35.15 H new ATOM 0 HB3 TYR A 75 -9.510 -14.877 -1.675 1.00 35.15 H new ATOM 0 HD1 TYR A 75 -10.288 -11.555 -0.019 1.00 41.33 H new ATOM 0 HD2 TYR A 75 -11.590 -15.536 -0.989 1.00 3.24 H new ATOM 0 HE1 TYR A 75 -12.443 -11.127 1.139 1.00 12.13 H new ATOM 0 HE2 TYR A 75 -13.732 -15.141 0.206 1.00 43.12 H new ATOM 0 HH TYR A 75 -14.934 -13.699 1.426 1.00 54.40 H new ATOM 1075 N ALA A 76 -7.563 -11.789 0.944 1.00 32.43 N ATOM 1076 CA ALA A 76 -7.230 -10.382 1.197 1.00 34.12 C ATOM 1077 C ALA A 76 -6.859 -10.140 2.666 1.00 35.53 C ATOM 1078 O ALA A 76 -6.858 -11.114 3.428 1.00 71.31 O ATOM 1079 CB ALA A 76 -8.473 -9.570 0.865 1.00 13.33 C ATOM 0 H ALA A 76 -7.740 -12.315 1.800 1.00 32.43 H new ATOM 0 HA ALA A 76 -6.371 -10.096 0.590 1.00 34.12 H new ATOM 0 HB1 ALA A 76 -8.274 -8.512 1.038 1.00 13.33 H new ATOM 0 HB2 ALA A 76 -8.739 -9.723 -0.181 1.00 13.33 H new ATOM 0 HB3 ALA A 76 -9.298 -9.892 1.500 1.00 13.33 H new ATOM 1085 N VAL A 77 -6.609 -8.891 3.090 1.00 12.25 N ATOM 1086 CA VAL A 77 -6.134 -8.510 4.438 1.00 64.51 C ATOM 1087 C VAL A 77 -6.675 -7.162 4.938 1.00 24.51 C ATOM 1088 O VAL A 77 -6.343 -6.079 4.458 1.00 33.52 O ATOM 1089 CB VAL A 77 -4.596 -8.472 4.534 1.00 12.11 C ATOM 1090 CG1 VAL A 77 -4.005 -9.876 4.675 1.00 34.25 C ATOM 1091 CG2 VAL A 77 -3.945 -7.741 3.356 1.00 34.31 C ATOM 0 H VAL A 77 -6.736 -8.083 2.481 1.00 12.25 H new ATOM 0 HA VAL A 77 -6.531 -9.298 5.078 1.00 64.51 H new ATOM 0 HB VAL A 77 -4.368 -7.904 5.436 1.00 12.11 H new ATOM 0 HG11 VAL A 77 -2.919 -9.809 4.740 1.00 34.25 H new ATOM 0 HG12 VAL A 77 -4.394 -10.345 5.578 1.00 34.25 H new ATOM 0 HG13 VAL A 77 -4.280 -10.475 3.807 1.00 34.25 H new ATOM 0 HG21 VAL A 77 -2.862 -7.746 3.478 1.00 34.31 H new ATOM 0 HG22 VAL A 77 -4.208 -8.244 2.425 1.00 34.31 H new ATOM 0 HG23 VAL A 77 -4.302 -6.711 3.325 1.00 34.31 H new ATOM 1101 N LYS A 78 -7.454 -7.198 6.006 1.00 52.24 N ATOM 1102 CA LYS A 78 -7.601 -6.016 6.841 1.00 53.32 C ATOM 1103 C LYS A 78 -6.226 -5.722 7.445 1.00 24.33 C ATOM 1104 O LYS A 78 -5.519 -6.648 7.850 1.00 20.53 O ATOM 1105 CB LYS A 78 -8.696 -6.255 7.884 1.00 64.52 C ATOM 1106 CG LYS A 78 -10.015 -5.601 7.443 1.00 73.30 C ATOM 1107 CD LYS A 78 -11.183 -5.996 8.360 1.00 63.21 C ATOM 1108 CE LYS A 78 -12.092 -7.036 7.691 1.00 4.43 C ATOM 1109 NZ LYS A 78 -13.305 -6.429 7.097 1.00 31.15 N ATOM 0 H LYS A 78 -7.985 -8.014 6.312 1.00 52.24 H new ATOM 0 HA LYS A 78 -7.921 -5.141 6.275 1.00 53.32 H new ATOM 0 HB2 LYS A 78 -8.844 -7.326 8.025 1.00 64.52 H new ATOM 0 HB3 LYS A 78 -8.385 -5.847 8.846 1.00 64.52 H new ATOM 0 HG2 LYS A 78 -9.902 -4.517 7.445 1.00 73.30 H new ATOM 0 HG3 LYS A 78 -10.242 -5.895 6.418 1.00 73.30 H new ATOM 0 HD2 LYS A 78 -10.794 -6.399 9.295 1.00 63.21 H new ATOM 0 HD3 LYS A 78 -11.765 -5.110 8.612 1.00 63.21 H new ATOM 0 HE2 LYS A 78 -11.532 -7.557 6.914 1.00 4.43 H new ATOM 0 HE3 LYS A 78 -12.387 -7.784 8.427 1.00 4.43 H new ATOM 0 HZ1 LYS A 78 -13.886 -7.172 6.658 1.00 31.15 H new ATOM 0 HZ2 LYS A 78 -13.855 -5.954 7.841 1.00 31.15 H new ATOM 0 HZ3 LYS A 78 -13.027 -5.734 6.375 1.00 31.15 H new ATOM 1119 N LEU A 79 -5.841 -4.449 7.494 1.00 73.12 N ATOM 1120 CA LEU A 79 -4.573 -3.969 8.035 1.00 3.02 C ATOM 1121 C LEU A 79 -4.945 -2.831 8.973 1.00 20.25 C ATOM 1122 O LEU A 79 -5.606 -1.882 8.554 1.00 60.11 O ATOM 1123 CB LEU A 79 -3.618 -3.439 6.941 1.00 35.55 C ATOM 1124 CG LEU A 79 -3.177 -4.406 5.828 1.00 44.32 C ATOM 1125 CD1 LEU A 79 -2.426 -3.630 4.736 1.00 33.51 C ATOM 1126 CD2 LEU A 79 -2.279 -5.518 6.374 1.00 55.43 C ATOM 0 H LEU A 79 -6.429 -3.693 7.143 1.00 73.12 H new ATOM 0 HA LEU A 79 -4.043 -4.784 8.528 1.00 3.02 H new ATOM 0 HB2 LEU A 79 -4.098 -2.583 6.467 1.00 35.55 H new ATOM 0 HB3 LEU A 79 -2.720 -3.068 7.435 1.00 35.55 H new ATOM 0 HG LEU A 79 -4.072 -4.867 5.410 1.00 44.32 H new ATOM 0 HD11 LEU A 79 -2.115 -4.318 3.949 1.00 33.51 H new ATOM 0 HD12 LEU A 79 -3.082 -2.869 4.314 1.00 33.51 H new ATOM 0 HD13 LEU A 79 -1.547 -3.152 5.168 1.00 33.51 H new ATOM 0 HD21 LEU A 79 -1.987 -6.182 5.561 1.00 55.43 H new ATOM 0 HD22 LEU A 79 -1.388 -5.079 6.822 1.00 55.43 H new ATOM 0 HD23 LEU A 79 -2.822 -6.086 7.129 1.00 55.43 H new ATOM 1137 N VAL A 80 -4.577 -2.909 10.243 1.00 53.02 N ATOM 1138 CA VAL A 80 -4.896 -1.866 11.210 1.00 74.54 C ATOM 1139 C VAL A 80 -3.832 -0.780 11.033 1.00 11.32 C ATOM 1140 O VAL A 80 -2.676 -1.008 11.385 1.00 72.14 O ATOM 1141 CB VAL A 80 -4.977 -2.486 12.621 1.00 71.33 C ATOM 1142 CG1 VAL A 80 -5.429 -1.456 13.662 1.00 4.04 C ATOM 1143 CG2 VAL A 80 -5.959 -3.674 12.654 1.00 23.13 C ATOM 0 H VAL A 80 -4.052 -3.692 10.632 1.00 53.02 H new ATOM 0 HA VAL A 80 -5.871 -1.404 11.057 1.00 74.54 H new ATOM 0 HB VAL A 80 -3.973 -2.832 12.865 1.00 71.33 H new ATOM 0 HG11 VAL A 80 -5.475 -1.927 14.644 1.00 4.04 H new ATOM 0 HG12 VAL A 80 -4.718 -0.630 13.689 1.00 4.04 H new ATOM 0 HG13 VAL A 80 -6.416 -1.077 13.395 1.00 4.04 H new ATOM 0 HG21 VAL A 80 -5.994 -4.089 13.661 1.00 23.13 H new ATOM 0 HG22 VAL A 80 -6.954 -3.332 12.368 1.00 23.13 H new ATOM 0 HG23 VAL A 80 -5.625 -4.442 11.956 1.00 23.13 H new ATOM 1153 N PHE A 81 -4.141 0.345 10.373 1.00 43.00 N ATOM 1154 CA PHE A 81 -3.187 1.448 10.229 1.00 52.42 C ATOM 1155 C PHE A 81 -3.128 2.179 11.567 1.00 42.22 C ATOM 1156 O PHE A 81 -4.156 2.579 12.115 1.00 35.44 O ATOM 1157 CB PHE A 81 -3.589 2.443 9.122 1.00 3.33 C ATOM 1158 CG PHE A 81 -3.513 1.999 7.663 1.00 64.51 C ATOM 1159 CD1 PHE A 81 -4.194 0.862 7.183 1.00 0.42 C ATOM 1160 CD2 PHE A 81 -2.774 2.766 6.745 1.00 35.25 C ATOM 1161 CE1 PHE A 81 -4.038 0.437 5.849 1.00 75.14 C ATOM 1162 CE2 PHE A 81 -2.636 2.358 5.406 1.00 3.25 C ATOM 1163 CZ PHE A 81 -3.238 1.176 4.961 1.00 23.45 C ATOM 0 H PHE A 81 -5.045 0.513 9.931 1.00 43.00 H new ATOM 0 HA PHE A 81 -2.219 1.036 9.944 1.00 52.42 H new ATOM 0 HB2 PHE A 81 -4.615 2.756 9.318 1.00 3.33 H new ATOM 0 HB3 PHE A 81 -2.960 3.327 9.230 1.00 3.33 H new ATOM 0 HD1 PHE A 81 -4.843 0.310 7.846 1.00 0.42 H new ATOM 0 HD2 PHE A 81 -2.305 3.682 7.073 1.00 35.25 H new ATOM 0 HE1 PHE A 81 -4.535 -0.459 5.508 1.00 75.14 H new ATOM 0 HE2 PHE A 81 -2.062 2.961 4.718 1.00 3.25 H new ATOM 0 HZ PHE A 81 -3.090 0.836 3.947 1.00 23.45 H new ATOM 1172 N ASP A 82 -1.916 2.372 12.071 1.00 32.44 N ATOM 1173 CA ASP A 82 -1.631 2.973 13.371 1.00 55.12 C ATOM 1174 C ASP A 82 -1.831 4.492 13.376 1.00 21.25 C ATOM 1175 O ASP A 82 -1.943 5.103 14.433 1.00 40.24 O ATOM 1176 CB ASP A 82 -0.184 2.626 13.720 1.00 54.23 C ATOM 1177 CG ASP A 82 0.260 3.140 15.086 1.00 4.21 C ATOM 1178 OD1 ASP A 82 -0.521 3.101 16.064 1.00 40.13 O ATOM 1179 OD2 ASP A 82 1.453 3.456 15.239 1.00 64.34 O ATOM 0 H ASP A 82 -1.070 2.104 11.567 1.00 32.44 H new ATOM 0 HA ASP A 82 -2.328 2.577 14.110 1.00 55.12 H new ATOM 0 HB2 ASP A 82 -0.063 1.543 13.693 1.00 54.23 H new ATOM 0 HB3 ASP A 82 0.474 3.039 12.955 1.00 54.23 H new ATOM 1183 N ASP A 83 -1.907 5.124 12.206 1.00 73.44 N ATOM 1184 CA ASP A 83 -2.054 6.576 12.058 1.00 62.50 C ATOM 1185 C ASP A 83 -2.892 6.809 10.807 1.00 75.50 C ATOM 1186 O ASP A 83 -2.533 7.567 9.905 1.00 71.22 O ATOM 1187 CB ASP A 83 -0.677 7.273 12.035 1.00 54.42 C ATOM 1188 CG ASP A 83 -0.772 8.796 11.989 1.00 62.20 C ATOM 1189 OD1 ASP A 83 -1.397 9.383 12.903 1.00 11.11 O ATOM 1190 OD2 ASP A 83 -0.230 9.460 11.081 1.00 20.22 O ATOM 0 H ASP A 83 -1.867 4.632 11.313 1.00 73.44 H new ATOM 0 HA ASP A 83 -2.567 7.023 12.910 1.00 62.50 H new ATOM 0 HB2 ASP A 83 -0.113 6.978 12.920 1.00 54.42 H new ATOM 0 HB3 ASP A 83 -0.116 6.925 11.168 1.00 54.42 H new ATOM 1194 N GLY A 84 -3.981 6.048 10.692 1.00 60.52 N ATOM 1195 CA GLY A 84 -4.878 6.049 9.553 1.00 33.35 C ATOM 1196 C GLY A 84 -6.243 5.593 10.032 1.00 2.13 C ATOM 1197 O GLY A 84 -6.945 6.381 10.666 1.00 74.30 O ATOM 0 H GLY A 84 -4.266 5.393 11.420 1.00 60.52 H new ATOM 0 HA2 GLY A 84 -4.940 7.046 9.118 1.00 33.35 H new ATOM 0 HA3 GLY A 84 -4.506 5.384 8.774 1.00 33.35 H new ATOM 1201 N HIS A 85 -6.614 4.358 9.716 1.00 12.15 N ATOM 1202 CA HIS A 85 -7.806 3.629 10.149 1.00 52.34 C ATOM 1203 C HIS A 85 -7.650 2.191 9.638 1.00 0.21 C ATOM 1204 O HIS A 85 -6.777 1.922 8.807 1.00 62.31 O ATOM 1205 CB HIS A 85 -9.085 4.260 9.566 1.00 11.24 C ATOM 1206 CG HIS A 85 -10.376 3.915 10.271 1.00 44.41 C ATOM 1207 ND1 HIS A 85 -10.534 3.470 11.567 1.00 52.40 N ATOM 1208 CD2 HIS A 85 -11.626 4.103 9.751 1.00 32.33 C ATOM 1209 CE1 HIS A 85 -11.853 3.393 11.813 1.00 55.24 C ATOM 1210 NE2 HIS A 85 -12.563 3.805 10.745 1.00 61.31 N ATOM 0 H HIS A 85 -6.039 3.788 9.095 1.00 12.15 H new ATOM 0 HA HIS A 85 -7.899 3.661 11.235 1.00 52.34 H new ATOM 0 HB2 HIS A 85 -8.968 5.344 9.575 1.00 11.24 H new ATOM 0 HB3 HIS A 85 -9.172 3.957 8.522 1.00 11.24 H new ATOM 0 HD2 HIS A 85 -11.851 4.426 8.745 1.00 32.33 H new ATOM 0 HE1 HIS A 85 -12.285 3.048 12.741 1.00 55.24 H new ATOM 0 HE2 HIS A 85 -13.578 3.884 10.676 1.00 61.31 H new ATOM 1217 N ASP A 86 -8.503 1.267 10.059 1.00 74.41 N ATOM 1218 CA ASP A 86 -8.420 -0.158 9.733 1.00 72.50 C ATOM 1219 C ASP A 86 -9.310 -0.558 8.543 1.00 24.13 C ATOM 1220 O ASP A 86 -9.671 -1.730 8.388 1.00 34.31 O ATOM 1221 CB ASP A 86 -8.686 -0.983 10.999 1.00 72.53 C ATOM 1222 CG ASP A 86 -10.140 -1.001 11.471 1.00 2.23 C ATOM 1223 OD1 ASP A 86 -10.977 -0.212 10.990 1.00 24.54 O ATOM 1224 OD2 ASP A 86 -10.424 -1.789 12.407 1.00 20.31 O ATOM 0 H ASP A 86 -9.299 1.492 10.656 1.00 74.41 H new ATOM 0 HA ASP A 86 -7.409 -0.378 9.390 1.00 72.50 H new ATOM 0 HB2 ASP A 86 -8.367 -2.009 10.818 1.00 72.53 H new ATOM 0 HB3 ASP A 86 -8.064 -0.593 11.805 1.00 72.53 H new ATOM 1228 N THR A 87 -9.655 0.414 7.695 1.00 4.33 N ATOM 1229 CA THR A 87 -10.554 0.289 6.557 1.00 13.13 C ATOM 1230 C THR A 87 -9.809 0.084 5.226 1.00 75.22 C ATOM 1231 O THR A 87 -9.488 1.048 4.510 1.00 41.11 O ATOM 1232 CB THR A 87 -11.472 1.522 6.528 1.00 52.22 C ATOM 1233 OG1 THR A 87 -10.729 2.734 6.583 1.00 31.51 O ATOM 1234 CG2 THR A 87 -12.482 1.509 7.676 1.00 44.30 C ATOM 0 H THR A 87 -9.291 1.362 7.794 1.00 4.33 H new ATOM 0 HA THR A 87 -11.156 -0.611 6.679 1.00 13.13 H new ATOM 0 HB THR A 87 -12.010 1.473 5.581 1.00 52.22 H new ATOM 0 HG1 THR A 87 -10.031 2.721 5.895 1.00 31.51 H new ATOM 0 HG21 THR A 87 -13.110 2.398 7.618 1.00 44.30 H new ATOM 0 HG22 THR A 87 -13.106 0.618 7.602 1.00 44.30 H new ATOM 0 HG23 THR A 87 -11.951 1.502 8.628 1.00 44.30 H new ATOM 1242 N GLY A 88 -9.564 -1.172 4.862 1.00 15.11 N ATOM 1243 CA GLY A 88 -8.959 -1.606 3.606 1.00 3.44 C ATOM 1244 C GLY A 88 -8.881 -3.133 3.607 1.00 23.21 C ATOM 1245 O GLY A 88 -9.057 -3.736 4.668 1.00 34.53 O ATOM 0 H GLY A 88 -9.795 -1.958 5.470 1.00 15.11 H new ATOM 0 HA2 GLY A 88 -9.551 -1.258 2.760 1.00 3.44 H new ATOM 0 HA3 GLY A 88 -7.963 -1.176 3.497 1.00 3.44 H new ATOM 1249 N LEU A 89 -8.607 -3.759 2.453 1.00 60.10 N ATOM 1250 CA LEU A 89 -8.447 -5.216 2.357 1.00 41.01 C ATOM 1251 C LEU A 89 -7.211 -5.603 1.531 1.00 74.42 C ATOM 1252 O LEU A 89 -6.553 -6.586 1.785 1.00 74.22 O ATOM 1253 CB LEU A 89 -9.715 -5.851 1.719 1.00 12.25 C ATOM 1254 CG LEU A 89 -10.734 -6.534 2.649 1.00 34.41 C ATOM 1255 CD1 LEU A 89 -10.079 -7.547 3.570 1.00 44.12 C ATOM 1256 CD2 LEU A 89 -11.584 -5.583 3.491 1.00 61.50 C ATOM 0 H LEU A 89 -8.491 -3.272 1.565 1.00 60.10 H new ATOM 0 HA LEU A 89 -8.310 -5.596 3.369 1.00 41.01 H new ATOM 0 HB2 LEU A 89 -10.238 -5.069 1.169 1.00 12.25 H new ATOM 0 HB3 LEU A 89 -9.386 -6.589 0.987 1.00 12.25 H new ATOM 0 HG LEU A 89 -11.409 -7.034 1.954 1.00 34.41 H new ATOM 0 HD11 LEU A 89 -10.837 -8.003 4.207 1.00 44.12 H new ATOM 0 HD12 LEU A 89 -9.593 -8.320 2.974 1.00 44.12 H new ATOM 0 HD13 LEU A 89 -9.336 -7.047 4.191 1.00 44.12 H new ATOM 0 HD21 LEU A 89 -12.269 -6.160 4.111 1.00 61.50 H new ATOM 0 HD22 LEU A 89 -10.935 -4.983 4.129 1.00 61.50 H new ATOM 0 HD23 LEU A 89 -12.155 -4.927 2.834 1.00 61.50 H new ATOM 1267 N TYR A 90 -6.909 -4.856 0.497 1.00 0.43 N ATOM 1268 CA TYR A 90 -5.821 -5.011 -0.468 1.00 62.30 C ATOM 1269 C TYR A 90 -5.689 -6.470 -0.904 1.00 32.54 C ATOM 1270 O TYR A 90 -4.836 -7.218 -0.427 1.00 60.33 O ATOM 1271 CB TYR A 90 -4.505 -4.403 0.039 1.00 54.23 C ATOM 1272 CG TYR A 90 -4.613 -2.958 0.470 1.00 24.34 C ATOM 1273 CD1 TYR A 90 -5.194 -2.673 1.713 1.00 54.23 C ATOM 1274 CD2 TYR A 90 -4.157 -1.907 -0.346 1.00 33.11 C ATOM 1275 CE1 TYR A 90 -5.374 -1.349 2.135 1.00 21.35 C ATOM 1276 CE2 TYR A 90 -4.324 -0.572 0.072 1.00 41.32 C ATOM 1277 CZ TYR A 90 -4.959 -0.291 1.309 1.00 11.12 C ATOM 1278 OH TYR A 90 -5.194 0.981 1.726 1.00 52.40 O ATOM 0 H TYR A 90 -7.473 -4.035 0.278 1.00 0.43 H new ATOM 0 HA TYR A 90 -6.073 -4.438 -1.360 1.00 62.30 H new ATOM 0 HB2 TYR A 90 -4.145 -4.995 0.880 1.00 54.23 H new ATOM 0 HB3 TYR A 90 -3.755 -4.480 -0.749 1.00 54.23 H new ATOM 0 HD1 TYR A 90 -5.507 -3.484 2.354 1.00 54.23 H new ATOM 0 HD2 TYR A 90 -3.680 -2.123 -1.291 1.00 33.11 H new ATOM 0 HE1 TYR A 90 -5.830 -1.143 3.092 1.00 21.35 H new ATOM 0 HE2 TYR A 90 -3.969 0.237 -0.549 1.00 41.32 H new ATOM 0 HH TYR A 90 -4.342 1.456 1.824 1.00 52.40 H new ATOM 1287 N SER A 91 -6.575 -6.877 -1.817 1.00 73.52 N ATOM 1288 CA SER A 91 -6.515 -8.200 -2.420 1.00 60.54 C ATOM 1289 C SER A 91 -5.112 -8.478 -2.944 1.00 75.11 C ATOM 1290 O SER A 91 -4.359 -7.571 -3.310 1.00 42.23 O ATOM 1291 CB SER A 91 -7.569 -8.326 -3.522 1.00 22.13 C ATOM 1292 OG SER A 91 -7.519 -9.568 -4.194 1.00 52.34 O ATOM 0 H SER A 91 -7.346 -6.300 -2.153 1.00 73.52 H new ATOM 0 HA SER A 91 -6.738 -8.951 -1.662 1.00 60.54 H new ATOM 0 HB2 SER A 91 -8.560 -8.194 -3.087 1.00 22.13 H new ATOM 0 HB3 SER A 91 -7.429 -7.522 -4.245 1.00 22.13 H new ATOM 0 HG SER A 91 -8.214 -9.594 -4.885 1.00 52.34 H new ATOM 1297 N TRP A 92 -4.820 -9.767 -3.051 1.00 75.41 N ATOM 1298 CA TRP A 92 -3.558 -10.289 -3.538 1.00 53.31 C ATOM 1299 C TRP A 92 -3.166 -9.643 -4.873 1.00 22.53 C ATOM 1300 O TRP A 92 -1.986 -9.352 -5.074 1.00 54.12 O ATOM 1301 CB TRP A 92 -3.667 -11.814 -3.649 1.00 73.51 C ATOM 1302 CG TRP A 92 -4.069 -12.589 -2.418 1.00 60.54 C ATOM 1303 CD1 TRP A 92 -4.680 -13.798 -2.446 1.00 24.23 C ATOM 1304 CD2 TRP A 92 -3.913 -12.266 -0.992 1.00 14.22 C ATOM 1305 NE1 TRP A 92 -4.915 -14.235 -1.162 1.00 63.10 N ATOM 1306 CE2 TRP A 92 -4.443 -13.349 -0.228 1.00 54.12 C ATOM 1307 CE3 TRP A 92 -3.392 -11.183 -0.246 1.00 14.14 C ATOM 1308 CZ2 TRP A 92 -4.447 -13.367 1.172 1.00 1.01 C ATOM 1309 CZ3 TRP A 92 -3.373 -11.195 1.161 1.00 14.43 C ATOM 1310 CH2 TRP A 92 -3.893 -12.290 1.870 1.00 13.35 C ATOM 0 H TRP A 92 -5.480 -10.500 -2.791 1.00 75.41 H new ATOM 0 HA TRP A 92 -2.763 -10.041 -2.835 1.00 53.31 H new ATOM 0 HB2 TRP A 92 -4.387 -12.041 -4.436 1.00 73.51 H new ATOM 0 HB3 TRP A 92 -2.701 -12.194 -3.982 1.00 73.51 H new ATOM 0 HD1 TRP A 92 -4.944 -14.339 -3.343 1.00 24.23 H new ATOM 0 HE1 TRP A 92 -5.383 -15.112 -0.933 1.00 63.10 H new ATOM 0 HE3 TRP A 92 -2.999 -10.324 -0.770 1.00 14.14 H new ATOM 0 HZ2 TRP A 92 -4.873 -14.203 1.706 1.00 1.01 H new ATOM 0 HZ3 TRP A 92 -2.956 -10.357 1.699 1.00 14.43 H new ATOM 0 HH2 TRP A 92 -3.865 -12.300 2.950 1.00 13.35 H new ATOM 1320 N LYS A 93 -4.140 -9.357 -5.753 1.00 24.42 N ATOM 1321 CA LYS A 93 -3.853 -8.656 -7.002 1.00 22.25 C ATOM 1322 C LYS A 93 -3.366 -7.234 -6.739 1.00 10.25 C ATOM 1323 O LYS A 93 -2.348 -6.848 -7.306 1.00 73.51 O ATOM 1324 CB LYS A 93 -5.064 -8.651 -7.950 1.00 12.14 C ATOM 1325 CG LYS A 93 -4.608 -8.367 -9.395 1.00 45.24 C ATOM 1326 CD LYS A 93 -5.625 -7.624 -10.262 1.00 14.33 C ATOM 1327 CE LYS A 93 -6.958 -8.360 -10.390 1.00 1.44 C ATOM 1328 NZ LYS A 93 -7.811 -7.749 -11.428 1.00 22.55 N ATOM 0 H LYS A 93 -5.121 -9.600 -5.619 1.00 24.42 H new ATOM 0 HA LYS A 93 -3.052 -9.205 -7.497 1.00 22.25 H new ATOM 0 HB2 LYS A 93 -5.575 -9.613 -7.905 1.00 12.14 H new ATOM 0 HB3 LYS A 93 -5.781 -7.894 -7.632 1.00 12.14 H new ATOM 0 HG2 LYS A 93 -3.688 -7.784 -9.361 1.00 45.24 H new ATOM 0 HG3 LYS A 93 -4.367 -9.315 -9.876 1.00 45.24 H new ATOM 0 HD2 LYS A 93 -5.802 -6.636 -9.837 1.00 14.33 H new ATOM 0 HD3 LYS A 93 -5.204 -7.473 -11.256 1.00 14.33 H new ATOM 0 HE2 LYS A 93 -6.776 -9.406 -10.636 1.00 1.44 H new ATOM 0 HE3 LYS A 93 -7.478 -8.343 -9.432 1.00 1.44 H new ATOM 0 HZ1 LYS A 93 -8.709 -8.271 -11.491 1.00 22.55 H new ATOM 0 HZ2 LYS A 93 -8.003 -6.758 -11.180 1.00 22.55 H new ATOM 0 HZ3 LYS A 93 -7.323 -7.788 -12.346 1.00 22.55 H new ATOM 1338 N VAL A 94 -4.082 -6.474 -5.903 1.00 41.43 N ATOM 1339 CA VAL A 94 -3.814 -5.059 -5.644 1.00 63.34 C ATOM 1340 C VAL A 94 -2.379 -4.913 -5.134 1.00 62.10 C ATOM 1341 O VAL A 94 -1.615 -4.102 -5.646 1.00 61.34 O ATOM 1342 CB VAL A 94 -4.838 -4.483 -4.634 1.00 24.22 C ATOM 1343 CG1 VAL A 94 -4.620 -2.983 -4.381 1.00 44.12 C ATOM 1344 CG2 VAL A 94 -6.299 -4.678 -5.077 1.00 52.31 C ATOM 0 H VAL A 94 -4.879 -6.834 -5.378 1.00 41.43 H new ATOM 0 HA VAL A 94 -3.921 -4.488 -6.567 1.00 63.34 H new ATOM 0 HB VAL A 94 -4.665 -5.048 -3.718 1.00 24.22 H new ATOM 0 HG11 VAL A 94 -5.361 -2.623 -3.667 1.00 44.12 H new ATOM 0 HG12 VAL A 94 -3.620 -2.824 -3.978 1.00 44.12 H new ATOM 0 HG13 VAL A 94 -4.725 -2.437 -5.319 1.00 44.12 H new ATOM 0 HG21 VAL A 94 -6.966 -4.253 -4.327 1.00 52.31 H new ATOM 0 HG22 VAL A 94 -6.460 -4.177 -6.031 1.00 52.31 H new ATOM 0 HG23 VAL A 94 -6.507 -5.742 -5.187 1.00 52.31 H new ATOM 1354 N LEU A 95 -2.003 -5.704 -4.124 1.00 52.34 N ATOM 1355 CA LEU A 95 -0.684 -5.615 -3.510 1.00 4.32 C ATOM 1356 C LEU A 95 0.425 -5.908 -4.525 1.00 42.00 C ATOM 1357 O LEU A 95 1.443 -5.223 -4.495 1.00 64.53 O ATOM 1358 CB LEU A 95 -0.596 -6.597 -2.338 1.00 24.53 C ATOM 1359 CG LEU A 95 -1.471 -6.271 -1.116 1.00 63.24 C ATOM 1360 CD1 LEU A 95 -1.421 -7.443 -0.129 1.00 2.02 C ATOM 1361 CD2 LEU A 95 -1.036 -4.990 -0.395 1.00 75.23 C ATOM 0 H LEU A 95 -2.604 -6.419 -3.714 1.00 52.34 H new ATOM 0 HA LEU A 95 -0.543 -4.597 -3.147 1.00 4.32 H new ATOM 0 HB2 LEU A 95 -0.868 -7.589 -2.700 1.00 24.53 H new ATOM 0 HB3 LEU A 95 0.443 -6.650 -2.012 1.00 24.53 H new ATOM 0 HG LEU A 95 -2.485 -6.110 -1.482 1.00 63.24 H new ATOM 0 HD11 LEU A 95 -2.040 -7.215 0.738 1.00 2.02 H new ATOM 0 HD12 LEU A 95 -1.795 -8.344 -0.615 1.00 2.02 H new ATOM 0 HD13 LEU A 95 -0.392 -7.604 0.192 1.00 2.02 H new ATOM 0 HD21 LEU A 95 -1.691 -4.812 0.458 1.00 75.23 H new ATOM 0 HD22 LEU A 95 -0.009 -5.099 -0.048 1.00 75.23 H new ATOM 0 HD23 LEU A 95 -1.099 -4.146 -1.082 1.00 75.23 H new ATOM 1372 N TYR A 96 0.227 -6.900 -5.404 1.00 45.40 N ATOM 1373 CA TYR A 96 1.165 -7.239 -6.472 1.00 54.14 C ATOM 1374 C TYR A 96 1.331 -6.020 -7.385 1.00 43.03 C ATOM 1375 O TYR A 96 2.449 -5.572 -7.631 1.00 33.42 O ATOM 1376 CB TYR A 96 0.656 -8.491 -7.230 1.00 2.45 C ATOM 1377 CG TYR A 96 1.678 -9.373 -7.942 1.00 65.43 C ATOM 1378 CD1 TYR A 96 2.857 -8.842 -8.499 1.00 63.53 C ATOM 1379 CD2 TYR A 96 1.446 -10.764 -8.039 1.00 61.31 C ATOM 1380 CE1 TYR A 96 3.792 -9.681 -9.130 1.00 14.11 C ATOM 1381 CE2 TYR A 96 2.395 -11.618 -8.629 1.00 51.00 C ATOM 1382 CZ TYR A 96 3.569 -11.072 -9.189 1.00 50.11 C ATOM 1383 OH TYR A 96 4.472 -11.883 -9.801 1.00 43.42 O ATOM 0 H TYR A 96 -0.602 -7.495 -5.389 1.00 45.40 H new ATOM 0 HA TYR A 96 2.146 -7.489 -6.069 1.00 54.14 H new ATOM 0 HB2 TYR A 96 0.118 -9.115 -6.517 1.00 2.45 H new ATOM 0 HB3 TYR A 96 -0.069 -8.158 -7.972 1.00 2.45 H new ATOM 0 HD1 TYR A 96 3.045 -7.780 -8.441 1.00 63.53 H new ATOM 0 HD2 TYR A 96 0.526 -11.177 -7.654 1.00 61.31 H new ATOM 0 HE1 TYR A 96 4.683 -9.259 -9.571 1.00 14.11 H new ATOM 0 HE2 TYR A 96 2.226 -12.684 -8.653 1.00 51.00 H new ATOM 0 HH TYR A 96 4.164 -12.812 -9.750 1.00 43.42 H new ATOM 1392 N ASP A 97 0.219 -5.457 -7.859 1.00 63.11 N ATOM 1393 CA ASP A 97 0.217 -4.379 -8.845 1.00 50.12 C ATOM 1394 C ASP A 97 0.902 -3.125 -8.313 1.00 33.25 C ATOM 1395 O ASP A 97 1.710 -2.525 -9.020 1.00 62.21 O ATOM 1396 CB ASP A 97 -1.233 -4.075 -9.272 1.00 14.03 C ATOM 1397 CG ASP A 97 -1.388 -3.714 -10.751 1.00 31.52 C ATOM 1398 OD1 ASP A 97 -0.587 -4.175 -11.592 1.00 50.32 O ATOM 1399 OD2 ASP A 97 -2.427 -3.103 -11.108 1.00 5.25 O ATOM 0 H ASP A 97 -0.716 -5.741 -7.565 1.00 63.11 H new ATOM 0 HA ASP A 97 0.787 -4.707 -9.714 1.00 50.12 H new ATOM 0 HB2 ASP A 97 -1.854 -4.944 -9.055 1.00 14.03 H new ATOM 0 HB3 ASP A 97 -1.613 -3.252 -8.667 1.00 14.03 H new ATOM 1403 N LEU A 98 0.643 -2.757 -7.052 1.00 74.41 N ATOM 1404 CA LEU A 98 1.323 -1.665 -6.390 1.00 72.30 C ATOM 1405 C LEU A 98 2.812 -1.965 -6.333 1.00 41.30 C ATOM 1406 O LEU A 98 3.603 -1.131 -6.758 1.00 33.54 O ATOM 1407 CB LEU A 98 0.736 -1.460 -4.983 1.00 63.44 C ATOM 1408 CG LEU A 98 -0.713 -0.938 -4.985 1.00 45.04 C ATOM 1409 CD1 LEU A 98 -1.230 -0.839 -3.541 1.00 61.54 C ATOM 1410 CD2 LEU A 98 -0.815 0.436 -5.646 1.00 22.33 C ATOM 0 H LEU A 98 -0.053 -3.221 -6.468 1.00 74.41 H new ATOM 0 HA LEU A 98 1.178 -0.740 -6.949 1.00 72.30 H new ATOM 0 HB2 LEU A 98 0.771 -2.406 -4.443 1.00 63.44 H new ATOM 0 HB3 LEU A 98 1.365 -0.758 -4.436 1.00 63.44 H new ATOM 0 HG LEU A 98 -1.318 -1.641 -5.557 1.00 45.04 H new ATOM 0 HD11 LEU A 98 -2.255 -0.469 -3.546 1.00 61.54 H new ATOM 0 HD12 LEU A 98 -1.202 -1.824 -3.076 1.00 61.54 H new ATOM 0 HD13 LEU A 98 -0.600 -0.153 -2.975 1.00 61.54 H new ATOM 0 HD21 LEU A 98 -1.852 0.772 -5.629 1.00 22.33 H new ATOM 0 HD22 LEU A 98 -0.194 1.148 -5.103 1.00 22.33 H new ATOM 0 HD23 LEU A 98 -0.472 0.369 -6.679 1.00 22.33 H new ATOM 1421 N ALA A 99 3.200 -3.130 -5.809 1.00 32.25 N ATOM 1422 CA ALA A 99 4.595 -3.475 -5.568 1.00 73.51 C ATOM 1423 C ALA A 99 5.438 -3.484 -6.844 1.00 32.32 C ATOM 1424 O ALA A 99 6.554 -2.963 -6.832 1.00 61.22 O ATOM 1425 CB ALA A 99 4.679 -4.823 -4.868 1.00 65.50 C ATOM 0 H ALA A 99 2.545 -3.864 -5.539 1.00 32.25 H new ATOM 0 HA ALA A 99 5.011 -2.697 -4.928 1.00 73.51 H new ATOM 0 HB1 ALA A 99 5.724 -5.076 -4.690 1.00 65.50 H new ATOM 0 HB2 ALA A 99 4.151 -4.772 -3.916 1.00 65.50 H new ATOM 0 HB3 ALA A 99 4.222 -5.588 -5.496 1.00 65.50 H new ATOM 1431 N SER A 100 4.918 -4.054 -7.934 1.00 2.11 N ATOM 1432 CA SER A 100 5.611 -4.141 -9.215 1.00 4.33 C ATOM 1433 C SER A 100 5.959 -2.767 -9.798 1.00 13.31 C ATOM 1434 O SER A 100 6.918 -2.656 -10.562 1.00 22.55 O ATOM 1435 CB SER A 100 4.724 -4.915 -10.197 1.00 21.15 C ATOM 1436 OG SER A 100 4.687 -6.290 -9.851 1.00 50.00 O ATOM 0 H SER A 100 3.988 -4.474 -7.948 1.00 2.11 H new ATOM 0 HA SER A 100 6.557 -4.657 -9.051 1.00 4.33 H new ATOM 0 HB2 SER A 100 3.715 -4.504 -10.187 1.00 21.15 H new ATOM 0 HB3 SER A 100 5.106 -4.799 -11.211 1.00 21.15 H new ATOM 0 HG SER A 100 4.116 -6.772 -10.485 1.00 50.00 H new ATOM 1441 N ASN A 101 5.211 -1.718 -9.450 1.00 34.51 N ATOM 1442 CA ASN A 101 5.283 -0.405 -10.098 1.00 42.14 C ATOM 1443 C ASN A 101 5.557 0.695 -9.068 1.00 14.45 C ATOM 1444 O ASN A 101 5.263 1.866 -9.309 1.00 21.35 O ATOM 1445 CB ASN A 101 3.970 -0.137 -10.848 1.00 12.12 C ATOM 1446 CG ASN A 101 3.626 -1.192 -11.887 1.00 44.01 C ATOM 1447 OD1 ASN A 101 4.030 -1.116 -13.043 1.00 5.22 O ATOM 1448 ND2 ASN A 101 2.864 -2.204 -11.523 1.00 71.43 N ATOM 0 H ASN A 101 4.525 -1.757 -8.696 1.00 34.51 H new ATOM 0 HA ASN A 101 6.108 -0.402 -10.810 1.00 42.14 H new ATOM 0 HB2 ASN A 101 3.157 -0.075 -10.125 1.00 12.12 H new ATOM 0 HB3 ASN A 101 4.035 0.834 -11.339 1.00 12.12 H new ATOM 0 HD21 ASN A 101 2.611 -2.922 -12.202 1.00 71.43 H new ATOM 0 HD22 ASN A 101 2.527 -2.269 -10.562 1.00 71.43 H new ATOM 1454 N GLN A 102 6.051 0.337 -7.877 1.00 62.33 N ATOM 1455 CA GLN A 102 5.752 1.082 -6.660 1.00 65.53 C ATOM 1456 C GLN A 102 6.445 2.431 -6.655 1.00 50.22 C ATOM 1457 O GLN A 102 6.023 3.353 -5.959 1.00 63.52 O ATOM 1458 CB GLN A 102 6.149 0.245 -5.432 1.00 34.14 C ATOM 1459 CG GLN A 102 7.665 0.087 -5.203 1.00 31.41 C ATOM 1460 CD GLN A 102 8.039 -1.072 -4.276 1.00 74.54 C ATOM 1461 OE1 GLN A 102 9.188 -1.497 -4.210 1.00 62.14 O ATOM 1462 NE2 GLN A 102 7.129 -1.595 -3.482 1.00 11.42 N ATOM 0 H GLN A 102 6.661 -0.468 -7.736 1.00 62.33 H new ATOM 0 HA GLN A 102 4.680 1.275 -6.621 1.00 65.53 H new ATOM 0 HB2 GLN A 102 5.710 0.701 -4.545 1.00 34.14 H new ATOM 0 HB3 GLN A 102 5.708 -0.747 -5.531 1.00 34.14 H new ATOM 0 HG2 GLN A 102 8.154 -0.060 -6.166 1.00 31.41 H new ATOM 0 HG3 GLN A 102 8.057 1.014 -4.785 1.00 31.41 H new ATOM 0 HE21 GLN A 102 6.167 -1.259 -3.518 1.00 11.42 H new ATOM 0 HE22 GLN A 102 7.386 -2.337 -2.831 1.00 11.42 H new ATOM 1469 N VAL A 103 7.541 2.515 -7.393 1.00 65.32 N ATOM 1470 CA VAL A 103 8.413 3.654 -7.424 1.00 43.12 C ATOM 1471 C VAL A 103 7.761 4.717 -8.298 1.00 13.34 C ATOM 1472 O VAL A 103 7.530 5.820 -7.821 1.00 72.23 O ATOM 1473 CB VAL A 103 9.797 3.215 -7.933 1.00 33.34 C ATOM 1474 CG1 VAL A 103 10.817 4.218 -7.436 1.00 13.22 C ATOM 1475 CG2 VAL A 103 10.240 1.824 -7.448 1.00 43.43 C ATOM 0 H VAL A 103 7.849 1.759 -8.005 1.00 65.32 H new ATOM 0 HA VAL A 103 8.566 4.082 -6.433 1.00 43.12 H new ATOM 0 HB VAL A 103 9.728 3.167 -9.020 1.00 33.34 H new ATOM 0 HG11 VAL A 103 11.809 3.930 -7.783 1.00 13.22 H new ATOM 0 HG12 VAL A 103 10.571 5.208 -7.820 1.00 13.22 H new ATOM 0 HG13 VAL A 103 10.806 4.239 -6.346 1.00 13.22 H new ATOM 0 HG21 VAL A 103 11.225 1.594 -7.853 1.00 43.43 H new ATOM 0 HG22 VAL A 103 10.285 1.816 -6.359 1.00 43.43 H new ATOM 0 HG23 VAL A 103 9.524 1.075 -7.788 1.00 43.43 H new ATOM 1485 N ASP A 104 7.418 4.387 -9.548 1.00 12.43 N ATOM 1486 CA ASP A 104 6.833 5.347 -10.484 1.00 3.14 C ATOM 1487 C ASP A 104 5.457 5.812 -10.022 1.00 73.44 C ATOM 1488 O ASP A 104 5.146 7.001 -10.094 1.00 34.24 O ATOM 1489 CB ASP A 104 6.698 4.739 -11.879 1.00 25.21 C ATOM 1490 CG ASP A 104 5.989 5.726 -12.815 1.00 12.41 C ATOM 1491 OD1 ASP A 104 6.656 6.671 -13.303 1.00 73.44 O ATOM 1492 OD2 ASP A 104 4.767 5.554 -13.048 1.00 44.02 O ATOM 0 H ASP A 104 7.538 3.451 -9.936 1.00 12.43 H new ATOM 0 HA ASP A 104 7.508 6.202 -10.518 1.00 3.14 H new ATOM 0 HB2 ASP A 104 7.684 4.494 -12.275 1.00 25.21 H new ATOM 0 HB3 ASP A 104 6.135 3.807 -11.826 1.00 25.21 H new ATOM 1496 N LEU A 105 4.636 4.870 -9.541 1.00 22.11 N ATOM 1497 CA LEU A 105 3.303 5.172 -9.039 1.00 41.13 C ATOM 1498 C LEU A 105 3.394 6.193 -7.910 1.00 44.33 C ATOM 1499 O LEU A 105 2.624 7.155 -7.896 1.00 70.43 O ATOM 1500 CB LEU A 105 2.607 3.890 -8.551 1.00 44.10 C ATOM 1501 CG LEU A 105 2.148 2.917 -9.657 1.00 53.40 C ATOM 1502 CD1 LEU A 105 1.384 1.752 -9.015 1.00 63.24 C ATOM 1503 CD2 LEU A 105 1.290 3.560 -10.755 1.00 45.41 C ATOM 0 H LEU A 105 4.883 3.881 -9.492 1.00 22.11 H new ATOM 0 HA LEU A 105 2.709 5.594 -9.849 1.00 41.13 H new ATOM 0 HB2 LEU A 105 3.288 3.360 -7.885 1.00 44.10 H new ATOM 0 HB3 LEU A 105 1.738 4.174 -7.958 1.00 44.10 H new ATOM 0 HG LEU A 105 3.053 2.571 -10.157 1.00 53.40 H new ATOM 0 HD11 LEU A 105 1.056 1.060 -9.791 1.00 63.24 H new ATOM 0 HD12 LEU A 105 2.037 1.230 -8.316 1.00 63.24 H new ATOM 0 HD13 LEU A 105 0.515 2.137 -8.482 1.00 63.24 H new ATOM 0 HD21 LEU A 105 1.013 2.804 -11.490 1.00 45.41 H new ATOM 0 HD22 LEU A 105 0.389 3.983 -10.311 1.00 45.41 H new ATOM 0 HD23 LEU A 105 1.859 4.350 -11.245 1.00 45.41 H new ATOM 1514 N TRP A 106 4.328 5.982 -6.979 1.00 41.34 N ATOM 1515 CA TRP A 106 4.656 6.931 -5.934 1.00 72.10 C ATOM 1516 C TRP A 106 5.142 8.248 -6.518 1.00 42.43 C ATOM 1517 O TRP A 106 4.503 9.246 -6.215 1.00 3.31 O ATOM 1518 CB TRP A 106 5.609 6.277 -4.937 1.00 24.12 C ATOM 1519 CG TRP A 106 5.999 7.126 -3.772 1.00 1.05 C ATOM 1520 CD1 TRP A 106 7.232 7.607 -3.504 1.00 25.12 C ATOM 1521 CD2 TRP A 106 5.127 7.702 -2.764 1.00 1.25 C ATOM 1522 NE1 TRP A 106 7.207 8.320 -2.322 1.00 74.53 N ATOM 1523 CE2 TRP A 106 5.915 8.479 -1.866 1.00 31.41 C ATOM 1524 CE3 TRP A 106 3.736 7.661 -2.541 1.00 74.24 C ATOM 1525 CZ2 TRP A 106 5.335 9.213 -0.824 1.00 50.00 C ATOM 1526 CZ3 TRP A 106 3.149 8.379 -1.487 1.00 54.02 C ATOM 1527 CH2 TRP A 106 3.944 9.179 -0.649 1.00 63.12 C ATOM 0 H TRP A 106 4.883 5.127 -6.937 1.00 41.34 H new ATOM 0 HA TRP A 106 3.763 7.201 -5.371 1.00 72.10 H new ATOM 0 HB2 TRP A 106 5.145 5.365 -4.561 1.00 24.12 H new ATOM 0 HB3 TRP A 106 6.514 5.979 -5.467 1.00 24.12 H new ATOM 0 HD1 TRP A 106 8.106 7.457 -4.121 1.00 25.12 H new ATOM 0 HE1 TRP A 106 8.035 8.682 -1.848 1.00 74.53 H new ATOM 0 HE3 TRP A 106 3.111 7.067 -3.192 1.00 74.24 H new ATOM 0 HZ2 TRP A 106 5.953 9.800 -0.161 1.00 50.00 H new ATOM 0 HZ3 TRP A 106 2.084 8.316 -1.320 1.00 54.02 H new ATOM 0 HH2 TRP A 106 3.484 9.768 0.130 1.00 63.12 H new ATOM 1537 N GLU A 107 6.184 8.262 -7.358 1.00 5.45 N ATOM 1538 CA GLU A 107 6.845 9.447 -7.936 1.00 13.45 C ATOM 1539 C GLU A 107 5.818 10.467 -8.436 1.00 64.35 C ATOM 1540 O GLU A 107 5.865 11.652 -8.107 1.00 24.34 O ATOM 1541 CB GLU A 107 7.739 9.025 -9.117 1.00 4.33 C ATOM 1542 CG GLU A 107 9.152 9.633 -9.180 1.00 53.43 C ATOM 1543 CD GLU A 107 9.356 11.052 -8.625 1.00 74.20 C ATOM 1544 OE1 GLU A 107 8.996 12.060 -9.295 1.00 11.20 O ATOM 1545 OE2 GLU A 107 10.005 11.161 -7.560 1.00 72.42 O ATOM 0 H GLU A 107 6.618 7.395 -7.674 1.00 5.45 H new ATOM 0 HA GLU A 107 7.447 9.907 -7.152 1.00 13.45 H new ATOM 0 HB2 GLU A 107 7.839 7.940 -9.095 1.00 4.33 H new ATOM 0 HB3 GLU A 107 7.220 9.279 -10.041 1.00 4.33 H new ATOM 0 HG2 GLU A 107 9.826 8.965 -8.644 1.00 53.43 H new ATOM 0 HG3 GLU A 107 9.468 9.635 -10.223 1.00 53.43 H new ATOM 1550 N ASN A 108 4.854 9.975 -9.209 1.00 34.23 N ATOM 1551 CA ASN A 108 3.724 10.729 -9.719 1.00 42.35 C ATOM 1552 C ASN A 108 2.928 11.501 -8.656 1.00 65.24 C ATOM 1553 O ASN A 108 2.453 12.587 -8.981 1.00 2.43 O ATOM 1554 CB ASN A 108 2.921 9.837 -10.670 1.00 3.40 C ATOM 1555 CG ASN A 108 1.459 9.931 -10.365 1.00 33.31 C ATOM 1556 OD1 ASN A 108 0.682 10.620 -11.016 1.00 50.44 O ATOM 1557 ND2 ASN A 108 1.108 9.247 -9.301 1.00 52.33 N ATOM 0 H ASN A 108 4.843 8.999 -9.507 1.00 34.23 H new ATOM 0 HA ASN A 108 4.093 11.567 -10.310 1.00 42.35 H new ATOM 0 HB2 ASN A 108 3.104 10.138 -11.702 1.00 3.40 H new ATOM 0 HB3 ASN A 108 3.253 8.803 -10.576 1.00 3.40 H new ATOM 0 HD21 ASN A 108 0.142 9.271 -8.975 1.00 52.33 H new ATOM 0 HD22 ASN A 108 1.801 8.691 -8.800 1.00 52.33 H new ATOM 1563 N TYR A 109 2.820 11.055 -7.401 1.00 61.53 N ATOM 1564 CA TYR A 109 2.156 11.843 -6.374 1.00 22.32 C ATOM 1565 C TYR A 109 3.064 13.017 -6.038 1.00 5.30 C ATOM 1566 O TYR A 109 2.584 14.143 -5.973 1.00 54.45 O ATOM 1567 CB TYR A 109 1.813 11.019 -5.120 1.00 32.30 C ATOM 1568 CG TYR A 109 0.651 10.052 -5.295 1.00 4.34 C ATOM 1569 CD1 TYR A 109 -0.676 10.488 -5.099 1.00 23.41 C ATOM 1570 CD2 TYR A 109 0.895 8.711 -5.644 1.00 24.12 C ATOM 1571 CE1 TYR A 109 -1.748 9.590 -5.269 1.00 42.15 C ATOM 1572 CE2 TYR A 109 -0.170 7.806 -5.807 1.00 5.12 C ATOM 1573 CZ TYR A 109 -1.501 8.247 -5.636 1.00 70.24 C ATOM 1574 OH TYR A 109 -2.546 7.388 -5.788 1.00 71.21 O ATOM 0 H TYR A 109 3.183 10.158 -7.079 1.00 61.53 H new ATOM 0 HA TYR A 109 1.197 12.196 -6.755 1.00 22.32 H new ATOM 0 HB2 TYR A 109 2.696 10.455 -4.820 1.00 32.30 H new ATOM 0 HB3 TYR A 109 1.579 11.703 -4.304 1.00 32.30 H new ATOM 0 HD1 TYR A 109 -0.871 11.512 -4.818 1.00 23.41 H new ATOM 0 HD2 TYR A 109 1.910 8.373 -5.788 1.00 24.12 H new ATOM 0 HE1 TYR A 109 -2.762 9.929 -5.118 1.00 42.15 H new ATOM 0 HE2 TYR A 109 0.030 6.776 -6.062 1.00 5.12 H new ATOM 0 HH TYR A 109 -2.205 6.489 -5.980 1.00 71.21 H new ATOM 1583 N LEU A 110 4.373 12.800 -5.870 1.00 53.41 N ATOM 1584 CA LEU A 110 5.332 13.848 -5.535 1.00 11.24 C ATOM 1585 C LEU A 110 5.364 14.922 -6.624 1.00 54.42 C ATOM 1586 O LEU A 110 5.565 16.096 -6.312 1.00 13.01 O ATOM 1587 CB LEU A 110 6.744 13.264 -5.367 1.00 52.32 C ATOM 1588 CG LEU A 110 6.919 12.193 -4.273 1.00 4.44 C ATOM 1589 CD1 LEU A 110 6.156 10.915 -4.526 1.00 24.23 C ATOM 1590 CD2 LEU A 110 8.388 11.806 -4.219 1.00 45.40 C ATOM 0 H LEU A 110 4.798 11.878 -5.965 1.00 53.41 H new ATOM 0 HA LEU A 110 5.013 14.296 -4.594 1.00 11.24 H new ATOM 0 HB2 LEU A 110 7.050 12.832 -6.320 1.00 52.32 H new ATOM 0 HB3 LEU A 110 7.429 14.084 -5.154 1.00 52.32 H new ATOM 0 HG LEU A 110 6.539 12.637 -3.353 1.00 4.44 H new ATOM 0 HD11 LEU A 110 6.335 10.216 -3.709 1.00 24.23 H new ATOM 0 HD12 LEU A 110 5.090 11.134 -4.589 1.00 24.23 H new ATOM 0 HD13 LEU A 110 6.491 10.470 -5.463 1.00 24.23 H new ATOM 0 HD21 LEU A 110 8.536 11.048 -3.450 1.00 45.40 H new ATOM 0 HD22 LEU A 110 8.695 11.407 -5.186 1.00 45.40 H new ATOM 0 HD23 LEU A 110 8.987 12.685 -3.982 1.00 45.40 H new ATOM 1601 N ALA A 111 5.178 14.533 -7.888 1.00 34.10 N ATOM 1602 CA ALA A 111 5.010 15.440 -9.013 1.00 12.01 C ATOM 1603 C ALA A 111 3.658 16.152 -8.934 1.00 25.44 C ATOM 1604 O ALA A 111 3.613 17.360 -8.688 1.00 72.32 O ATOM 1605 CB ALA A 111 5.171 14.655 -10.322 1.00 5.13 C ATOM 0 H ALA A 111 5.140 13.550 -8.158 1.00 34.10 H new ATOM 0 HA ALA A 111 5.777 16.214 -8.981 1.00 12.01 H new ATOM 0 HB1 ALA A 111 5.046 15.330 -11.169 1.00 5.13 H new ATOM 0 HB2 ALA A 111 6.164 14.208 -10.358 1.00 5.13 H new ATOM 0 HB3 ALA A 111 4.417 13.869 -10.370 1.00 5.13 H new ATOM 1611 N ARG A 112 2.550 15.424 -9.124 1.00 45.12 N ATOM 1612 CA ARG A 112 1.205 15.993 -9.231 1.00 22.54 C ATOM 1613 C ARG A 112 0.791 16.769 -7.984 1.00 70.24 C ATOM 1614 O ARG A 112 -0.069 17.643 -8.078 1.00 53.13 O ATOM 1615 CB ARG A 112 0.174 14.891 -9.528 1.00 52.12 C ATOM 1616 CG ARG A 112 0.360 14.222 -10.895 1.00 74.43 C ATOM 1617 CD ARG A 112 -0.934 13.558 -11.385 1.00 62.54 C ATOM 1618 NE ARG A 112 -0.835 13.183 -12.805 1.00 31.14 N ATOM 1619 CZ ARG A 112 -1.810 12.642 -13.544 1.00 21.12 C ATOM 1620 NH1 ARG A 112 -2.953 12.240 -13.005 1.00 41.11 N ATOM 1621 NH2 ARG A 112 -1.671 12.510 -14.856 1.00 50.05 N ATOM 0 H ARG A 112 2.566 14.408 -9.209 1.00 45.12 H new ATOM 0 HA ARG A 112 1.232 16.701 -10.059 1.00 22.54 H new ATOM 0 HB2 ARG A 112 0.235 14.130 -8.750 1.00 52.12 H new ATOM 0 HB3 ARG A 112 -0.827 15.319 -9.477 1.00 52.12 H new ATOM 0 HG2 ARG A 112 0.685 14.966 -11.623 1.00 74.43 H new ATOM 0 HG3 ARG A 112 1.150 13.474 -10.829 1.00 74.43 H new ATOM 0 HD2 ARG A 112 -1.140 12.671 -10.786 1.00 62.54 H new ATOM 0 HD3 ARG A 112 -1.772 14.240 -11.244 1.00 62.54 H new ATOM 0 HE ARG A 112 0.058 13.351 -13.268 1.00 31.14 H new ATOM 0 HH11 ARG A 112 -3.107 12.340 -12.002 1.00 41.11 H new ATOM 0 HH12 ARG A 112 -3.679 11.831 -13.594 1.00 41.11 H new ATOM 0 HH21 ARG A 112 -0.814 12.822 -15.312 1.00 50.05 H new ATOM 0 HH22 ARG A 112 -2.421 12.096 -15.409 1.00 50.05 H new ATOM 1632 N LEU A 113 1.427 16.529 -6.835 1.00 14.31 N ATOM 1633 CA LEU A 113 1.281 17.309 -5.618 1.00 42.25 C ATOM 1634 C LEU A 113 1.536 18.776 -5.906 1.00 5.33 C ATOM 1635 O LEU A 113 0.726 19.612 -5.512 1.00 12.21 O ATOM 1636 CB LEU A 113 2.250 16.791 -4.543 1.00 3.11 C ATOM 1637 CG LEU A 113 2.280 17.619 -3.248 1.00 34.11 C ATOM 1638 CD1 LEU A 113 0.886 17.800 -2.665 1.00 11.30 C ATOM 1639 CD2 LEU A 113 3.094 16.895 -2.183 1.00 53.34 C ATOM 0 H LEU A 113 2.082 15.754 -6.730 1.00 14.31 H new ATOM 0 HA LEU A 113 0.262 17.203 -5.246 1.00 42.25 H new ATOM 0 HB2 LEU A 113 1.980 15.765 -4.295 1.00 3.11 H new ATOM 0 HB3 LEU A 113 3.255 16.763 -4.963 1.00 3.11 H new ATOM 0 HG LEU A 113 2.713 18.585 -3.507 1.00 34.11 H new ATOM 0 HD11 LEU A 113 0.948 18.390 -1.751 1.00 11.30 H new ATOM 0 HD12 LEU A 113 0.254 18.316 -3.388 1.00 11.30 H new ATOM 0 HD13 LEU A 113 0.457 16.824 -2.439 1.00 11.30 H new ATOM 0 HD21 LEU A 113 3.109 17.490 -1.270 1.00 53.34 H new ATOM 0 HD22 LEU A 113 2.642 15.925 -1.977 1.00 53.34 H new ATOM 0 HD23 LEU A 113 4.114 16.752 -2.540 1.00 53.34 H new ATOM 1650 N ARG A 114 2.631 19.105 -6.597 1.00 14.23 N ATOM 1651 CA ARG A 114 2.916 20.503 -6.892 1.00 12.22 C ATOM 1652 C ARG A 114 1.848 21.114 -7.803 1.00 33.41 C ATOM 1653 O ARG A 114 1.491 22.277 -7.631 1.00 74.12 O ATOM 1654 CB ARG A 114 4.319 20.680 -7.491 1.00 11.13 C ATOM 1655 CG ARG A 114 5.454 20.584 -6.454 1.00 45.11 C ATOM 1656 CD ARG A 114 5.964 19.162 -6.169 1.00 34.34 C ATOM 1657 NE ARG A 114 7.070 19.190 -5.193 1.00 42.04 N ATOM 1658 CZ ARG A 114 8.094 18.336 -5.056 1.00 3.11 C ATOM 1659 NH1 ARG A 114 8.161 17.217 -5.771 1.00 13.13 N ATOM 1660 NH2 ARG A 114 9.040 18.620 -4.166 1.00 50.02 N ATOM 0 H ARG A 114 3.316 18.438 -6.953 1.00 14.23 H new ATOM 0 HA ARG A 114 2.891 21.042 -5.945 1.00 12.22 H new ATOM 0 HB2 ARG A 114 4.475 19.921 -8.258 1.00 11.13 H new ATOM 0 HB3 ARG A 114 4.373 21.650 -7.986 1.00 11.13 H new ATOM 0 HG2 ARG A 114 6.291 21.190 -6.799 1.00 45.11 H new ATOM 0 HG3 ARG A 114 5.107 21.022 -5.518 1.00 45.11 H new ATOM 0 HD2 ARG A 114 5.149 18.548 -5.785 1.00 34.34 H new ATOM 0 HD3 ARG A 114 6.302 18.699 -7.096 1.00 34.34 H new ATOM 0 HE ARG A 114 7.053 19.966 -4.531 1.00 42.04 H new ATOM 0 HH11 ARG A 114 7.424 16.994 -6.440 1.00 13.13 H new ATOM 0 HH12 ARG A 114 8.950 16.581 -5.651 1.00 13.13 H new ATOM 0 HH21 ARG A 114 8.976 19.471 -3.607 1.00 50.02 H new ATOM 0 HH22 ARG A 114 9.830 17.987 -4.042 1.00 50.02 H new ATOM 1671 N ALA A 115 1.285 20.343 -8.735 1.00 10.32 N ATOM 1672 CA ALA A 115 0.188 20.811 -9.578 1.00 44.41 C ATOM 1673 C ALA A 115 -1.147 20.876 -8.813 1.00 34.20 C ATOM 1674 O ALA A 115 -2.080 21.537 -9.271 1.00 64.25 O ATOM 1675 CB ALA A 115 0.083 19.909 -10.811 1.00 2.14 C ATOM 0 H ALA A 115 1.575 19.384 -8.924 1.00 10.32 H new ATOM 0 HA ALA A 115 0.405 21.831 -9.894 1.00 44.41 H new ATOM 0 HB1 ALA A 115 -0.734 20.253 -11.445 1.00 2.14 H new ATOM 0 HB2 ALA A 115 1.017 19.948 -11.371 1.00 2.14 H new ATOM 0 HB3 ALA A 115 -0.109 18.883 -10.496 1.00 2.14 H new ATOM 1681 N ALA A 116 -1.249 20.217 -7.653 1.00 10.43 N ATOM 1682 CA ALA A 116 -2.453 20.136 -6.820 1.00 4.02 C ATOM 1683 C ALA A 116 -2.349 21.003 -5.560 1.00 53.34 C ATOM 1684 O ALA A 116 -3.285 21.070 -4.760 1.00 14.02 O ATOM 1685 CB ALA A 116 -2.709 18.676 -6.440 1.00 34.52 C ATOM 0 H ALA A 116 -0.463 19.705 -7.253 1.00 10.43 H new ATOM 0 HA ALA A 116 -3.290 20.522 -7.402 1.00 4.02 H new ATOM 0 HB1 ALA A 116 -3.604 18.613 -5.821 1.00 34.52 H new ATOM 0 HB2 ALA A 116 -2.851 18.084 -7.344 1.00 34.52 H new ATOM 0 HB3 ALA A 116 -1.855 18.290 -5.884 1.00 34.52 H new ATOM 1691 N LYS A 117 -1.207 21.672 -5.374 1.00 73.55 N ATOM 1692 CA LYS A 117 -0.958 22.670 -4.341 1.00 51.44 C ATOM 1693 C LYS A 117 -1.265 22.156 -2.927 1.00 42.15 C ATOM 1694 O LYS A 117 -1.692 22.921 -2.057 1.00 15.33 O ATOM 1695 CB LYS A 117 -1.717 23.940 -4.723 1.00 41.15 C ATOM 1696 CG LYS A 117 -1.344 24.440 -6.134 1.00 15.00 C ATOM 1697 CD LYS A 117 -2.578 24.518 -7.027 1.00 42.02 C ATOM 1698 CE LYS A 117 -2.172 25.139 -8.362 1.00 54.04 C ATOM 1699 NZ LYS A 117 -3.328 25.605 -9.153 1.00 44.23 N ATOM 0 H LYS A 117 -0.394 21.521 -5.972 1.00 73.55 H new ATOM 0 HA LYS A 117 0.106 22.901 -4.295 1.00 51.44 H new ATOM 0 HB2 LYS A 117 -2.789 23.748 -4.679 1.00 41.15 H new ATOM 0 HB3 LYS A 117 -1.504 24.722 -3.994 1.00 41.15 H new ATOM 0 HG2 LYS A 117 -0.878 25.423 -6.065 1.00 15.00 H new ATOM 0 HG3 LYS A 117 -0.609 23.769 -6.580 1.00 15.00 H new ATOM 0 HD2 LYS A 117 -2.996 23.523 -7.183 1.00 42.02 H new ATOM 0 HD3 LYS A 117 -3.353 25.118 -6.550 1.00 42.02 H new ATOM 0 HE2 LYS A 117 -1.502 25.979 -8.178 1.00 54.04 H new ATOM 0 HE3 LYS A 117 -1.612 24.406 -8.943 1.00 54.04 H new ATOM 0 HZ1 LYS A 117 -2.993 26.017 -10.047 1.00 44.23 H new ATOM 0 HZ2 LYS A 117 -3.957 24.802 -9.355 1.00 44.23 H new ATOM 0 HZ3 LYS A 117 -3.850 26.325 -8.614 1.00 44.23 H new ATOM 1709 N ALA A 118 -1.149 20.841 -2.723 1.00 62.24 N ATOM 1710 CA ALA A 118 -1.688 20.160 -1.555 1.00 32.24 C ATOM 1711 C ALA A 118 -0.629 20.034 -0.454 1.00 64.23 C ATOM 1712 O ALA A 118 0.477 20.573 -0.573 1.00 14.43 O ATOM 1713 CB ALA A 118 -2.328 18.827 -1.973 1.00 34.11 C ATOM 0 H ALA A 118 -0.672 20.217 -3.374 1.00 62.24 H new ATOM 0 HA ALA A 118 -2.486 20.757 -1.114 1.00 32.24 H new ATOM 0 HB1 ALA A 118 -2.729 18.324 -1.093 1.00 34.11 H new ATOM 0 HB2 ALA A 118 -3.135 19.017 -2.681 1.00 34.11 H new ATOM 0 HB3 ALA A 118 -1.575 18.193 -2.442 1.00 34.11 H new ATOM 1719 N SER A 119 -0.957 19.336 0.632 1.00 44.11 N ATOM 1720 CA SER A 119 -0.073 19.174 1.786 1.00 75.43 C ATOM 1721 C SER A 119 1.162 18.343 1.430 1.00 55.24 C ATOM 1722 O SER A 119 1.056 17.292 0.789 1.00 23.13 O ATOM 1723 CB SER A 119 -0.831 18.501 2.932 1.00 12.04 C ATOM 1724 OG SER A 119 -2.144 19.021 3.061 1.00 52.01 O ATOM 0 H SER A 119 -1.854 18.862 0.737 1.00 44.11 H new ATOM 0 HA SER A 119 0.260 20.165 2.096 1.00 75.43 H new ATOM 0 HB2 SER A 119 -0.879 17.426 2.756 1.00 12.04 H new ATOM 0 HB3 SER A 119 -0.287 18.647 3.865 1.00 12.04 H new ATOM 0 HG SER A 119 -2.603 18.570 3.800 1.00 52.01 H new ATOM 1729 N ARG A 120 2.332 18.766 1.910 1.00 41.45 N ATOM 1730 CA ARG A 120 3.605 18.083 1.701 1.00 34.53 C ATOM 1731 C ARG A 120 4.150 17.662 3.063 1.00 42.04 C ATOM 1732 O ARG A 120 5.176 18.178 3.516 1.00 64.23 O ATOM 1733 CB ARG A 120 4.562 18.933 0.836 1.00 74.42 C ATOM 1734 CG ARG A 120 4.859 20.346 1.378 1.00 31.44 C ATOM 1735 CD ARG A 120 6.339 20.737 1.332 1.00 55.01 C ATOM 1736 NE ARG A 120 7.174 19.789 2.086 1.00 20.52 N ATOM 1737 CZ ARG A 120 8.476 19.918 2.357 1.00 61.42 C ATOM 1738 NH1 ARG A 120 9.115 21.053 2.100 1.00 63.34 N ATOM 1739 NH2 ARG A 120 9.130 18.894 2.894 1.00 21.40 N ATOM 0 H ARG A 120 2.421 19.615 2.469 1.00 41.45 H new ATOM 0 HA ARG A 120 3.477 17.172 1.117 1.00 34.53 H new ATOM 0 HB2 ARG A 120 5.505 18.396 0.731 1.00 74.42 H new ATOM 0 HB3 ARG A 120 4.136 19.027 -0.163 1.00 74.42 H new ATOM 0 HG2 ARG A 120 4.285 21.072 0.802 1.00 31.44 H new ATOM 0 HG3 ARG A 120 4.510 20.409 2.409 1.00 31.44 H new ATOM 0 HD2 ARG A 120 6.674 20.773 0.295 1.00 55.01 H new ATOM 0 HD3 ARG A 120 6.464 21.739 1.743 1.00 55.01 H new ATOM 0 HE ARG A 120 6.713 18.950 2.437 1.00 20.52 H new ATOM 0 HH11 ARG A 120 8.612 21.840 1.691 1.00 63.34 H new ATOM 0 HH12 ARG A 120 10.109 21.138 2.312 1.00 63.34 H new ATOM 0 HH21 ARG A 120 8.638 18.023 3.094 1.00 21.40 H new ATOM 0 HH22 ARG A 120 10.124 18.979 3.106 1.00 21.40 H new ATOM 1750 N GLU A 121 3.448 16.726 3.702 1.00 75.35 N ATOM 1751 CA GLU A 121 3.841 16.061 4.947 1.00 40.13 C ATOM 1752 C GLU A 121 5.242 15.446 4.803 1.00 41.03 C ATOM 1753 O GLU A 121 5.752 15.331 3.677 1.00 35.11 O ATOM 1754 CB GLU A 121 2.806 14.972 5.301 1.00 21.24 C ATOM 1755 CG GLU A 121 1.375 15.483 5.462 1.00 51.24 C ATOM 1756 CD GLU A 121 1.273 16.665 6.421 1.00 2.20 C ATOM 1757 OE1 GLU A 121 1.777 16.534 7.557 1.00 35.50 O ATOM 1758 OE2 GLU A 121 0.642 17.678 6.041 1.00 20.31 O ATOM 0 H GLU A 121 2.549 16.395 3.351 1.00 75.35 H new ATOM 0 HA GLU A 121 3.872 16.796 5.752 1.00 40.13 H new ATOM 0 HB2 GLU A 121 2.820 14.209 4.523 1.00 21.24 H new ATOM 0 HB3 GLU A 121 3.111 14.487 6.228 1.00 21.24 H new ATOM 0 HG2 GLU A 121 0.988 15.778 4.487 1.00 51.24 H new ATOM 0 HG3 GLU A 121 0.743 14.672 5.824 1.00 51.24 H new ATOM 1763 N PRO A 122 5.897 15.061 5.908 1.00 73.33 N ATOM 1764 CA PRO A 122 7.138 14.305 5.830 1.00 31.24 C ATOM 1765 C PRO A 122 6.869 12.899 5.272 1.00 74.13 C ATOM 1766 O PRO A 122 5.739 12.419 5.342 1.00 55.14 O ATOM 1767 CB PRO A 122 7.709 14.313 7.252 1.00 75.41 C ATOM 1768 CG PRO A 122 6.511 14.573 8.161 1.00 0.40 C ATOM 1769 CD PRO A 122 5.486 15.287 7.285 1.00 11.41 C ATOM 0 HA PRO A 122 7.865 14.738 5.144 1.00 31.24 H new ATOM 0 HB2 PRO A 122 8.186 13.362 7.491 1.00 75.41 H new ATOM 0 HB3 PRO A 122 8.467 15.088 7.368 1.00 75.41 H new ATOM 0 HG2 PRO A 122 6.108 13.641 8.557 1.00 0.40 H new ATOM 0 HG3 PRO A 122 6.793 15.187 9.016 1.00 0.40 H new ATOM 0 HD2 PRO A 122 4.484 14.895 7.461 1.00 11.41 H new ATOM 0 HD3 PRO A 122 5.456 16.353 7.512 1.00 11.41 H new