USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 800 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 46 SER OG : rot 140:sc= 0.506 USER MOD Set 1.2: A 52 LYS NZ :NH3+ 158:sc= 0.548 (180deg=0.152) USER MOD Set 2.1: A 19 GLN :FLIP amide:sc= 0.0941 F(o=-0.43,f=0.22) USER MOD Set 2.2: A 33 THR OG1 : rot -109:sc= 0.129 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.163 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.321 K(o=-0.32,f=-2.6!) USER MOD Single : A 16 SER OG : rot 11:sc= 0.423 USER MOD Single : A 17 SER OG : rot -160:sc= 0.11 USER MOD Single : A 23 LYS NZ :NH3+ 162:sc= -0.521 (180deg=-1.04!) USER MOD Single : A 24 HIS : no HD1:sc= -0.443 X(o=-0.44,f=0.053) USER MOD Single : A 25 ASN : amide:sc= -0.15 K(o=-0.15,f=-3.1!) USER MOD Single : A 26 TYR OH : rot 80:sc= 0.0526 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0.00643 USER MOD Single : A 37 SER OG : rot 10:sc= 0.312 USER MOD Single : A 38 GLN : amide:sc= -0.0936 K(o=-0.094,f=-0.8) USER MOD Single : A 45 LYS NZ :NH3+ 148:sc= -1.18 (180deg=-2.32!) USER MOD Single : A 47 MET CE :methyl -171:sc= -1.41 (180deg=-1.59) USER MOD Single : A 48 LYS NZ :NH3+ -149:sc= -0.876 (180deg=-2.38!) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.0266 F(o=-1.6,f=-0.027) USER MOD Single : A 59 ASN : amide:sc= 0.00243 X(o=0.0024,f=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 67 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.66) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.402 F(o=-0.96,f=-0.4) USER MOD Single : A 71 ASN : amide:sc= -0.147 K(o=-0.15,f=-0.69) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 170:sc= 0.43 (180deg=0.377) USER MOD Single : A 79 SER OG : rot 180:sc= -0.03 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= -0.0236 (180deg=-0.197) USER MOD Single : A 85 SER OG : rot 151:sc= 0.801 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 76:sc= 0.972 USER MOD Single : A 93 GLN : amide:sc= -1.02 K(o=-1,f=-4.9!) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= -0.0336 (180deg=-0.204) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 2.131 10.370 0.392 1.00 11.24 N ATOM 28 CA LYS A 3 1.677 9.499 1.483 1.00 64.23 C ATOM 29 C LYS A 3 1.094 8.222 0.872 1.00 41.40 C ATOM 30 O LYS A 3 0.435 8.276 -0.172 1.00 10.44 O ATOM 31 CB LYS A 3 0.636 10.204 2.402 1.00 12.05 C ATOM 32 CG LYS A 3 0.266 9.375 3.658 1.00 24.22 C ATOM 33 CD LYS A 3 -0.700 10.097 4.624 1.00 24.21 C ATOM 34 CE LYS A 3 -1.111 9.208 5.817 1.00 4.32 C ATOM 35 NZ LYS A 3 -1.972 9.929 6.795 1.00 23.10 N ATOM 0 HA LYS A 3 2.528 9.255 2.118 1.00 64.23 H new ATOM 0 HB2 LYS A 3 1.034 11.169 2.716 1.00 12.05 H new ATOM 0 HB3 LYS A 3 -0.269 10.404 1.828 1.00 12.05 H new ATOM 0 HG2 LYS A 3 -0.188 8.436 3.341 1.00 24.22 H new ATOM 0 HG3 LYS A 3 1.180 9.122 4.196 1.00 24.22 H new ATOM 0 HD2 LYS A 3 -0.226 11.005 4.997 1.00 24.21 H new ATOM 0 HD3 LYS A 3 -1.592 10.405 4.079 1.00 24.21 H new ATOM 0 HE2 LYS A 3 -1.643 8.331 5.447 1.00 4.32 H new ATOM 0 HE3 LYS A 3 -0.215 8.847 6.323 1.00 4.32 H new ATOM 0 HZ1 LYS A 3 -2.220 9.289 7.576 1.00 23.10 H new ATOM 0 HZ2 LYS A 3 -1.457 10.751 7.171 1.00 23.10 H new ATOM 0 HZ3 LYS A 3 -2.840 10.251 6.322 1.00 23.10 H new ATOM 49 N VAL A 4 1.346 7.071 1.512 1.00 53.34 N ATOM 50 CA VAL A 4 0.906 5.757 1.013 1.00 14.10 C ATOM 51 C VAL A 4 0.031 5.027 2.044 1.00 30.34 C ATOM 52 O VAL A 4 0.207 5.184 3.251 1.00 52.43 O ATOM 53 CB VAL A 4 2.132 4.852 0.629 1.00 51.31 C ATOM 54 CG1 VAL A 4 3.026 4.560 1.844 1.00 65.43 C ATOM 55 CG2 VAL A 4 1.680 3.546 -0.039 1.00 44.10 C ATOM 0 H VAL A 4 1.861 7.023 2.391 1.00 53.34 H new ATOM 0 HA VAL A 4 0.311 5.942 0.119 1.00 14.10 H new ATOM 0 HB VAL A 4 2.726 5.412 -0.094 1.00 51.31 H new ATOM 0 HG11 VAL A 4 3.862 3.932 1.538 1.00 65.43 H new ATOM 0 HG12 VAL A 4 3.406 5.498 2.250 1.00 65.43 H new ATOM 0 HG13 VAL A 4 2.445 4.043 2.608 1.00 65.43 H new ATOM 0 HG21 VAL A 4 2.554 2.945 -0.291 1.00 44.10 H new ATOM 0 HG22 VAL A 4 1.042 2.989 0.647 1.00 44.10 H new ATOM 0 HG23 VAL A 4 1.123 3.776 -0.948 1.00 44.10 H new ATOM 65 N LEU A 5 -0.939 4.261 1.534 1.00 64.31 N ATOM 66 CA LEU A 5 -1.719 3.313 2.314 1.00 31.23 C ATOM 67 C LEU A 5 -1.113 1.917 2.089 1.00 4.34 C ATOM 68 O LEU A 5 -1.366 1.276 1.061 1.00 73.01 O ATOM 69 CB LEU A 5 -3.198 3.369 1.861 1.00 72.53 C ATOM 70 CG LEU A 5 -4.205 2.540 2.715 1.00 52.33 C ATOM 71 CD1 LEU A 5 -4.244 3.036 4.175 1.00 51.32 C ATOM 72 CD2 LEU A 5 -5.610 2.550 2.071 1.00 2.32 C ATOM 0 H LEU A 5 -1.204 4.288 0.549 1.00 64.31 H new ATOM 0 HA LEU A 5 -1.691 3.552 3.377 1.00 31.23 H new ATOM 0 HB2 LEU A 5 -3.520 4.410 1.865 1.00 72.53 H new ATOM 0 HB3 LEU A 5 -3.255 3.022 0.829 1.00 72.53 H new ATOM 0 HG LEU A 5 -3.858 1.507 2.737 1.00 52.33 H new ATOM 0 HD11 LEU A 5 -4.956 2.437 4.744 1.00 51.32 H new ATOM 0 HD12 LEU A 5 -3.253 2.940 4.618 1.00 51.32 H new ATOM 0 HD13 LEU A 5 -4.551 4.082 4.196 1.00 51.32 H new ATOM 0 HD21 LEU A 5 -6.296 1.965 2.684 1.00 2.32 H new ATOM 0 HD22 LEU A 5 -5.971 3.576 2.001 1.00 2.32 H new ATOM 0 HD23 LEU A 5 -5.556 2.116 1.073 1.00 2.32 H new ATOM 84 N LEU A 6 -0.233 1.512 3.015 1.00 24.14 N ATOM 85 CA LEU A 6 0.415 0.194 3.000 1.00 14.01 C ATOM 86 C LEU A 6 -0.615 -0.885 3.403 1.00 64.05 C ATOM 87 O LEU A 6 -0.796 -1.180 4.590 1.00 12.25 O ATOM 88 CB LEU A 6 1.634 0.207 3.974 1.00 23.24 C ATOM 89 CG LEU A 6 2.492 -1.102 4.042 1.00 23.30 C ATOM 90 CD1 LEU A 6 3.170 -1.399 2.691 1.00 41.22 C ATOM 91 CD2 LEU A 6 3.525 -1.037 5.199 1.00 24.45 C ATOM 0 H LEU A 6 0.051 2.095 3.802 1.00 24.14 H new ATOM 0 HA LEU A 6 0.780 -0.038 1.999 1.00 14.01 H new ATOM 0 HB2 LEU A 6 2.290 1.030 3.688 1.00 23.24 H new ATOM 0 HB3 LEU A 6 1.267 0.426 4.977 1.00 23.24 H new ATOM 0 HG LEU A 6 1.817 -1.931 4.254 1.00 23.30 H new ATOM 0 HD11 LEU A 6 3.758 -2.313 2.772 1.00 41.22 H new ATOM 0 HD12 LEU A 6 2.408 -1.524 1.921 1.00 41.22 H new ATOM 0 HD13 LEU A 6 3.825 -0.570 2.422 1.00 41.22 H new ATOM 0 HD21 LEU A 6 4.105 -1.959 5.221 1.00 24.45 H new ATOM 0 HD22 LEU A 6 4.194 -0.191 5.042 1.00 24.45 H new ATOM 0 HD23 LEU A 6 3.002 -0.915 6.147 1.00 24.45 H new ATOM 103 N VAL A 7 -1.297 -1.444 2.396 1.00 63.51 N ATOM 104 CA VAL A 7 -2.325 -2.474 2.589 1.00 21.44 C ATOM 105 C VAL A 7 -1.656 -3.846 2.758 1.00 32.34 C ATOM 106 O VAL A 7 -1.139 -4.427 1.789 1.00 21.43 O ATOM 107 CB VAL A 7 -3.348 -2.522 1.391 1.00 64.31 C ATOM 108 CG1 VAL A 7 -4.492 -3.532 1.670 1.00 31.42 C ATOM 109 CG2 VAL A 7 -3.900 -1.113 1.072 1.00 24.21 C ATOM 0 H VAL A 7 -1.150 -1.193 1.418 1.00 63.51 H new ATOM 0 HA VAL A 7 -2.885 -2.218 3.488 1.00 21.44 H new ATOM 0 HB VAL A 7 -2.812 -2.871 0.508 1.00 64.31 H new ATOM 0 HG11 VAL A 7 -5.182 -3.543 0.826 1.00 31.42 H new ATOM 0 HG12 VAL A 7 -4.072 -4.528 1.808 1.00 31.42 H new ATOM 0 HG13 VAL A 7 -5.027 -3.235 2.572 1.00 31.42 H new ATOM 0 HG21 VAL A 7 -4.603 -1.177 0.242 1.00 24.21 H new ATOM 0 HG22 VAL A 7 -4.410 -0.715 1.949 1.00 24.21 H new ATOM 0 HG23 VAL A 7 -3.077 -0.453 0.800 1.00 24.21 H new ATOM 119 N ILE A 8 -1.622 -4.320 4.010 1.00 0.41 N ATOM 120 CA ILE A 8 -1.087 -5.631 4.372 1.00 61.20 C ATOM 121 C ILE A 8 -2.237 -6.608 4.645 1.00 74.21 C ATOM 122 O ILE A 8 -3.153 -6.297 5.426 1.00 33.54 O ATOM 123 CB ILE A 8 -0.171 -5.558 5.648 1.00 25.34 C ATOM 124 CG1 ILE A 8 0.849 -4.383 5.534 1.00 41.44 C ATOM 125 CG2 ILE A 8 0.560 -6.914 5.876 1.00 65.54 C ATOM 126 CD1 ILE A 8 1.761 -4.234 6.724 1.00 45.31 C ATOM 0 H ILE A 8 -1.972 -3.792 4.810 1.00 0.41 H new ATOM 0 HA ILE A 8 -0.484 -5.977 3.533 1.00 61.20 H new ATOM 0 HB ILE A 8 -0.805 -5.366 6.514 1.00 25.34 H new ATOM 0 HG12 ILE A 8 1.457 -4.531 4.642 1.00 41.44 H new ATOM 0 HG13 ILE A 8 0.299 -3.452 5.394 1.00 41.44 H new ATOM 0 HG21 ILE A 8 1.189 -6.844 6.763 1.00 65.54 H new ATOM 0 HG22 ILE A 8 -0.176 -7.705 6.015 1.00 65.54 H new ATOM 0 HG23 ILE A 8 1.180 -7.143 5.009 1.00 65.54 H new ATOM 0 HD11 ILE A 8 2.437 -3.395 6.561 1.00 45.31 H new ATOM 0 HD12 ILE A 8 1.165 -4.052 7.618 1.00 45.31 H new ATOM 0 HD13 ILE A 8 2.341 -5.147 6.854 1.00 45.31 H new ATOM 138 N SER A 9 -2.169 -7.776 4.007 1.00 42.45 N ATOM 139 CA SER A 9 -3.076 -8.895 4.254 1.00 33.42 C ATOM 140 C SER A 9 -2.308 -10.203 4.021 1.00 31.33 C ATOM 141 O SER A 9 -1.342 -10.238 3.247 1.00 0.40 O ATOM 142 CB SER A 9 -4.315 -8.818 3.329 1.00 70.23 C ATOM 143 OG SER A 9 -5.223 -9.885 3.561 1.00 61.43 O ATOM 0 H SER A 9 -1.470 -7.974 3.292 1.00 42.45 H new ATOM 0 HA SER A 9 -3.435 -8.854 5.282 1.00 33.42 H new ATOM 0 HB2 SER A 9 -4.825 -7.868 3.486 1.00 70.23 H new ATOM 0 HB3 SER A 9 -3.992 -8.838 2.288 1.00 70.23 H new ATOM 0 HG SER A 9 -5.991 -9.798 2.958 1.00 61.43 H new ATOM 149 N THR A 10 -2.722 -11.259 4.725 1.00 52.13 N ATOM 150 CA THR A 10 -2.181 -12.608 4.529 1.00 45.04 C ATOM 151 C THR A 10 -2.851 -13.249 3.299 1.00 3.21 C ATOM 152 O THR A 10 -2.209 -13.963 2.518 1.00 44.54 O ATOM 153 CB THR A 10 -2.413 -13.488 5.800 1.00 51.52 C ATOM 154 OG1 THR A 10 -1.921 -12.789 6.964 1.00 72.35 O ATOM 155 CG2 THR A 10 -1.718 -14.867 5.688 1.00 62.02 C ATOM 0 H THR A 10 -3.441 -11.204 5.447 1.00 52.13 H new ATOM 0 HA THR A 10 -1.106 -12.541 4.362 1.00 45.04 H new ATOM 0 HB THR A 10 -3.484 -13.667 5.891 1.00 51.52 H new ATOM 0 HG1 THR A 10 -2.067 -13.339 7.762 1.00 72.35 H new ATOM 0 HG21 THR A 10 -1.906 -15.444 6.593 1.00 62.02 H new ATOM 0 HG22 THR A 10 -2.113 -15.405 4.826 1.00 62.02 H new ATOM 0 HG23 THR A 10 -0.644 -14.724 5.565 1.00 62.02 H new ATOM 163 N ASP A 11 -4.159 -12.955 3.141 1.00 64.01 N ATOM 164 CA ASP A 11 -4.972 -13.454 2.030 1.00 31.54 C ATOM 165 C ASP A 11 -4.615 -12.702 0.745 1.00 75.21 C ATOM 166 O ASP A 11 -5.066 -11.570 0.549 1.00 71.24 O ATOM 167 CB ASP A 11 -6.479 -13.270 2.314 1.00 1.22 C ATOM 168 CG ASP A 11 -6.944 -13.960 3.592 1.00 20.43 C ATOM 169 OD1 ASP A 11 -7.280 -15.157 3.548 1.00 64.52 O ATOM 170 OD2 ASP A 11 -6.974 -13.307 4.647 1.00 70.32 O ATOM 0 H ASP A 11 -4.676 -12.361 3.789 1.00 64.01 H new ATOM 0 HA ASP A 11 -4.763 -14.517 1.914 1.00 31.54 H new ATOM 0 HB2 ASP A 11 -6.700 -12.205 2.384 1.00 1.22 H new ATOM 0 HB3 ASP A 11 -7.050 -13.660 1.471 1.00 1.22 H new ATOM 175 N THR A 12 -3.781 -13.324 -0.107 1.00 13.42 N ATOM 176 CA THR A 12 -3.496 -12.827 -1.474 1.00 53.53 C ATOM 177 C THR A 12 -4.776 -12.790 -2.332 1.00 41.22 C ATOM 178 O THR A 12 -4.863 -12.024 -3.288 1.00 54.10 O ATOM 179 CB THR A 12 -2.376 -13.682 -2.164 1.00 32.35 C ATOM 180 OG1 THR A 12 -2.686 -15.078 -2.054 1.00 73.13 O ATOM 181 CG2 THR A 12 -1.000 -13.418 -1.531 1.00 42.54 C ATOM 0 H THR A 12 -3.284 -14.184 0.127 1.00 13.42 H new ATOM 0 HA THR A 12 -3.127 -11.805 -1.386 1.00 53.53 H new ATOM 0 HB THR A 12 -2.336 -13.392 -3.214 1.00 32.35 H new ATOM 0 HG1 THR A 12 -1.983 -15.604 -2.489 1.00 73.13 H new ATOM 0 HG21 THR A 12 -0.246 -14.026 -2.032 1.00 42.54 H new ATOM 0 HG22 THR A 12 -0.746 -12.363 -1.639 1.00 42.54 H new ATOM 0 HG23 THR A 12 -1.031 -13.677 -0.473 1.00 42.54 H new ATOM 189 N ASN A 13 -5.764 -13.623 -1.938 1.00 20.21 N ATOM 190 CA ASN A 13 -7.142 -13.590 -2.467 1.00 12.25 C ATOM 191 C ASN A 13 -7.752 -12.190 -2.282 1.00 3.32 C ATOM 192 O ASN A 13 -8.236 -11.593 -3.242 1.00 23.05 O ATOM 193 CB ASN A 13 -8.002 -14.671 -1.743 1.00 33.23 C ATOM 194 CG ASN A 13 -9.470 -14.788 -2.217 1.00 44.35 C ATOM 195 OD1 ASN A 13 -10.163 -13.803 -2.478 1.00 45.34 O ATOM 196 ND2 ASN A 13 -9.953 -16.006 -2.355 1.00 51.43 N ATOM 0 H ASN A 13 -5.623 -14.347 -1.233 1.00 20.21 H new ATOM 0 HA ASN A 13 -7.125 -13.810 -3.534 1.00 12.25 H new ATOM 0 HB2 ASN A 13 -7.519 -15.640 -1.873 1.00 33.23 H new ATOM 0 HB3 ASN A 13 -8.001 -14.455 -0.675 1.00 33.23 H new ATOM 0 HD21 ASN A 13 -10.910 -16.141 -2.681 1.00 51.43 H new ATOM 0 HD22 ASN A 13 -9.370 -16.814 -2.136 1.00 51.43 H new ATOM 203 N ILE A 14 -7.695 -11.679 -1.035 1.00 64.11 N ATOM 204 CA ILE A 14 -8.315 -10.394 -0.658 1.00 72.21 C ATOM 205 C ILE A 14 -7.474 -9.201 -1.164 1.00 40.45 C ATOM 206 O ILE A 14 -8.030 -8.157 -1.517 1.00 52.34 O ATOM 207 CB ILE A 14 -8.550 -10.327 0.898 1.00 73.34 C ATOM 208 CG1 ILE A 14 -9.477 -11.504 1.360 1.00 1.15 C ATOM 209 CG2 ILE A 14 -9.131 -8.963 1.339 1.00 1.15 C ATOM 210 CD1 ILE A 14 -10.852 -11.558 0.701 1.00 15.14 C ATOM 0 H ILE A 14 -7.219 -12.145 -0.263 1.00 64.11 H new ATOM 0 HA ILE A 14 -9.289 -10.327 -1.142 1.00 72.21 H new ATOM 0 HB ILE A 14 -7.579 -10.432 1.382 1.00 73.34 H new ATOM 0 HG12 ILE A 14 -8.963 -12.445 1.165 1.00 1.15 H new ATOM 0 HG13 ILE A 14 -9.614 -11.433 2.439 1.00 1.15 H new ATOM 0 HG21 ILE A 14 -9.277 -8.962 2.419 1.00 1.15 H new ATOM 0 HG22 ILE A 14 -8.438 -8.167 1.065 1.00 1.15 H new ATOM 0 HG23 ILE A 14 -10.088 -8.798 0.844 1.00 1.15 H new ATOM 0 HD11 ILE A 14 -11.410 -12.409 1.092 1.00 15.14 H new ATOM 0 HD12 ILE A 14 -11.395 -10.638 0.917 1.00 15.14 H new ATOM 0 HD13 ILE A 14 -10.735 -11.666 -0.377 1.00 15.14 H new ATOM 222 N ILE A 15 -6.141 -9.385 -1.226 1.00 3.15 N ATOM 223 CA ILE A 15 -5.213 -8.397 -1.816 1.00 2.01 C ATOM 224 C ILE A 15 -5.573 -8.148 -3.296 1.00 43.31 C ATOM 225 O ILE A 15 -5.734 -7.001 -3.722 1.00 21.42 O ATOM 226 CB ILE A 15 -3.719 -8.892 -1.687 1.00 34.02 C ATOM 227 CG1 ILE A 15 -3.317 -8.963 -0.181 1.00 21.34 C ATOM 228 CG2 ILE A 15 -2.733 -8.010 -2.499 1.00 72.33 C ATOM 229 CD1 ILE A 15 -1.977 -9.603 0.093 1.00 41.11 C ATOM 0 H ILE A 15 -5.677 -10.220 -0.870 1.00 3.15 H new ATOM 0 HA ILE A 15 -5.310 -7.459 -1.269 1.00 2.01 H new ATOM 0 HB ILE A 15 -3.655 -9.891 -2.118 1.00 34.02 H new ATOM 0 HG12 ILE A 15 -3.309 -7.952 0.225 1.00 21.34 H new ATOM 0 HG13 ILE A 15 -4.085 -9.518 0.359 1.00 21.34 H new ATOM 0 HG21 ILE A 15 -1.719 -8.391 -2.378 1.00 72.33 H new ATOM 0 HG22 ILE A 15 -3.006 -8.035 -3.554 1.00 72.33 H new ATOM 0 HG23 ILE A 15 -2.780 -6.983 -2.136 1.00 72.33 H new ATOM 0 HD11 ILE A 15 -1.788 -9.605 1.166 1.00 41.11 H new ATOM 0 HD12 ILE A 15 -1.981 -10.628 -0.277 1.00 41.11 H new ATOM 0 HD13 ILE A 15 -1.194 -9.038 -0.412 1.00 41.11 H new ATOM 241 N SER A 16 -5.746 -9.261 -4.039 1.00 20.54 N ATOM 242 CA SER A 16 -6.106 -9.253 -5.459 1.00 32.54 C ATOM 243 C SER A 16 -7.545 -8.741 -5.649 1.00 63.45 C ATOM 244 O SER A 16 -7.825 -7.996 -6.598 1.00 73.54 O ATOM 245 CB SER A 16 -5.938 -10.677 -6.050 1.00 54.10 C ATOM 246 OG SER A 16 -6.215 -10.699 -7.440 1.00 11.13 O ATOM 0 H SER A 16 -5.636 -10.200 -3.657 1.00 20.54 H new ATOM 0 HA SER A 16 -5.440 -8.575 -5.992 1.00 32.54 H new ATOM 0 HB2 SER A 16 -4.921 -11.027 -5.875 1.00 54.10 H new ATOM 0 HB3 SER A 16 -6.605 -11.367 -5.534 1.00 54.10 H new ATOM 0 HG SER A 16 -6.288 -9.780 -7.774 1.00 11.13 H new ATOM 252 N SER A 17 -8.441 -9.128 -4.708 1.00 33.32 N ATOM 253 CA SER A 17 -9.858 -8.740 -4.732 1.00 43.13 C ATOM 254 C SER A 17 -9.978 -7.214 -4.733 1.00 55.25 C ATOM 255 O SER A 17 -10.405 -6.618 -5.731 1.00 44.03 O ATOM 256 CB SER A 17 -10.613 -9.350 -3.521 1.00 12.34 C ATOM 257 OG SER A 17 -12.001 -9.108 -3.599 1.00 13.41 O ATOM 0 H SER A 17 -8.193 -9.718 -3.914 1.00 33.32 H new ATOM 0 HA SER A 17 -10.315 -9.129 -5.642 1.00 43.13 H new ATOM 0 HB2 SER A 17 -10.432 -10.424 -3.482 1.00 12.34 H new ATOM 0 HB3 SER A 17 -10.221 -8.927 -2.596 1.00 12.34 H new ATOM 0 HG SER A 17 -12.401 -9.210 -2.710 1.00 13.41 H new ATOM 263 N VAL A 18 -9.463 -6.610 -3.651 1.00 35.24 N ATOM 264 CA VAL A 18 -9.579 -5.174 -3.373 1.00 23.42 C ATOM 265 C VAL A 18 -8.792 -4.326 -4.375 1.00 0.43 C ATOM 266 O VAL A 18 -9.245 -3.243 -4.749 1.00 73.22 O ATOM 267 CB VAL A 18 -9.087 -4.862 -1.918 1.00 31.43 C ATOM 268 CG1 VAL A 18 -9.138 -3.344 -1.608 1.00 15.51 C ATOM 269 CG2 VAL A 18 -9.906 -5.679 -0.900 1.00 64.14 C ATOM 0 H VAL A 18 -8.945 -7.117 -2.933 1.00 35.24 H new ATOM 0 HA VAL A 18 -10.633 -4.912 -3.471 1.00 23.42 H new ATOM 0 HB VAL A 18 -8.042 -5.160 -1.837 1.00 31.43 H new ATOM 0 HG11 VAL A 18 -8.789 -3.169 -0.590 1.00 15.51 H new ATOM 0 HG12 VAL A 18 -8.498 -2.808 -2.308 1.00 15.51 H new ATOM 0 HG13 VAL A 18 -10.163 -2.987 -1.707 1.00 15.51 H new ATOM 0 HG21 VAL A 18 -9.558 -5.457 0.109 1.00 64.14 H new ATOM 0 HG22 VAL A 18 -10.960 -5.416 -0.987 1.00 64.14 H new ATOM 0 HG23 VAL A 18 -9.780 -6.743 -1.101 1.00 64.14 H new ATOM 279 N GLN A 19 -7.617 -4.827 -4.802 1.00 72.44 N ATOM 280 CA GLN A 19 -6.742 -4.101 -5.734 1.00 74.43 C ATOM 281 C GLN A 19 -7.471 -3.820 -7.051 1.00 21.00 C ATOM 282 O GLN A 19 -7.518 -2.673 -7.501 1.00 5.42 O ATOM 283 CB GLN A 19 -5.445 -4.889 -5.988 1.00 13.23 C ATOM 284 CG GLN A 19 -4.410 -4.155 -6.855 1.00 72.12 C ATOM 285 CD GLN A 19 -3.126 -4.948 -7.094 1.00 44.20 C ATOM 286 OE1 GLN A 19 -2.689 -5.739 -6.117 1.00 74.32 O flip ATOM 287 NE2 GLN A 19 -2.502 -4.832 -8.152 1.00 4.34 N flip ATOM 0 H GLN A 19 -7.254 -5.735 -4.513 1.00 72.44 H new ATOM 0 HA GLN A 19 -6.477 -3.146 -5.280 1.00 74.43 H new ATOM 0 HB2 GLN A 19 -4.989 -5.132 -5.028 1.00 13.23 H new ATOM 0 HB3 GLN A 19 -5.698 -5.834 -6.469 1.00 13.23 H new ATOM 0 HG2 GLN A 19 -4.862 -3.916 -7.818 1.00 72.12 H new ATOM 0 HG3 GLN A 19 -4.157 -3.208 -6.378 1.00 72.12 H new ATOM 0 HE21 GLN A 19 -2.855 -4.220 -8.888 1.00 4.34 H new ATOM 0 HE22 GLN A 19 -1.633 -5.348 -8.291 1.00 4.34 H new ATOM 296 N GLU A 20 -8.082 -4.873 -7.625 1.00 24.23 N ATOM 297 CA GLU A 20 -8.872 -4.751 -8.858 1.00 13.22 C ATOM 298 C GLU A 20 -10.180 -3.968 -8.624 1.00 25.33 C ATOM 299 O GLU A 20 -10.592 -3.227 -9.507 1.00 33.03 O ATOM 300 CB GLU A 20 -9.166 -6.138 -9.499 1.00 20.14 C ATOM 301 CG GLU A 20 -8.011 -6.744 -10.339 1.00 50.45 C ATOM 302 CD GLU A 20 -6.781 -7.180 -9.523 1.00 75.11 C ATOM 303 OE1 GLU A 20 -5.916 -6.336 -9.206 1.00 75.11 O ATOM 304 OE2 GLU A 20 -6.664 -8.379 -9.212 1.00 1.51 O ATOM 0 H GLU A 20 -8.041 -5.821 -7.250 1.00 24.23 H new ATOM 0 HA GLU A 20 -8.264 -4.183 -9.562 1.00 13.22 H new ATOM 0 HB2 GLU A 20 -9.421 -6.839 -8.704 1.00 20.14 H new ATOM 0 HB3 GLU A 20 -10.045 -6.045 -10.136 1.00 20.14 H new ATOM 0 HG2 GLU A 20 -8.392 -7.607 -10.886 1.00 50.45 H new ATOM 0 HG3 GLU A 20 -7.696 -6.010 -11.081 1.00 50.45 H new ATOM 311 N ARG A 21 -10.820 -4.116 -7.431 1.00 51.42 N ATOM 312 CA ARG A 21 -12.035 -3.325 -7.080 1.00 61.34 C ATOM 313 C ARG A 21 -11.724 -1.828 -7.146 1.00 22.22 C ATOM 314 O ARG A 21 -12.489 -1.040 -7.698 1.00 22.05 O ATOM 315 CB ARG A 21 -12.558 -3.666 -5.657 1.00 13.12 C ATOM 316 CG ARG A 21 -13.087 -5.096 -5.482 1.00 61.12 C ATOM 317 CD ARG A 21 -13.537 -5.365 -4.040 1.00 0.02 C ATOM 318 NE ARG A 21 -13.833 -6.783 -3.802 1.00 63.41 N ATOM 319 CZ ARG A 21 -14.733 -7.250 -2.926 1.00 0.45 C ATOM 320 NH1 ARG A 21 -15.462 -6.419 -2.188 1.00 73.44 N ATOM 321 NH2 ARG A 21 -14.883 -8.553 -2.780 1.00 45.11 N ATOM 0 H ARG A 21 -10.520 -4.766 -6.705 1.00 51.42 H new ATOM 0 HA ARG A 21 -12.808 -3.584 -7.803 1.00 61.34 H new ATOM 0 HB2 ARG A 21 -11.751 -3.504 -4.942 1.00 13.12 H new ATOM 0 HB3 ARG A 21 -13.355 -2.967 -5.403 1.00 13.12 H new ATOM 0 HG2 ARG A 21 -13.924 -5.259 -6.160 1.00 61.12 H new ATOM 0 HG3 ARG A 21 -12.309 -5.808 -5.759 1.00 61.12 H new ATOM 0 HD2 ARG A 21 -12.757 -5.039 -3.352 1.00 0.02 H new ATOM 0 HD3 ARG A 21 -14.424 -4.770 -3.822 1.00 0.02 H new ATOM 0 HE ARG A 21 -13.311 -7.469 -4.348 1.00 63.41 H new ATOM 0 HH11 ARG A 21 -15.340 -5.411 -2.284 1.00 73.44 H new ATOM 0 HH12 ARG A 21 -16.143 -6.789 -1.525 1.00 73.44 H new ATOM 0 HH21 ARG A 21 -14.316 -9.197 -3.332 1.00 45.11 H new ATOM 0 HH22 ARG A 21 -15.566 -8.916 -2.115 1.00 45.11 H new ATOM 335 N ALA A 22 -10.546 -1.485 -6.603 1.00 64.40 N ATOM 336 CA ALA A 22 -10.062 -0.112 -6.505 1.00 25.43 C ATOM 337 C ALA A 22 -9.569 0.397 -7.865 1.00 24.22 C ATOM 338 O ALA A 22 -9.618 1.587 -8.123 1.00 32.33 O ATOM 339 CB ALA A 22 -8.945 -0.027 -5.448 1.00 75.45 C ATOM 0 H ALA A 22 -9.897 -2.170 -6.215 1.00 64.40 H new ATOM 0 HA ALA A 22 -10.888 0.528 -6.196 1.00 25.43 H new ATOM 0 HB1 ALA A 22 -8.587 1.000 -5.379 1.00 75.45 H new ATOM 0 HB2 ALA A 22 -9.335 -0.341 -4.480 1.00 75.45 H new ATOM 0 HB3 ALA A 22 -8.121 -0.680 -5.736 1.00 75.45 H new ATOM 345 N LYS A 23 -9.068 -0.515 -8.727 1.00 35.32 N ATOM 346 CA LYS A 23 -8.584 -0.158 -10.081 1.00 52.10 C ATOM 347 C LYS A 23 -9.720 -0.095 -11.119 1.00 24.32 C ATOM 348 O LYS A 23 -9.585 0.578 -12.134 1.00 52.13 O ATOM 349 CB LYS A 23 -7.464 -1.127 -10.547 1.00 63.22 C ATOM 350 CG LYS A 23 -6.133 -0.938 -9.793 1.00 21.43 C ATOM 351 CD LYS A 23 -5.001 -1.828 -10.343 1.00 4.00 C ATOM 352 CE LYS A 23 -3.649 -1.529 -9.682 1.00 4.03 C ATOM 353 NZ LYS A 23 -3.206 -0.129 -9.923 1.00 43.24 N ATOM 0 H LYS A 23 -8.988 -1.508 -8.509 1.00 35.32 H new ATOM 0 HA LYS A 23 -8.166 0.846 -10.008 1.00 52.10 H new ATOM 0 HB2 LYS A 23 -7.805 -2.154 -10.414 1.00 63.22 H new ATOM 0 HB3 LYS A 23 -7.291 -0.984 -11.614 1.00 63.22 H new ATOM 0 HG2 LYS A 23 -5.830 0.107 -9.857 1.00 21.43 H new ATOM 0 HG3 LYS A 23 -6.284 -1.162 -8.737 1.00 21.43 H new ATOM 0 HD2 LYS A 23 -5.256 -2.876 -10.184 1.00 4.00 H new ATOM 0 HD3 LYS A 23 -4.917 -1.680 -11.420 1.00 4.00 H new ATOM 0 HE2 LYS A 23 -3.724 -1.706 -8.609 1.00 4.03 H new ATOM 0 HE3 LYS A 23 -2.897 -2.218 -10.067 1.00 4.03 H new ATOM 0 HZ1 LYS A 23 -2.471 0.126 -9.232 1.00 43.24 H new ATOM 0 HZ2 LYS A 23 -2.820 -0.048 -10.885 1.00 43.24 H new ATOM 0 HZ3 LYS A 23 -4.017 0.514 -9.820 1.00 43.24 H new ATOM 367 N HIS A 24 -10.831 -0.815 -10.888 1.00 33.12 N ATOM 368 CA HIS A 24 -12.013 -0.759 -11.784 1.00 41.24 C ATOM 369 C HIS A 24 -12.885 0.448 -11.404 1.00 62.52 C ATOM 370 O HIS A 24 -13.428 1.143 -12.278 1.00 23.25 O ATOM 371 CB HIS A 24 -12.844 -2.077 -11.735 1.00 41.43 C ATOM 372 CG HIS A 24 -12.219 -3.253 -12.453 1.00 64.03 C ATOM 373 ND1 HIS A 24 -12.162 -3.350 -13.829 1.00 3.45 N ATOM 374 CD2 HIS A 24 -11.651 -4.394 -11.987 1.00 21.33 C ATOM 375 CE1 HIS A 24 -11.592 -4.486 -14.166 1.00 42.33 C ATOM 376 NE2 HIS A 24 -11.272 -5.135 -13.068 1.00 5.31 N ATOM 0 H HIS A 24 -10.941 -1.443 -10.092 1.00 33.12 H new ATOM 0 HA HIS A 24 -11.660 -0.645 -12.809 1.00 41.24 H new ATOM 0 HB2 HIS A 24 -13.003 -2.350 -10.692 1.00 41.43 H new ATOM 0 HB3 HIS A 24 -13.826 -1.886 -12.168 1.00 41.43 H new ATOM 0 HD2 HIS A 24 -11.522 -4.666 -10.950 1.00 21.33 H new ATOM 0 HE1 HIS A 24 -11.416 -4.828 -15.175 1.00 42.33 H new ATOM 0 HE2 HIS A 24 -10.814 -6.046 -13.031 1.00 5.31 H new ATOM 385 N ASN A 25 -12.992 0.693 -10.085 1.00 21.34 N ATOM 386 CA ASN A 25 -13.746 1.835 -9.539 1.00 13.11 C ATOM 387 C ASN A 25 -12.949 3.138 -9.751 1.00 43.21 C ATOM 388 O ASN A 25 -13.532 4.193 -10.006 1.00 14.03 O ATOM 389 CB ASN A 25 -14.076 1.606 -8.031 1.00 30.04 C ATOM 390 CG ASN A 25 -15.088 2.601 -7.433 1.00 33.51 C ATOM 391 OD1 ASN A 25 -15.006 2.954 -6.254 1.00 52.52 O ATOM 392 ND2 ASN A 25 -16.072 3.038 -8.216 1.00 33.41 N ATOM 0 H ASN A 25 -12.560 0.107 -9.371 1.00 21.34 H new ATOM 0 HA ASN A 25 -14.694 1.924 -10.070 1.00 13.11 H new ATOM 0 HB2 ASN A 25 -14.465 0.595 -7.908 1.00 30.04 H new ATOM 0 HB3 ASN A 25 -13.150 1.663 -7.458 1.00 30.04 H new ATOM 0 HD21 ASN A 25 -16.775 3.676 -7.843 1.00 33.41 H new ATOM 0 HD22 ASN A 25 -16.123 2.735 -9.189 1.00 33.41 H new ATOM 399 N TYR A 26 -11.603 3.036 -9.661 1.00 5.43 N ATOM 400 CA TYR A 26 -10.669 4.167 -9.887 1.00 73.10 C ATOM 401 C TYR A 26 -9.589 3.737 -10.915 1.00 34.20 C ATOM 402 O TYR A 26 -8.497 3.297 -10.525 1.00 51.04 O ATOM 403 CB TYR A 26 -10.030 4.619 -8.542 1.00 22.12 C ATOM 404 CG TYR A 26 -11.049 4.869 -7.424 1.00 42.43 C ATOM 405 CD1 TYR A 26 -11.898 5.980 -7.463 1.00 14.11 C ATOM 406 CD2 TYR A 26 -11.197 3.976 -6.352 1.00 55.32 C ATOM 407 CE1 TYR A 26 -12.857 6.182 -6.492 1.00 44.41 C ATOM 408 CE2 TYR A 26 -12.148 4.189 -5.374 1.00 55.30 C ATOM 409 CZ TYR A 26 -12.974 5.291 -5.455 1.00 3.54 C ATOM 410 OH TYR A 26 -13.947 5.489 -4.508 1.00 33.24 O ATOM 0 H TYR A 26 -11.130 2.163 -9.428 1.00 5.43 H new ATOM 0 HA TYR A 26 -11.213 5.021 -10.291 1.00 73.10 H new ATOM 0 HB2 TYR A 26 -9.323 3.857 -8.213 1.00 22.12 H new ATOM 0 HB3 TYR A 26 -9.459 5.532 -8.711 1.00 22.12 H new ATOM 0 HD1 TYR A 26 -11.801 6.693 -8.268 1.00 14.11 H new ATOM 0 HD2 TYR A 26 -10.557 3.108 -6.291 1.00 55.32 H new ATOM 0 HE1 TYR A 26 -13.513 7.038 -6.548 1.00 44.41 H new ATOM 0 HE2 TYR A 26 -12.245 3.497 -4.550 1.00 55.30 H new ATOM 0 HH TYR A 26 -14.808 5.172 -4.852 1.00 33.24 H new ATOM 420 N PRO A 27 -9.914 3.796 -12.256 1.00 43.52 N ATOM 421 CA PRO A 27 -8.995 3.347 -13.339 1.00 42.31 C ATOM 422 C PRO A 27 -7.685 4.164 -13.378 1.00 11.14 C ATOM 423 O PRO A 27 -6.592 3.620 -13.151 1.00 22.40 O ATOM 424 CB PRO A 27 -9.842 3.516 -14.632 1.00 74.11 C ATOM 425 CG PRO A 27 -11.266 3.566 -14.153 1.00 11.54 C ATOM 426 CD PRO A 27 -11.204 4.276 -12.823 1.00 30.01 C ATOM 0 HA PRO A 27 -8.653 2.322 -13.197 1.00 42.31 H new ATOM 0 HB2 PRO A 27 -9.572 4.427 -15.166 1.00 74.11 H new ATOM 0 HB3 PRO A 27 -9.685 2.685 -15.320 1.00 74.11 H new ATOM 0 HG2 PRO A 27 -11.901 4.102 -14.858 1.00 11.54 H new ATOM 0 HG3 PRO A 27 -11.683 2.564 -14.047 1.00 11.54 H new ATOM 0 HD2 PRO A 27 -11.216 5.359 -12.941 1.00 30.01 H new ATOM 0 HD3 PRO A 27 -12.049 4.016 -12.185 1.00 30.01 H new ATOM 434 N GLY A 28 -7.820 5.477 -13.639 1.00 32.31 N ATOM 435 CA GLY A 28 -6.693 6.403 -13.600 1.00 51.55 C ATOM 436 C GLY A 28 -6.437 6.890 -12.183 1.00 12.22 C ATOM 437 O GLY A 28 -6.882 7.983 -11.802 1.00 12.05 O ATOM 0 H GLY A 28 -8.709 5.915 -13.880 1.00 32.31 H new ATOM 0 HA2 GLY A 28 -5.800 5.911 -13.986 1.00 51.55 H new ATOM 0 HA3 GLY A 28 -6.895 7.254 -14.250 1.00 51.55 H new ATOM 441 N ARG A 29 -5.734 6.063 -11.388 1.00 40.23 N ATOM 442 CA ARG A 29 -5.472 6.332 -9.963 1.00 2.22 C ATOM 443 C ARG A 29 -4.079 5.813 -9.576 1.00 30.35 C ATOM 444 O ARG A 29 -3.588 4.854 -10.175 1.00 52.43 O ATOM 445 CB ARG A 29 -6.545 5.638 -9.086 1.00 11.02 C ATOM 446 CG ARG A 29 -6.688 6.223 -7.668 1.00 2.54 C ATOM 447 CD ARG A 29 -7.229 7.665 -7.701 1.00 3.01 C ATOM 448 NE ARG A 29 -8.501 7.759 -8.445 1.00 63.43 N ATOM 449 CZ ARG A 29 -9.086 8.886 -8.871 1.00 71.14 C ATOM 450 NH1 ARG A 29 -8.543 10.078 -8.630 1.00 2.42 N ATOM 451 NH2 ARG A 29 -10.221 8.813 -9.559 1.00 3.15 N ATOM 0 H ARG A 29 -5.330 5.186 -11.718 1.00 40.23 H new ATOM 0 HA ARG A 29 -5.513 7.409 -9.797 1.00 2.22 H new ATOM 0 HB2 ARG A 29 -7.508 5.705 -9.592 1.00 11.02 H new ATOM 0 HB3 ARG A 29 -6.300 4.579 -9.005 1.00 11.02 H new ATOM 0 HG2 ARG A 29 -7.359 5.596 -7.081 1.00 2.54 H new ATOM 0 HG3 ARG A 29 -5.719 6.209 -7.169 1.00 2.54 H new ATOM 0 HD2 ARG A 29 -7.378 8.020 -6.681 1.00 3.01 H new ATOM 0 HD3 ARG A 29 -6.490 8.320 -8.162 1.00 3.01 H new ATOM 0 HE ARG A 29 -8.979 6.883 -8.654 1.00 63.43 H new ATOM 0 HH11 ARG A 29 -7.666 10.144 -8.113 1.00 2.42 H new ATOM 0 HH12 ARG A 29 -9.004 10.925 -8.963 1.00 2.42 H new ATOM 0 HH21 ARG A 29 -10.639 7.904 -9.758 1.00 3.15 H new ATOM 0 HH22 ARG A 29 -10.674 9.666 -9.888 1.00 3.15 H new ATOM 465 N GLU A 30 -3.465 6.445 -8.560 1.00 34.11 N ATOM 466 CA GLU A 30 -2.154 6.050 -8.043 1.00 30.31 C ATOM 467 C GLU A 30 -2.295 4.886 -7.037 1.00 12.20 C ATOM 468 O GLU A 30 -2.513 5.096 -5.841 1.00 44.55 O ATOM 469 CB GLU A 30 -1.426 7.284 -7.427 1.00 31.31 C ATOM 470 CG GLU A 30 -1.174 8.432 -8.431 1.00 44.14 C ATOM 471 CD GLU A 30 -0.417 7.959 -9.695 1.00 41.33 C ATOM 472 OE1 GLU A 30 0.734 7.489 -9.566 1.00 64.43 O ATOM 473 OE2 GLU A 30 -0.974 8.028 -10.816 1.00 60.22 O ATOM 0 H GLU A 30 -3.870 7.246 -8.076 1.00 34.11 H new ATOM 0 HA GLU A 30 -1.537 5.685 -8.864 1.00 30.31 H new ATOM 0 HB2 GLU A 30 -2.020 7.666 -6.596 1.00 31.31 H new ATOM 0 HB3 GLU A 30 -0.471 6.960 -7.014 1.00 31.31 H new ATOM 0 HG2 GLU A 30 -2.128 8.869 -8.725 1.00 44.14 H new ATOM 0 HG3 GLU A 30 -0.601 9.219 -7.941 1.00 44.14 H new ATOM 480 N ILE A 31 -2.226 3.652 -7.572 1.00 71.44 N ATOM 481 CA ILE A 31 -2.296 2.394 -6.800 1.00 44.31 C ATOM 482 C ILE A 31 -1.160 1.453 -7.271 1.00 54.35 C ATOM 483 O ILE A 31 -1.016 1.219 -8.479 1.00 71.11 O ATOM 484 CB ILE A 31 -3.691 1.675 -6.994 1.00 1.01 C ATOM 485 CG1 ILE A 31 -4.870 2.600 -6.537 1.00 25.33 C ATOM 486 CG2 ILE A 31 -3.728 0.311 -6.251 1.00 33.21 C ATOM 487 CD1 ILE A 31 -6.255 2.054 -6.824 1.00 12.34 C ATOM 0 H ILE A 31 -2.118 3.497 -8.574 1.00 71.44 H new ATOM 0 HA ILE A 31 -2.183 2.629 -5.742 1.00 44.31 H new ATOM 0 HB ILE A 31 -3.817 1.476 -8.058 1.00 1.01 H new ATOM 0 HG12 ILE A 31 -4.780 2.777 -5.465 1.00 25.33 H new ATOM 0 HG13 ILE A 31 -4.767 3.567 -7.030 1.00 25.33 H new ATOM 0 HG21 ILE A 31 -4.699 -0.160 -6.403 1.00 33.21 H new ATOM 0 HG22 ILE A 31 -2.945 -0.338 -6.643 1.00 33.21 H new ATOM 0 HG23 ILE A 31 -3.566 0.473 -5.185 1.00 33.21 H new ATOM 0 HD11 ILE A 31 -7.005 2.762 -6.473 1.00 12.34 H new ATOM 0 HD12 ILE A 31 -6.372 1.904 -7.897 1.00 12.34 H new ATOM 0 HD13 ILE A 31 -6.385 1.102 -6.309 1.00 12.34 H new ATOM 499 N ARG A 32 -0.364 0.922 -6.323 1.00 11.54 N ATOM 500 CA ARG A 32 0.785 0.028 -6.617 1.00 45.23 C ATOM 501 C ARG A 32 0.680 -1.298 -5.836 1.00 73.54 C ATOM 502 O ARG A 32 -0.248 -1.506 -5.047 1.00 51.13 O ATOM 503 CB ARG A 32 2.127 0.737 -6.271 1.00 43.10 C ATOM 504 CG ARG A 32 2.498 1.915 -7.195 1.00 42.15 C ATOM 505 CD ARG A 32 2.736 1.479 -8.655 1.00 1.11 C ATOM 506 NE ARG A 32 3.056 2.621 -9.529 1.00 24.44 N ATOM 507 CZ ARG A 32 3.976 2.619 -10.505 1.00 45.15 C ATOM 508 NH1 ARG A 32 4.695 1.536 -10.762 1.00 21.31 N ATOM 509 NH2 ARG A 32 4.163 3.710 -11.234 1.00 4.21 N ATOM 0 H ARG A 32 -0.496 1.098 -5.327 1.00 11.54 H new ATOM 0 HA ARG A 32 0.762 -0.199 -7.683 1.00 45.23 H new ATOM 0 HB2 ARG A 32 2.074 1.102 -5.245 1.00 43.10 H new ATOM 0 HB3 ARG A 32 2.930 0.000 -6.306 1.00 43.10 H new ATOM 0 HG2 ARG A 32 1.700 2.657 -7.168 1.00 42.15 H new ATOM 0 HG3 ARG A 32 3.397 2.400 -6.814 1.00 42.15 H new ATOM 0 HD2 ARG A 32 3.552 0.757 -8.689 1.00 1.11 H new ATOM 0 HD3 ARG A 32 1.847 0.973 -9.031 1.00 1.11 H new ATOM 0 HE ARG A 32 2.535 3.485 -9.379 1.00 24.44 H new ATOM 0 HH11 ARG A 32 4.553 0.688 -10.214 1.00 21.31 H new ATOM 0 HH12 ARG A 32 5.391 1.551 -11.508 1.00 21.31 H new ATOM 0 HH21 ARG A 32 3.608 4.546 -11.052 1.00 4.21 H new ATOM 0 HH22 ARG A 32 4.862 3.713 -11.977 1.00 4.21 H new ATOM 523 N THR A 33 1.645 -2.193 -6.109 1.00 1.42 N ATOM 524 CA THR A 33 1.800 -3.486 -5.434 1.00 10.43 C ATOM 525 C THR A 33 3.292 -3.727 -5.143 1.00 32.23 C ATOM 526 O THR A 33 4.124 -3.630 -6.054 1.00 3.33 O ATOM 527 CB THR A 33 1.251 -4.656 -6.330 1.00 44.14 C ATOM 528 OG1 THR A 33 -0.127 -4.421 -6.636 1.00 2.12 O ATOM 529 CG2 THR A 33 1.383 -6.040 -5.659 1.00 53.10 C ATOM 0 H THR A 33 2.355 -2.030 -6.823 1.00 1.42 H new ATOM 0 HA THR A 33 1.231 -3.465 -4.504 1.00 10.43 H new ATOM 0 HB THR A 33 1.857 -4.669 -7.236 1.00 44.14 H new ATOM 0 HG1 THR A 33 -0.684 -5.065 -6.151 1.00 2.12 H new ATOM 0 HG21 THR A 33 0.987 -6.807 -6.325 1.00 53.10 H new ATOM 0 HG22 THR A 33 2.433 -6.246 -5.452 1.00 53.10 H new ATOM 0 HG23 THR A 33 0.821 -6.046 -4.725 1.00 53.10 H new ATOM 537 N ALA A 34 3.628 -4.016 -3.879 1.00 11.10 N ATOM 538 CA ALA A 34 4.991 -4.394 -3.479 1.00 65.01 C ATOM 539 C ALA A 34 5.068 -5.918 -3.329 1.00 14.25 C ATOM 540 O ALA A 34 4.354 -6.508 -2.507 1.00 71.44 O ATOM 541 CB ALA A 34 5.386 -3.689 -2.179 1.00 4.04 C ATOM 0 H ALA A 34 2.964 -3.995 -3.105 1.00 11.10 H new ATOM 0 HA ALA A 34 5.696 -4.079 -4.248 1.00 65.01 H new ATOM 0 HB1 ALA A 34 6.398 -3.982 -1.899 1.00 4.04 H new ATOM 0 HB2 ALA A 34 5.348 -2.609 -2.324 1.00 4.04 H new ATOM 0 HB3 ALA A 34 4.694 -3.973 -1.386 1.00 4.04 H new ATOM 547 N THR A 35 5.907 -6.540 -4.159 1.00 33.14 N ATOM 548 CA THR A 35 6.118 -7.998 -4.175 1.00 42.42 C ATOM 549 C THR A 35 7.374 -8.356 -3.347 1.00 40.32 C ATOM 550 O THR A 35 7.383 -9.349 -2.611 1.00 74.33 O ATOM 551 CB THR A 35 6.244 -8.500 -5.657 1.00 63.51 C ATOM 552 OG1 THR A 35 5.097 -8.051 -6.415 1.00 11.13 O ATOM 553 CG2 THR A 35 6.351 -10.037 -5.761 1.00 3.24 C ATOM 0 H THR A 35 6.469 -6.043 -4.850 1.00 33.14 H new ATOM 0 HA THR A 35 5.263 -8.498 -3.721 1.00 42.42 H new ATOM 0 HB THR A 35 7.166 -8.081 -6.061 1.00 63.51 H new ATOM 0 HG1 THR A 35 5.175 -8.362 -7.341 1.00 11.13 H new ATOM 0 HG21 THR A 35 6.436 -10.326 -6.809 1.00 3.24 H new ATOM 0 HG22 THR A 35 7.233 -10.378 -5.218 1.00 3.24 H new ATOM 0 HG23 THR A 35 5.460 -10.494 -5.330 1.00 3.24 H new ATOM 561 N SER A 36 8.409 -7.510 -3.447 1.00 31.31 N ATOM 562 CA SER A 36 9.707 -7.716 -2.776 1.00 50.41 C ATOM 563 C SER A 36 10.329 -6.352 -2.396 1.00 21.21 C ATOM 564 O SER A 36 9.753 -5.294 -2.703 1.00 41.41 O ATOM 565 CB SER A 36 10.650 -8.537 -3.702 1.00 34.22 C ATOM 566 OG SER A 36 11.860 -8.905 -3.051 1.00 41.52 O ATOM 0 H SER A 36 8.371 -6.654 -4.001 1.00 31.31 H new ATOM 0 HA SER A 36 9.560 -8.281 -1.856 1.00 50.41 H new ATOM 0 HB2 SER A 36 10.133 -9.436 -4.038 1.00 34.22 H new ATOM 0 HB3 SER A 36 10.882 -7.951 -4.591 1.00 34.22 H new ATOM 0 HG SER A 36 12.420 -9.420 -3.669 1.00 41.52 H new ATOM 572 N SER A 37 11.510 -6.403 -1.724 1.00 14.34 N ATOM 573 CA SER A 37 12.232 -5.215 -1.205 1.00 54.42 C ATOM 574 C SER A 37 12.703 -4.272 -2.329 1.00 50.12 C ATOM 575 O SER A 37 13.003 -3.098 -2.071 1.00 71.51 O ATOM 576 CB SER A 37 13.424 -5.634 -0.312 1.00 22.22 C ATOM 577 OG SER A 37 12.990 -6.435 0.778 1.00 14.30 O ATOM 0 H SER A 37 11.991 -7.281 -1.527 1.00 14.34 H new ATOM 0 HA SER A 37 11.518 -4.659 -0.597 1.00 54.42 H new ATOM 0 HB2 SER A 37 14.151 -6.187 -0.907 1.00 22.22 H new ATOM 0 HB3 SER A 37 13.930 -4.745 0.065 1.00 22.22 H new ATOM 0 HG SER A 37 12.050 -6.679 0.650 1.00 14.30 H new ATOM 583 N GLN A 38 12.768 -4.813 -3.559 1.00 42.14 N ATOM 584 CA GLN A 38 13.029 -4.044 -4.784 1.00 61.11 C ATOM 585 C GLN A 38 11.924 -2.977 -4.970 1.00 53.13 C ATOM 586 O GLN A 38 12.205 -1.780 -5.122 1.00 54.13 O ATOM 587 CB GLN A 38 13.092 -5.020 -5.999 1.00 12.11 C ATOM 588 CG GLN A 38 13.586 -4.400 -7.325 1.00 20.50 C ATOM 589 CD GLN A 38 15.028 -3.891 -7.247 1.00 21.04 C ATOM 590 OE1 GLN A 38 15.283 -2.722 -6.957 1.00 22.12 O ATOM 591 NE2 GLN A 38 15.986 -4.776 -7.470 1.00 12.20 N ATOM 0 H GLN A 38 12.639 -5.810 -3.730 1.00 42.14 H new ATOM 0 HA GLN A 38 13.986 -3.528 -4.710 1.00 61.11 H new ATOM 0 HB2 GLN A 38 13.747 -5.852 -5.741 1.00 12.11 H new ATOM 0 HB3 GLN A 38 12.097 -5.436 -6.161 1.00 12.11 H new ATOM 0 HG2 GLN A 38 13.512 -5.145 -8.118 1.00 20.50 H new ATOM 0 HG3 GLN A 38 12.930 -3.575 -7.600 1.00 20.50 H new ATOM 0 HE21 GLN A 38 15.746 -5.738 -7.709 1.00 12.20 H new ATOM 0 HE22 GLN A 38 16.965 -4.496 -7.403 1.00 12.20 H new ATOM 600 N ASP A 39 10.663 -3.452 -4.883 1.00 22.41 N ATOM 601 CA ASP A 39 9.460 -2.605 -4.995 1.00 54.44 C ATOM 602 C ASP A 39 9.345 -1.656 -3.789 1.00 1.22 C ATOM 603 O ASP A 39 8.998 -0.497 -3.948 1.00 73.45 O ATOM 604 CB ASP A 39 8.179 -3.473 -5.080 1.00 62.41 C ATOM 605 CG ASP A 39 8.239 -4.537 -6.184 1.00 4.51 C ATOM 606 OD1 ASP A 39 8.132 -4.178 -7.372 1.00 43.12 O ATOM 607 OD2 ASP A 39 8.397 -5.734 -5.867 1.00 61.13 O ATOM 0 H ASP A 39 10.452 -4.438 -4.732 1.00 22.41 H new ATOM 0 HA ASP A 39 9.558 -2.018 -5.908 1.00 54.44 H new ATOM 0 HB2 ASP A 39 8.017 -3.964 -4.120 1.00 62.41 H new ATOM 0 HB3 ASP A 39 7.320 -2.825 -5.256 1.00 62.41 H new ATOM 612 N ILE A 40 9.652 -2.193 -2.587 1.00 63.43 N ATOM 613 CA ILE A 40 9.606 -1.457 -1.300 1.00 62.14 C ATOM 614 C ILE A 40 10.393 -0.126 -1.377 1.00 73.52 C ATOM 615 O ILE A 40 9.911 0.919 -0.927 1.00 72.11 O ATOM 616 CB ILE A 40 10.172 -2.374 -0.138 1.00 31.02 C ATOM 617 CG1 ILE A 40 9.211 -3.584 0.140 1.00 23.44 C ATOM 618 CG2 ILE A 40 10.489 -1.588 1.158 1.00 11.31 C ATOM 619 CD1 ILE A 40 7.812 -3.226 0.616 1.00 22.44 C ATOM 0 H ILE A 40 9.943 -3.165 -2.480 1.00 63.43 H new ATOM 0 HA ILE A 40 8.567 -1.208 -1.086 1.00 62.14 H new ATOM 0 HB ILE A 40 11.126 -2.768 -0.488 1.00 31.02 H new ATOM 0 HG12 ILE A 40 9.124 -4.171 -0.774 1.00 23.44 H new ATOM 0 HG13 ILE A 40 9.675 -4.227 0.888 1.00 23.44 H new ATOM 0 HG21 ILE A 40 10.873 -2.273 1.914 1.00 11.31 H new ATOM 0 HG22 ILE A 40 11.238 -0.825 0.947 1.00 11.31 H new ATOM 0 HG23 ILE A 40 9.580 -1.113 1.527 1.00 11.31 H new ATOM 0 HD11 ILE A 40 7.237 -4.138 0.776 1.00 22.44 H new ATOM 0 HD12 ILE A 40 7.877 -2.670 1.551 1.00 22.44 H new ATOM 0 HD13 ILE A 40 7.317 -2.613 -0.137 1.00 22.44 H new ATOM 631 N ARG A 41 11.587 -0.186 -1.977 1.00 53.11 N ATOM 632 CA ARG A 41 12.477 0.978 -2.117 1.00 1.10 C ATOM 633 C ARG A 41 12.041 1.888 -3.286 1.00 0.24 C ATOM 634 O ARG A 41 12.011 3.117 -3.139 1.00 13.24 O ATOM 635 CB ARG A 41 13.933 0.496 -2.313 1.00 2.35 C ATOM 636 CG ARG A 41 14.526 -0.239 -1.080 1.00 45.25 C ATOM 637 CD ARG A 41 15.888 -0.895 -1.380 1.00 34.41 C ATOM 638 NE ARG A 41 15.765 -2.013 -2.345 1.00 62.03 N ATOM 639 CZ ARG A 41 16.409 -2.109 -3.521 1.00 42.01 C ATOM 640 NH1 ARG A 41 17.229 -1.151 -3.944 1.00 43.13 N ATOM 641 NH2 ARG A 41 16.232 -3.178 -4.275 1.00 44.14 N ATOM 0 H ARG A 41 11.966 -1.043 -2.380 1.00 53.11 H new ATOM 0 HA ARG A 41 12.414 1.572 -1.205 1.00 1.10 H new ATOM 0 HB2 ARG A 41 13.971 -0.171 -3.174 1.00 2.35 H new ATOM 0 HB3 ARG A 41 14.561 1.355 -2.548 1.00 2.35 H new ATOM 0 HG2 ARG A 41 14.641 0.470 -0.260 1.00 45.25 H new ATOM 0 HG3 ARG A 41 13.825 -1.003 -0.745 1.00 45.25 H new ATOM 0 HD2 ARG A 41 16.571 -0.145 -1.779 1.00 34.41 H new ATOM 0 HD3 ARG A 41 16.325 -1.263 -0.452 1.00 34.41 H new ATOM 0 HE ARG A 41 15.137 -2.777 -2.095 1.00 62.03 H new ATOM 0 HH11 ARG A 41 17.381 -0.320 -3.372 1.00 43.13 H new ATOM 0 HH12 ARG A 41 17.706 -1.247 -4.840 1.00 43.13 H new ATOM 0 HH21 ARG A 41 15.610 -3.924 -3.964 1.00 44.14 H new ATOM 0 HH22 ARG A 41 16.717 -3.258 -5.169 1.00 44.14 H new ATOM 655 N ASP A 42 11.676 1.263 -4.434 1.00 73.54 N ATOM 656 CA ASP A 42 11.358 1.984 -5.690 1.00 55.21 C ATOM 657 C ASP A 42 10.054 2.810 -5.580 1.00 33.35 C ATOM 658 O ASP A 42 9.960 3.934 -6.109 1.00 60.43 O ATOM 659 CB ASP A 42 11.266 0.994 -6.890 1.00 71.24 C ATOM 660 CG ASP A 42 11.016 1.726 -8.224 1.00 3.00 C ATOM 661 OD1 ASP A 42 11.977 2.302 -8.787 1.00 62.10 O ATOM 662 OD2 ASP A 42 9.869 1.739 -8.720 1.00 4.13 O ATOM 0 H ASP A 42 11.594 0.249 -4.514 1.00 73.54 H new ATOM 0 HA ASP A 42 12.175 2.683 -5.866 1.00 55.21 H new ATOM 0 HB2 ASP A 42 12.190 0.421 -6.959 1.00 71.24 H new ATOM 0 HB3 ASP A 42 10.461 0.281 -6.711 1.00 71.24 H new ATOM 667 N ILE A 43 9.061 2.244 -4.891 1.00 63.25 N ATOM 668 CA ILE A 43 7.740 2.872 -4.719 1.00 25.21 C ATOM 669 C ILE A 43 7.839 4.121 -3.814 1.00 20.02 C ATOM 670 O ILE A 43 7.236 5.161 -4.113 1.00 25.25 O ATOM 671 CB ILE A 43 6.696 1.844 -4.148 1.00 52.02 C ATOM 672 CG1 ILE A 43 6.403 0.710 -5.197 1.00 52.53 C ATOM 673 CG2 ILE A 43 5.395 2.552 -3.715 1.00 24.23 C ATOM 674 CD1 ILE A 43 5.509 -0.412 -4.685 1.00 14.32 C ATOM 0 H ILE A 43 9.146 1.336 -4.434 1.00 63.25 H new ATOM 0 HA ILE A 43 7.390 3.193 -5.700 1.00 25.21 H new ATOM 0 HB ILE A 43 7.128 1.381 -3.261 1.00 52.02 H new ATOM 0 HG12 ILE A 43 5.936 1.157 -6.075 1.00 52.53 H new ATOM 0 HG13 ILE A 43 7.351 0.281 -5.523 1.00 52.53 H new ATOM 0 HG21 ILE A 43 4.693 1.816 -3.325 1.00 24.23 H new ATOM 0 HG22 ILE A 43 5.620 3.285 -2.940 1.00 24.23 H new ATOM 0 HG23 ILE A 43 4.952 3.056 -4.574 1.00 24.23 H new ATOM 0 HD11 ILE A 43 5.361 -1.148 -5.475 1.00 14.32 H new ATOM 0 HD12 ILE A 43 5.981 -0.890 -3.827 1.00 14.32 H new ATOM 0 HD13 ILE A 43 4.544 -0.001 -4.387 1.00 14.32 H new ATOM 686 N ILE A 44 8.617 4.014 -2.719 1.00 54.21 N ATOM 687 CA ILE A 44 8.876 5.153 -1.818 1.00 11.31 C ATOM 688 C ILE A 44 9.693 6.237 -2.556 1.00 54.01 C ATOM 689 O ILE A 44 9.426 7.423 -2.393 1.00 0.23 O ATOM 690 CB ILE A 44 9.581 4.685 -0.489 1.00 1.14 C ATOM 691 CG1 ILE A 44 8.634 3.708 0.281 1.00 31.35 C ATOM 692 CG2 ILE A 44 9.990 5.893 0.404 1.00 21.04 C ATOM 693 CD1 ILE A 44 9.214 3.140 1.555 1.00 11.50 C ATOM 0 H ILE A 44 9.077 3.149 -2.437 1.00 54.21 H new ATOM 0 HA ILE A 44 7.922 5.591 -1.526 1.00 11.31 H new ATOM 0 HB ILE A 44 10.502 4.163 -0.748 1.00 1.14 H new ATOM 0 HG12 ILE A 44 7.710 4.233 0.521 1.00 31.35 H new ATOM 0 HG13 ILE A 44 8.369 2.883 -0.381 1.00 31.35 H new ATOM 0 HG21 ILE A 44 10.473 5.528 1.311 1.00 21.04 H new ATOM 0 HG22 ILE A 44 10.682 6.532 -0.144 1.00 21.04 H new ATOM 0 HG23 ILE A 44 9.102 6.465 0.671 1.00 21.04 H new ATOM 0 HD11 ILE A 44 8.487 2.474 2.020 1.00 11.50 H new ATOM 0 HD12 ILE A 44 10.122 2.582 1.325 1.00 11.50 H new ATOM 0 HD13 ILE A 44 9.452 3.953 2.241 1.00 11.50 H new ATOM 705 N LYS A 45 10.637 5.800 -3.423 1.00 24.51 N ATOM 706 CA LYS A 45 11.384 6.698 -4.341 1.00 71.54 C ATOM 707 C LYS A 45 10.403 7.489 -5.234 1.00 10.31 C ATOM 708 O LYS A 45 10.609 8.672 -5.480 1.00 73.11 O ATOM 709 CB LYS A 45 12.386 5.859 -5.201 1.00 40.54 C ATOM 710 CG LYS A 45 13.360 6.648 -6.137 1.00 44.53 C ATOM 711 CD LYS A 45 12.779 7.087 -7.523 1.00 50.52 C ATOM 712 CE LYS A 45 12.530 5.918 -8.511 1.00 71.14 C ATOM 713 NZ LYS A 45 11.318 5.114 -8.189 1.00 2.12 N ATOM 0 H LYS A 45 10.903 4.819 -3.507 1.00 24.51 H new ATOM 0 HA LYS A 45 11.955 7.419 -3.756 1.00 71.54 H new ATOM 0 HB2 LYS A 45 12.986 5.252 -4.524 1.00 40.54 H new ATOM 0 HB3 LYS A 45 11.808 5.171 -5.818 1.00 40.54 H new ATOM 0 HG2 LYS A 45 13.697 7.540 -5.608 1.00 44.53 H new ATOM 0 HG3 LYS A 45 14.241 6.031 -6.314 1.00 44.53 H new ATOM 0 HD2 LYS A 45 11.839 7.615 -7.359 1.00 50.52 H new ATOM 0 HD3 LYS A 45 13.467 7.796 -7.984 1.00 50.52 H new ATOM 0 HE2 LYS A 45 12.432 6.320 -9.519 1.00 71.14 H new ATOM 0 HE3 LYS A 45 13.401 5.263 -8.512 1.00 71.14 H new ATOM 0 HZ1 LYS A 45 10.898 4.752 -9.069 1.00 2.12 H new ATOM 0 HZ2 LYS A 45 11.583 4.315 -7.578 1.00 2.12 H new ATOM 0 HZ3 LYS A 45 10.626 5.712 -7.695 1.00 2.12 H new ATOM 727 N SER A 46 9.331 6.806 -5.691 1.00 41.50 N ATOM 728 CA SER A 46 8.284 7.394 -6.550 1.00 13.43 C ATOM 729 C SER A 46 7.441 8.443 -5.776 1.00 72.35 C ATOM 730 O SER A 46 6.975 9.429 -6.358 1.00 71.14 O ATOM 731 CB SER A 46 7.390 6.261 -7.111 1.00 23.23 C ATOM 732 OG SER A 46 6.428 6.751 -8.020 1.00 24.23 O ATOM 0 H SER A 46 9.168 5.823 -5.471 1.00 41.50 H new ATOM 0 HA SER A 46 8.759 7.919 -7.379 1.00 13.43 H new ATOM 0 HB2 SER A 46 8.014 5.519 -7.608 1.00 23.23 H new ATOM 0 HB3 SER A 46 6.887 5.754 -6.288 1.00 23.23 H new ATOM 0 HG SER A 46 6.342 6.129 -8.772 1.00 24.23 H new ATOM 738 N MET A 47 7.271 8.212 -4.454 1.00 64.23 N ATOM 739 CA MET A 47 6.564 9.143 -3.534 1.00 71.14 C ATOM 740 C MET A 47 7.424 10.393 -3.266 1.00 14.25 C ATOM 741 O MET A 47 6.902 11.501 -3.113 1.00 32.11 O ATOM 742 CB MET A 47 6.251 8.431 -2.186 1.00 32.43 C ATOM 743 CG MET A 47 5.381 7.180 -2.314 1.00 62.50 C ATOM 744 SD MET A 47 5.313 6.220 -0.793 1.00 71.20 S ATOM 745 CE MET A 47 4.657 7.428 0.350 1.00 44.22 C ATOM 0 H MET A 47 7.620 7.373 -3.990 1.00 64.23 H new ATOM 0 HA MET A 47 5.631 9.448 -4.007 1.00 71.14 H new ATOM 0 HB2 MET A 47 7.191 8.156 -1.708 1.00 32.43 H new ATOM 0 HB3 MET A 47 5.752 9.138 -1.524 1.00 32.43 H new ATOM 0 HG2 MET A 47 4.371 7.473 -2.599 1.00 62.50 H new ATOM 0 HG3 MET A 47 5.769 6.553 -3.117 1.00 62.50 H new ATOM 0 HE1 MET A 47 4.707 7.034 1.365 1.00 44.22 H new ATOM 0 HE2 MET A 47 5.244 8.344 0.287 1.00 44.22 H new ATOM 0 HE3 MET A 47 3.619 7.644 0.096 1.00 44.22 H new ATOM 755 N LYS A 48 8.753 10.177 -3.204 1.00 22.24 N ATOM 756 CA LYS A 48 9.749 11.242 -2.980 1.00 3.43 C ATOM 757 C LYS A 48 9.967 12.070 -4.253 1.00 11.21 C ATOM 758 O LYS A 48 10.240 13.271 -4.189 1.00 14.01 O ATOM 759 CB LYS A 48 11.102 10.624 -2.529 1.00 51.43 C ATOM 760 CG LYS A 48 11.022 9.813 -1.224 1.00 51.53 C ATOM 761 CD LYS A 48 12.393 9.257 -0.750 1.00 12.34 C ATOM 762 CE LYS A 48 13.272 10.312 -0.049 1.00 74.34 C ATOM 763 NZ LYS A 48 13.742 11.406 -0.937 1.00 11.21 N ATOM 0 H LYS A 48 9.168 9.251 -3.309 1.00 22.24 H new ATOM 0 HA LYS A 48 9.367 11.898 -2.198 1.00 3.43 H new ATOM 0 HB2 LYS A 48 11.476 9.977 -3.323 1.00 51.43 H new ATOM 0 HB3 LYS A 48 11.830 11.425 -2.401 1.00 51.43 H new ATOM 0 HG2 LYS A 48 10.605 10.444 -0.439 1.00 51.53 H new ATOM 0 HG3 LYS A 48 10.332 8.981 -1.365 1.00 51.53 H new ATOM 0 HD2 LYS A 48 12.223 8.425 -0.067 1.00 12.34 H new ATOM 0 HD3 LYS A 48 12.932 8.859 -1.610 1.00 12.34 H new ATOM 0 HE2 LYS A 48 12.708 10.747 0.776 1.00 74.34 H new ATOM 0 HE3 LYS A 48 14.139 9.815 0.385 1.00 74.34 H new ATOM 0 HZ1 LYS A 48 14.670 11.744 -0.610 1.00 11.21 H new ATOM 0 HZ2 LYS A 48 13.826 11.051 -1.911 1.00 11.21 H new ATOM 0 HZ3 LYS A 48 13.060 12.190 -0.912 1.00 11.21 H new ATOM 777 N ASP A 49 9.846 11.386 -5.405 1.00 32.13 N ATOM 778 CA ASP A 49 10.038 11.972 -6.737 1.00 41.24 C ATOM 779 C ASP A 49 8.866 12.888 -7.077 1.00 20.23 C ATOM 780 O ASP A 49 9.046 14.002 -7.578 1.00 52.42 O ATOM 781 CB ASP A 49 10.171 10.844 -7.799 1.00 32.51 C ATOM 782 CG ASP A 49 10.398 11.392 -9.216 1.00 41.23 C ATOM 783 OD1 ASP A 49 11.540 11.792 -9.523 1.00 64.10 O ATOM 784 OD2 ASP A 49 9.444 11.437 -10.025 1.00 43.24 O ATOM 0 H ASP A 49 9.608 10.395 -5.433 1.00 32.13 H new ATOM 0 HA ASP A 49 10.954 12.563 -6.739 1.00 41.24 H new ATOM 0 HB2 ASP A 49 11.001 10.191 -7.528 1.00 32.51 H new ATOM 0 HB3 ASP A 49 9.268 10.233 -7.790 1.00 32.51 H new ATOM 789 N ASN A 50 7.666 12.389 -6.778 1.00 42.04 N ATOM 790 CA ASN A 50 6.410 13.078 -7.061 1.00 53.51 C ATOM 791 C ASN A 50 5.463 12.882 -5.877 1.00 43.33 C ATOM 792 O ASN A 50 5.111 11.739 -5.556 1.00 62.35 O ATOM 793 CB ASN A 50 5.788 12.519 -8.365 1.00 21.13 C ATOM 794 CG ASN A 50 4.473 13.204 -8.750 1.00 10.22 C ATOM 795 OD1 ASN A 50 3.351 12.633 -8.342 1.00 12.41 O flip ATOM 796 ND2 ASN A 50 4.471 14.240 -9.416 1.00 0.14 N flip ATOM 0 H ASN A 50 7.539 11.483 -6.327 1.00 42.04 H new ATOM 0 HA ASN A 50 6.588 14.144 -7.201 1.00 53.51 H new ATOM 0 HB2 ASN A 50 6.503 12.636 -9.180 1.00 21.13 H new ATOM 0 HB3 ASN A 50 5.612 11.450 -8.246 1.00 21.13 H new ATOM 0 HD21 ASN A 50 5.353 14.656 -9.715 1.00 0.14 H new ATOM 0 HD22 ASN A 50 3.587 14.682 -9.668 1.00 0.14 H new ATOM 803 N GLY A 51 5.075 13.997 -5.231 1.00 61.21 N ATOM 804 CA GLY A 51 4.107 13.977 -4.146 1.00 61.34 C ATOM 805 C GLY A 51 2.722 13.543 -4.614 1.00 51.52 C ATOM 806 O GLY A 51 2.015 14.327 -5.257 1.00 15.53 O ATOM 0 H GLY A 51 5.428 14.928 -5.454 1.00 61.21 H new ATOM 0 HA2 GLY A 51 4.453 13.299 -3.366 1.00 61.34 H new ATOM 0 HA3 GLY A 51 4.043 14.970 -3.701 1.00 61.34 H new ATOM 810 N LYS A 52 2.350 12.287 -4.295 1.00 55.40 N ATOM 811 CA LYS A 52 1.072 11.683 -4.715 1.00 13.34 C ATOM 812 C LYS A 52 0.574 10.668 -3.657 1.00 12.32 C ATOM 813 O LYS A 52 1.394 10.027 -2.978 1.00 51.35 O ATOM 814 CB LYS A 52 1.271 10.992 -6.092 1.00 32.40 C ATOM 815 CG LYS A 52 2.345 9.876 -6.097 1.00 44.32 C ATOM 816 CD LYS A 52 2.595 9.307 -7.506 1.00 72.10 C ATOM 817 CE LYS A 52 3.637 8.188 -7.520 1.00 62.24 C ATOM 818 NZ LYS A 52 3.782 7.593 -8.873 1.00 31.40 N ATOM 0 H LYS A 52 2.931 11.662 -3.737 1.00 55.40 H new ATOM 0 HA LYS A 52 0.314 12.461 -4.807 1.00 13.34 H new ATOM 0 HB2 LYS A 52 0.320 10.566 -6.412 1.00 32.40 H new ATOM 0 HB3 LYS A 52 1.546 11.748 -6.828 1.00 32.40 H new ATOM 0 HG2 LYS A 52 3.278 10.272 -5.697 1.00 44.32 H new ATOM 0 HG3 LYS A 52 2.031 9.070 -5.433 1.00 44.32 H new ATOM 0 HD2 LYS A 52 1.657 8.928 -7.911 1.00 72.10 H new ATOM 0 HD3 LYS A 52 2.924 10.111 -8.164 1.00 72.10 H new ATOM 0 HE2 LYS A 52 4.599 8.581 -7.190 1.00 62.24 H new ATOM 0 HE3 LYS A 52 3.349 7.413 -6.810 1.00 62.24 H new ATOM 0 HZ1 LYS A 52 4.709 7.128 -8.950 1.00 31.40 H new ATOM 0 HZ2 LYS A 52 3.029 6.892 -9.027 1.00 31.40 H new ATOM 0 HZ3 LYS A 52 3.710 8.342 -9.591 1.00 31.40 H new ATOM 832 N PRO A 53 -0.784 10.521 -3.472 1.00 50.03 N ATOM 833 CA PRO A 53 -1.360 9.498 -2.583 1.00 23.31 C ATOM 834 C PRO A 53 -1.385 8.102 -3.261 1.00 15.00 C ATOM 835 O PRO A 53 -2.218 7.823 -4.131 1.00 32.04 O ATOM 836 CB PRO A 53 -2.780 10.046 -2.293 1.00 62.13 C ATOM 837 CG PRO A 53 -3.156 10.834 -3.522 1.00 44.14 C ATOM 838 CD PRO A 53 -1.852 11.350 -4.116 1.00 50.12 C ATOM 0 HA PRO A 53 -0.782 9.339 -1.672 1.00 23.31 H new ATOM 0 HB2 PRO A 53 -3.486 9.235 -2.113 1.00 62.13 H new ATOM 0 HB3 PRO A 53 -2.785 10.676 -1.404 1.00 62.13 H new ATOM 0 HG2 PRO A 53 -3.688 10.207 -4.238 1.00 44.14 H new ATOM 0 HG3 PRO A 53 -3.820 11.660 -3.266 1.00 44.14 H new ATOM 0 HD2 PRO A 53 -1.840 11.238 -5.200 1.00 50.12 H new ATOM 0 HD3 PRO A 53 -1.712 12.410 -3.903 1.00 50.12 H new ATOM 846 N LEU A 54 -0.411 7.250 -2.899 1.00 15.42 N ATOM 847 CA LEU A 54 -0.336 5.851 -3.371 1.00 54.42 C ATOM 848 C LEU A 54 -1.087 4.923 -2.413 1.00 44.11 C ATOM 849 O LEU A 54 -1.248 5.236 -1.239 1.00 52.31 O ATOM 850 CB LEU A 54 1.152 5.396 -3.518 1.00 70.10 C ATOM 851 CG LEU A 54 1.865 5.821 -4.843 1.00 13.23 C ATOM 852 CD1 LEU A 54 3.361 5.455 -4.825 1.00 45.05 C ATOM 853 CD2 LEU A 54 1.176 5.185 -6.063 1.00 23.13 C ATOM 0 H LEU A 54 0.349 7.509 -2.270 1.00 15.42 H new ATOM 0 HA LEU A 54 -0.809 5.795 -4.351 1.00 54.42 H new ATOM 0 HB2 LEU A 54 1.719 5.796 -2.678 1.00 70.10 H new ATOM 0 HB3 LEU A 54 1.190 4.309 -3.440 1.00 70.10 H new ATOM 0 HG LEU A 54 1.786 6.905 -4.921 1.00 13.23 H new ATOM 0 HD11 LEU A 54 3.823 5.766 -5.762 1.00 45.05 H new ATOM 0 HD12 LEU A 54 3.850 5.963 -3.994 1.00 45.05 H new ATOM 0 HD13 LEU A 54 3.470 4.377 -4.706 1.00 45.05 H new ATOM 0 HD21 LEU A 54 1.689 5.495 -6.973 1.00 23.13 H new ATOM 0 HD22 LEU A 54 1.214 4.099 -5.977 1.00 23.13 H new ATOM 0 HD23 LEU A 54 0.136 5.510 -6.104 1.00 23.13 H new ATOM 865 N VAL A 55 -1.577 3.795 -2.944 1.00 63.32 N ATOM 866 CA VAL A 55 -2.147 2.698 -2.146 1.00 31.52 C ATOM 867 C VAL A 55 -1.412 1.406 -2.551 1.00 41.14 C ATOM 868 O VAL A 55 -1.679 0.854 -3.621 1.00 41.22 O ATOM 869 CB VAL A 55 -3.709 2.554 -2.375 1.00 51.13 C ATOM 870 CG1 VAL A 55 -4.294 1.401 -1.529 1.00 4.00 C ATOM 871 CG2 VAL A 55 -4.450 3.888 -2.086 1.00 43.45 C ATOM 0 H VAL A 55 -1.590 3.615 -3.948 1.00 63.32 H new ATOM 0 HA VAL A 55 -2.012 2.904 -1.084 1.00 31.52 H new ATOM 0 HB VAL A 55 -3.864 2.310 -3.426 1.00 51.13 H new ATOM 0 HG11 VAL A 55 -5.367 1.327 -1.707 1.00 4.00 H new ATOM 0 HG12 VAL A 55 -3.814 0.464 -1.810 1.00 4.00 H new ATOM 0 HG13 VAL A 55 -4.115 1.598 -0.472 1.00 4.00 H new ATOM 0 HG21 VAL A 55 -5.519 3.754 -2.253 1.00 43.45 H new ATOM 0 HG22 VAL A 55 -4.278 4.183 -1.051 1.00 43.45 H new ATOM 0 HG23 VAL A 55 -4.074 4.665 -2.751 1.00 43.45 H new ATOM 881 N VAL A 56 -0.454 0.970 -1.717 1.00 71.32 N ATOM 882 CA VAL A 56 0.432 -0.169 -2.033 1.00 4.32 C ATOM 883 C VAL A 56 -0.013 -1.437 -1.312 1.00 31.54 C ATOM 884 O VAL A 56 0.064 -1.530 -0.086 1.00 13.51 O ATOM 885 CB VAL A 56 1.929 0.150 -1.671 1.00 72.14 C ATOM 886 CG1 VAL A 56 2.858 -1.077 -1.880 1.00 43.53 C ATOM 887 CG2 VAL A 56 2.419 1.351 -2.496 1.00 44.33 C ATOM 0 H VAL A 56 -0.270 1.393 -0.807 1.00 71.32 H new ATOM 0 HA VAL A 56 0.361 -0.336 -3.108 1.00 4.32 H new ATOM 0 HB VAL A 56 1.970 0.399 -0.611 1.00 72.14 H new ATOM 0 HG11 VAL A 56 3.881 -0.808 -1.617 1.00 43.53 H new ATOM 0 HG12 VAL A 56 2.524 -1.898 -1.246 1.00 43.53 H new ATOM 0 HG13 VAL A 56 2.821 -1.387 -2.924 1.00 43.53 H new ATOM 0 HG21 VAL A 56 3.456 1.568 -2.242 1.00 44.33 H new ATOM 0 HG22 VAL A 56 2.347 1.116 -3.558 1.00 44.33 H new ATOM 0 HG23 VAL A 56 1.801 2.221 -2.274 1.00 44.33 H new ATOM 897 N PHE A 57 -0.472 -2.402 -2.101 1.00 65.31 N ATOM 898 CA PHE A 57 -0.804 -3.743 -1.634 1.00 51.34 C ATOM 899 C PHE A 57 0.476 -4.592 -1.590 1.00 13.15 C ATOM 900 O PHE A 57 1.036 -4.916 -2.642 1.00 70.33 O ATOM 901 CB PHE A 57 -1.832 -4.374 -2.607 1.00 53.13 C ATOM 902 CG PHE A 57 -3.182 -3.660 -2.639 1.00 64.14 C ATOM 903 CD1 PHE A 57 -3.352 -2.463 -3.342 1.00 61.40 C ATOM 904 CD2 PHE A 57 -4.276 -4.178 -1.948 1.00 60.23 C ATOM 905 CE1 PHE A 57 -4.573 -1.814 -3.350 1.00 53.43 C ATOM 906 CE2 PHE A 57 -5.492 -3.529 -1.961 1.00 50.12 C ATOM 907 CZ PHE A 57 -5.640 -2.345 -2.658 1.00 75.25 C ATOM 0 H PHE A 57 -0.627 -2.272 -3.101 1.00 65.31 H new ATOM 0 HA PHE A 57 -1.236 -3.699 -0.634 1.00 51.34 H new ATOM 0 HB2 PHE A 57 -1.411 -4.376 -3.612 1.00 53.13 H new ATOM 0 HB3 PHE A 57 -1.991 -5.415 -2.326 1.00 53.13 H new ATOM 0 HD1 PHE A 57 -2.520 -2.040 -3.885 1.00 61.40 H new ATOM 0 HD2 PHE A 57 -4.170 -5.100 -1.395 1.00 60.23 H new ATOM 0 HE1 PHE A 57 -4.690 -0.891 -3.898 1.00 53.43 H new ATOM 0 HE2 PHE A 57 -6.331 -3.947 -1.425 1.00 50.12 H new ATOM 0 HZ PHE A 57 -6.592 -1.836 -2.660 1.00 75.25 H new ATOM 917 N VAL A 58 0.972 -4.921 -0.386 1.00 40.33 N ATOM 918 CA VAL A 58 2.068 -5.901 -0.248 1.00 72.13 C ATOM 919 C VAL A 58 1.471 -7.302 -0.419 1.00 62.41 C ATOM 920 O VAL A 58 0.799 -7.823 0.481 1.00 10.30 O ATOM 921 CB VAL A 58 2.899 -5.773 1.099 1.00 54.21 C ATOM 922 CG1 VAL A 58 3.805 -4.523 1.077 1.00 62.21 C ATOM 923 CG2 VAL A 58 2.002 -5.768 2.354 1.00 53.03 C ATOM 0 H VAL A 58 0.639 -4.531 0.496 1.00 40.33 H new ATOM 0 HA VAL A 58 2.804 -5.696 -1.026 1.00 72.13 H new ATOM 0 HB VAL A 58 3.528 -6.662 1.158 1.00 54.21 H new ATOM 0 HG11 VAL A 58 4.362 -4.461 2.012 1.00 62.21 H new ATOM 0 HG12 VAL A 58 4.503 -4.594 0.243 1.00 62.21 H new ATOM 0 HG13 VAL A 58 3.191 -3.630 0.961 1.00 62.21 H new ATOM 0 HG21 VAL A 58 2.623 -5.678 3.245 1.00 53.03 H new ATOM 0 HG22 VAL A 58 1.313 -4.925 2.306 1.00 53.03 H new ATOM 0 HG23 VAL A 58 1.435 -6.698 2.399 1.00 53.03 H new ATOM 933 N ASN A 59 1.654 -7.883 -1.620 1.00 2.25 N ATOM 934 CA ASN A 59 1.079 -9.190 -1.962 1.00 23.41 C ATOM 935 C ASN A 59 1.815 -10.297 -1.193 1.00 42.33 C ATOM 936 O ASN A 59 2.805 -10.850 -1.680 1.00 43.03 O ATOM 937 CB ASN A 59 1.101 -9.432 -3.498 1.00 12.42 C ATOM 938 CG ASN A 59 0.375 -10.724 -3.887 1.00 52.32 C ATOM 939 OD1 ASN A 59 -0.834 -10.727 -4.130 1.00 22.01 O ATOM 940 ND2 ASN A 59 1.097 -11.835 -3.944 1.00 34.34 N ATOM 0 H ASN A 59 2.200 -7.461 -2.371 1.00 2.25 H new ATOM 0 HA ASN A 59 0.031 -9.206 -1.661 1.00 23.41 H new ATOM 0 HB2 ASN A 59 0.634 -8.587 -4.005 1.00 12.42 H new ATOM 0 HB3 ASN A 59 2.134 -9.479 -3.843 1.00 12.42 H new ATOM 0 HD21 ASN A 59 0.654 -12.719 -4.194 1.00 34.34 H new ATOM 0 HD22 ASN A 59 2.096 -11.805 -3.738 1.00 34.34 H new ATOM 947 N GLY A 60 1.344 -10.529 0.060 1.00 40.24 N ATOM 948 CA GLY A 60 1.889 -11.536 0.971 1.00 60.43 C ATOM 949 C GLY A 60 3.399 -11.446 1.147 1.00 43.41 C ATOM 950 O GLY A 60 4.091 -12.469 1.147 1.00 64.04 O ATOM 0 H GLY A 60 0.564 -10.007 0.459 1.00 40.24 H new ATOM 0 HA2 GLY A 60 1.411 -11.429 1.945 1.00 60.43 H new ATOM 0 HA3 GLY A 60 1.634 -12.528 0.598 1.00 60.43 H new ATOM 954 N ALA A 61 3.899 -10.198 1.254 1.00 74.13 N ATOM 955 CA ALA A 61 5.325 -9.920 1.490 1.00 62.22 C ATOM 956 C ALA A 61 5.699 -10.261 2.941 1.00 30.21 C ATOM 957 O ALA A 61 4.819 -10.324 3.811 1.00 63.24 O ATOM 958 CB ALA A 61 5.642 -8.448 1.167 1.00 1.40 C ATOM 0 H ALA A 61 3.325 -9.358 1.179 1.00 74.13 H new ATOM 0 HA ALA A 61 5.923 -10.547 0.829 1.00 62.22 H new ATOM 0 HB1 ALA A 61 6.700 -8.256 1.346 1.00 1.40 H new ATOM 0 HB2 ALA A 61 5.408 -8.246 0.122 1.00 1.40 H new ATOM 0 HB3 ALA A 61 5.042 -7.798 1.805 1.00 1.40 H new ATOM 964 N SER A 62 6.997 -10.490 3.190 1.00 72.02 N ATOM 965 CA SER A 62 7.515 -10.808 4.533 1.00 40.43 C ATOM 966 C SER A 62 7.530 -9.541 5.408 1.00 62.00 C ATOM 967 O SER A 62 7.463 -8.415 4.886 1.00 64.25 O ATOM 968 CB SER A 62 8.941 -11.403 4.419 1.00 43.33 C ATOM 969 OG SER A 62 8.969 -12.507 3.529 1.00 25.20 O ATOM 0 H SER A 62 7.718 -10.461 2.469 1.00 72.02 H new ATOM 0 HA SER A 62 6.863 -11.545 5.002 1.00 40.43 H new ATOM 0 HB2 SER A 62 9.631 -10.635 4.071 1.00 43.33 H new ATOM 0 HB3 SER A 62 9.286 -11.718 5.404 1.00 43.33 H new ATOM 0 HG SER A 62 9.881 -12.861 3.475 1.00 25.20 H new ATOM 975 N GLN A 63 7.623 -9.733 6.738 1.00 42.23 N ATOM 976 CA GLN A 63 7.709 -8.625 7.705 1.00 1.14 C ATOM 977 C GLN A 63 9.018 -7.833 7.500 1.00 45.35 C ATOM 978 O GLN A 63 9.097 -6.682 7.895 1.00 20.21 O ATOM 979 CB GLN A 63 7.589 -9.144 9.170 1.00 64.14 C ATOM 980 CG GLN A 63 7.624 -8.039 10.252 1.00 14.13 C ATOM 981 CD GLN A 63 7.424 -8.565 11.670 1.00 4.43 C ATOM 982 OE1 GLN A 63 8.381 -8.942 12.350 1.00 4.22 O ATOM 983 NE2 GLN A 63 6.187 -8.577 12.133 1.00 42.21 N ATOM 0 H GLN A 63 7.640 -10.657 7.169 1.00 42.23 H new ATOM 0 HA GLN A 63 6.870 -7.952 7.528 1.00 1.14 H new ATOM 0 HB2 GLN A 63 6.657 -9.701 9.269 1.00 64.14 H new ATOM 0 HB3 GLN A 63 8.401 -9.846 9.360 1.00 64.14 H new ATOM 0 HG2 GLN A 63 8.581 -7.520 10.198 1.00 14.13 H new ATOM 0 HG3 GLN A 63 6.849 -7.304 10.034 1.00 14.13 H new ATOM 0 HE21 GLN A 63 5.419 -8.258 11.543 1.00 42.21 H new ATOM 0 HE22 GLN A 63 6.000 -8.905 13.080 1.00 42.21 H new ATOM 992 N ASN A 64 10.030 -8.470 6.850 1.00 12.55 N ATOM 993 CA ASN A 64 11.289 -7.798 6.447 1.00 70.55 C ATOM 994 C ASN A 64 10.976 -6.631 5.495 1.00 54.13 C ATOM 995 O ASN A 64 11.423 -5.511 5.714 1.00 22.52 O ATOM 996 CB ASN A 64 12.270 -8.791 5.753 1.00 74.43 C ATOM 997 CG ASN A 64 12.697 -9.948 6.651 1.00 44.03 C ATOM 998 OD1 ASN A 64 12.716 -9.836 7.880 1.00 23.54 O ATOM 999 ND2 ASN A 64 13.068 -11.059 6.045 1.00 64.31 N ATOM 0 H ASN A 64 9.993 -9.457 6.594 1.00 12.55 H new ATOM 0 HA ASN A 64 11.771 -7.421 7.349 1.00 70.55 H new ATOM 0 HB2 ASN A 64 11.796 -9.192 4.857 1.00 74.43 H new ATOM 0 HB3 ASN A 64 13.157 -8.247 5.428 1.00 74.43 H new ATOM 0 HD21 ASN A 64 13.383 -11.859 6.594 1.00 64.31 H new ATOM 0 HD22 ASN A 64 13.040 -11.118 5.027 1.00 64.31 H new ATOM 1006 N ASP A 65 10.146 -6.930 4.469 1.00 45.10 N ATOM 1007 CA ASP A 65 9.702 -5.949 3.456 1.00 73.13 C ATOM 1008 C ASP A 65 8.935 -4.791 4.119 1.00 23.31 C ATOM 1009 O ASP A 65 9.137 -3.622 3.781 1.00 11.25 O ATOM 1010 CB ASP A 65 8.793 -6.636 2.397 1.00 23.11 C ATOM 1011 CG ASP A 65 9.486 -7.797 1.670 1.00 21.41 C ATOM 1012 OD1 ASP A 65 10.168 -7.560 0.657 1.00 1.40 O ATOM 1013 OD2 ASP A 65 9.383 -8.953 2.128 1.00 31.01 O ATOM 0 H ASP A 65 9.764 -7.864 4.321 1.00 45.10 H new ATOM 0 HA ASP A 65 10.588 -5.549 2.963 1.00 73.13 H new ATOM 0 HB2 ASP A 65 7.892 -7.007 2.886 1.00 23.11 H new ATOM 0 HB3 ASP A 65 8.475 -5.894 1.664 1.00 23.11 H new ATOM 1018 N VAL A 66 8.068 -5.153 5.085 1.00 72.20 N ATOM 1019 CA VAL A 66 7.193 -4.212 5.809 1.00 70.50 C ATOM 1020 C VAL A 66 8.001 -3.290 6.746 1.00 1.02 C ATOM 1021 O VAL A 66 7.750 -2.073 6.794 1.00 53.44 O ATOM 1022 CB VAL A 66 6.093 -4.997 6.619 1.00 42.32 C ATOM 1023 CG1 VAL A 66 5.217 -4.046 7.473 1.00 50.23 C ATOM 1024 CG2 VAL A 66 5.227 -5.846 5.652 1.00 42.32 C ATOM 0 H VAL A 66 7.955 -6.120 5.388 1.00 72.20 H new ATOM 0 HA VAL A 66 6.702 -3.580 5.069 1.00 70.50 H new ATOM 0 HB VAL A 66 6.598 -5.667 7.315 1.00 42.32 H new ATOM 0 HG11 VAL A 66 4.471 -4.627 8.016 1.00 50.23 H new ATOM 0 HG12 VAL A 66 5.847 -3.511 8.183 1.00 50.23 H new ATOM 0 HG13 VAL A 66 4.716 -3.330 6.822 1.00 50.23 H new ATOM 0 HG21 VAL A 66 4.469 -6.385 6.220 1.00 42.32 H new ATOM 0 HG22 VAL A 66 4.741 -5.191 4.929 1.00 42.32 H new ATOM 0 HG23 VAL A 66 5.862 -6.559 5.126 1.00 42.32 H new ATOM 1034 N ASN A 67 8.987 -3.879 7.467 1.00 13.11 N ATOM 1035 CA ASN A 67 9.875 -3.135 8.392 1.00 63.13 C ATOM 1036 C ASN A 67 10.663 -2.100 7.599 1.00 2.31 C ATOM 1037 O ASN A 67 10.620 -0.913 7.915 1.00 13.20 O ATOM 1038 CB ASN A 67 10.873 -4.071 9.151 1.00 1.31 C ATOM 1039 CG ASN A 67 10.208 -5.024 10.145 1.00 12.32 C ATOM 1040 OD1 ASN A 67 9.159 -4.729 10.716 1.00 52.50 O ATOM 1041 ND2 ASN A 67 10.822 -6.174 10.364 1.00 23.51 N ATOM 0 H ASN A 67 9.188 -4.878 7.423 1.00 13.11 H new ATOM 0 HA ASN A 67 9.243 -2.657 9.141 1.00 63.13 H new ATOM 0 HB2 ASN A 67 11.430 -4.657 8.420 1.00 1.31 H new ATOM 0 HB3 ASN A 67 11.597 -3.455 9.685 1.00 1.31 H new ATOM 0 HD21 ASN A 67 10.427 -6.846 11.022 1.00 23.51 H new ATOM 0 HD22 ASN A 67 11.691 -6.390 9.875 1.00 23.51 H new ATOM 1048 N GLU A 68 11.325 -2.580 6.522 1.00 74.44 N ATOM 1049 CA GLU A 68 12.158 -1.741 5.654 1.00 31.54 C ATOM 1050 C GLU A 68 11.342 -0.644 4.965 1.00 32.02 C ATOM 1051 O GLU A 68 11.855 0.437 4.750 1.00 53.24 O ATOM 1052 CB GLU A 68 12.922 -2.596 4.605 1.00 23.22 C ATOM 1053 CG GLU A 68 13.894 -3.623 5.222 1.00 62.25 C ATOM 1054 CD GLU A 68 14.874 -3.004 6.238 1.00 54.12 C ATOM 1055 OE1 GLU A 68 15.836 -2.334 5.817 1.00 70.42 O ATOM 1056 OE2 GLU A 68 14.675 -3.175 7.465 1.00 55.52 O ATOM 0 H GLU A 68 11.292 -3.559 6.237 1.00 74.44 H new ATOM 0 HA GLU A 68 12.891 -1.253 6.296 1.00 31.54 H new ATOM 0 HB2 GLU A 68 12.198 -3.124 3.984 1.00 23.22 H new ATOM 0 HB3 GLU A 68 13.481 -1.931 3.947 1.00 23.22 H new ATOM 0 HG2 GLU A 68 13.318 -4.407 5.715 1.00 62.25 H new ATOM 0 HG3 GLU A 68 14.463 -4.099 4.423 1.00 62.25 H new ATOM 1063 N PHE A 69 10.063 -0.932 4.648 1.00 52.43 N ATOM 1064 CA PHE A 69 9.147 0.054 4.034 1.00 24.11 C ATOM 1065 C PHE A 69 8.926 1.237 4.996 1.00 3.33 C ATOM 1066 O PHE A 69 9.108 2.407 4.630 1.00 24.55 O ATOM 1067 CB PHE A 69 7.795 -0.626 3.672 1.00 60.54 C ATOM 1068 CG PHE A 69 6.874 0.216 2.789 1.00 60.24 C ATOM 1069 CD1 PHE A 69 5.957 1.111 3.345 1.00 12.24 C ATOM 1070 CD2 PHE A 69 6.923 0.108 1.396 1.00 24.33 C ATOM 1071 CE1 PHE A 69 5.126 1.855 2.539 1.00 11.54 C ATOM 1072 CE2 PHE A 69 6.087 0.858 0.590 1.00 31.41 C ATOM 1073 CZ PHE A 69 5.192 1.731 1.161 1.00 62.53 C ATOM 0 H PHE A 69 9.638 -1.845 4.808 1.00 52.43 H new ATOM 0 HA PHE A 69 9.594 0.436 3.116 1.00 24.11 H new ATOM 0 HB2 PHE A 69 8.002 -1.568 3.164 1.00 60.54 H new ATOM 0 HB3 PHE A 69 7.268 -0.870 4.594 1.00 60.54 H new ATOM 0 HD1 PHE A 69 5.900 1.220 4.418 1.00 12.24 H new ATOM 0 HD2 PHE A 69 7.627 -0.574 0.941 1.00 24.33 H new ATOM 0 HE1 PHE A 69 4.418 2.539 2.983 1.00 11.54 H new ATOM 0 HE2 PHE A 69 6.137 0.758 -0.484 1.00 31.41 H new ATOM 0 HZ PHE A 69 4.539 2.321 0.534 1.00 62.53 H new ATOM 1083 N GLN A 70 8.579 0.890 6.247 1.00 22.44 N ATOM 1084 CA GLN A 70 8.330 1.868 7.317 1.00 4.40 C ATOM 1085 C GLN A 70 9.621 2.629 7.670 1.00 0.43 C ATOM 1086 O GLN A 70 9.564 3.825 7.960 1.00 35.55 O ATOM 1087 CB GLN A 70 7.748 1.157 8.563 1.00 64.11 C ATOM 1088 CG GLN A 70 6.414 0.429 8.297 1.00 32.50 C ATOM 1089 CD GLN A 70 5.938 -0.374 9.501 1.00 12.02 C ATOM 1090 OE1 GLN A 70 6.350 -1.637 9.586 1.00 73.43 O flip ATOM 1091 NE2 GLN A 70 5.214 0.142 10.353 1.00 70.11 N flip ATOM 0 H GLN A 70 8.463 -0.079 6.544 1.00 22.44 H new ATOM 0 HA GLN A 70 7.600 2.596 6.963 1.00 4.40 H new ATOM 0 HB2 GLN A 70 8.477 0.436 8.932 1.00 64.11 H new ATOM 0 HB3 GLN A 70 7.599 1.893 9.353 1.00 64.11 H new ATOM 0 HG2 GLN A 70 5.652 1.160 8.028 1.00 32.50 H new ATOM 0 HG3 GLN A 70 6.532 -0.238 7.443 1.00 32.50 H new ATOM 0 HE21 GLN A 70 4.920 1.113 10.252 1.00 70.11 H new ATOM 0 HE22 GLN A 70 4.909 -0.402 11.160 1.00 70.11 H new ATOM 1100 N ASN A 71 10.781 1.917 7.589 1.00 2.32 N ATOM 1101 CA ASN A 71 12.119 2.482 7.886 1.00 53.42 C ATOM 1102 C ASN A 71 12.486 3.560 6.860 1.00 71.01 C ATOM 1103 O ASN A 71 12.797 4.700 7.236 1.00 50.42 O ATOM 1104 CB ASN A 71 13.224 1.368 7.916 1.00 73.10 C ATOM 1105 CG ASN A 71 13.116 0.419 9.115 1.00 72.12 C ATOM 1106 OD1 ASN A 71 12.664 0.798 10.193 1.00 70.14 O ATOM 1107 ND2 ASN A 71 13.537 -0.819 8.934 1.00 11.44 N ATOM 0 H ASN A 71 10.809 0.935 7.315 1.00 2.32 H new ATOM 0 HA ASN A 71 12.071 2.934 8.877 1.00 53.42 H new ATOM 0 HB2 ASN A 71 13.164 0.785 6.997 1.00 73.10 H new ATOM 0 HB3 ASN A 71 14.205 1.843 7.928 1.00 73.10 H new ATOM 0 HD21 ASN A 71 13.492 -1.490 9.701 1.00 11.44 H new ATOM 0 HD22 ASN A 71 13.907 -1.104 8.027 1.00 11.44 H new ATOM 1114 N GLU A 72 12.418 3.186 5.561 1.00 73.32 N ATOM 1115 CA GLU A 72 12.719 4.084 4.424 1.00 53.21 C ATOM 1116 C GLU A 72 11.843 5.345 4.476 1.00 31.44 C ATOM 1117 O GLU A 72 12.300 6.444 4.162 1.00 41.14 O ATOM 1118 CB GLU A 72 12.494 3.353 3.071 1.00 1.21 C ATOM 1119 CG GLU A 72 13.407 2.139 2.796 1.00 23.31 C ATOM 1120 CD GLU A 72 14.874 2.505 2.533 1.00 44.50 C ATOM 1121 OE1 GLU A 72 15.224 2.775 1.361 1.00 71.34 O ATOM 1122 OE2 GLU A 72 15.687 2.518 3.490 1.00 42.40 O ATOM 0 H GLU A 72 12.151 2.245 5.272 1.00 73.32 H new ATOM 0 HA GLU A 72 13.766 4.376 4.502 1.00 53.21 H new ATOM 0 HB2 GLU A 72 11.457 3.019 3.029 1.00 1.21 H new ATOM 0 HB3 GLU A 72 12.629 4.074 2.265 1.00 1.21 H new ATOM 0 HG2 GLU A 72 13.360 1.462 3.649 1.00 23.31 H new ATOM 0 HG3 GLU A 72 13.020 1.594 1.935 1.00 23.31 H new ATOM 1129 N ALA A 73 10.581 5.161 4.890 1.00 31.42 N ATOM 1130 CA ALA A 73 9.623 6.257 5.033 1.00 54.41 C ATOM 1131 C ALA A 73 10.022 7.230 6.175 1.00 61.14 C ATOM 1132 O ALA A 73 10.206 8.432 5.931 1.00 22.25 O ATOM 1133 CB ALA A 73 8.219 5.677 5.247 1.00 15.23 C ATOM 0 H ALA A 73 10.200 4.247 5.134 1.00 31.42 H new ATOM 0 HA ALA A 73 9.627 6.847 4.117 1.00 54.41 H new ATOM 0 HB1 ALA A 73 7.502 6.491 5.354 1.00 15.23 H new ATOM 0 HB2 ALA A 73 7.945 5.062 4.390 1.00 15.23 H new ATOM 0 HB3 ALA A 73 8.212 5.066 6.149 1.00 15.23 H new ATOM 1139 N LYS A 74 10.219 6.698 7.401 1.00 54.02 N ATOM 1140 CA LYS A 74 10.419 7.534 8.617 1.00 64.13 C ATOM 1141 C LYS A 74 11.781 8.261 8.629 1.00 40.21 C ATOM 1142 O LYS A 74 11.889 9.368 9.174 1.00 72.25 O ATOM 1143 CB LYS A 74 10.206 6.688 9.921 1.00 24.13 C ATOM 1144 CG LYS A 74 11.108 5.427 10.086 1.00 15.41 C ATOM 1145 CD LYS A 74 12.481 5.682 10.764 1.00 24.40 C ATOM 1146 CE LYS A 74 12.353 6.024 12.260 1.00 34.22 C ATOM 1147 NZ LYS A 74 13.675 6.111 12.924 1.00 61.44 N ATOM 0 H LYS A 74 10.245 5.694 7.580 1.00 54.02 H new ATOM 0 HA LYS A 74 9.660 8.315 8.589 1.00 64.13 H new ATOM 0 HB2 LYS A 74 10.368 7.339 10.780 1.00 24.13 H new ATOM 0 HB3 LYS A 74 9.164 6.369 9.955 1.00 24.13 H new ATOM 0 HG2 LYS A 74 10.564 4.685 10.670 1.00 15.41 H new ATOM 0 HG3 LYS A 74 11.282 4.993 9.101 1.00 15.41 H new ATOM 0 HD2 LYS A 74 13.107 4.797 10.651 1.00 24.40 H new ATOM 0 HD3 LYS A 74 12.988 6.499 10.251 1.00 24.40 H new ATOM 0 HE2 LYS A 74 11.828 6.973 12.371 1.00 34.22 H new ATOM 0 HE3 LYS A 74 11.748 5.265 12.755 1.00 34.22 H new ATOM 0 HZ1 LYS A 74 13.544 6.343 13.929 1.00 61.44 H new ATOM 0 HZ2 LYS A 74 14.166 5.198 12.840 1.00 61.44 H new ATOM 0 HZ3 LYS A 74 14.244 6.853 12.469 1.00 61.44 H new ATOM 1161 N LYS A 75 12.816 7.643 8.019 1.00 41.12 N ATOM 1162 CA LYS A 75 14.171 8.232 7.968 1.00 31.21 C ATOM 1163 C LYS A 75 14.226 9.393 6.955 1.00 62.22 C ATOM 1164 O LYS A 75 14.993 10.342 7.121 1.00 43.10 O ATOM 1165 CB LYS A 75 15.243 7.153 7.622 1.00 23.22 C ATOM 1166 CG LYS A 75 15.180 6.608 6.182 1.00 71.44 C ATOM 1167 CD LYS A 75 16.247 5.532 5.863 1.00 54.10 C ATOM 1168 CE LYS A 75 16.080 4.244 6.684 1.00 11.30 C ATOM 1169 NZ LYS A 75 16.975 3.166 6.193 1.00 20.32 N ATOM 0 H LYS A 75 12.738 6.738 7.556 1.00 41.12 H new ATOM 0 HA LYS A 75 14.398 8.627 8.958 1.00 31.21 H new ATOM 0 HB2 LYS A 75 16.232 7.579 7.790 1.00 23.22 H new ATOM 0 HB3 LYS A 75 15.133 6.319 8.315 1.00 23.22 H new ATOM 0 HG2 LYS A 75 14.191 6.185 6.009 1.00 71.44 H new ATOM 0 HG3 LYS A 75 15.298 7.438 5.486 1.00 71.44 H new ATOM 0 HD2 LYS A 75 16.199 5.287 4.802 1.00 54.10 H new ATOM 0 HD3 LYS A 75 17.238 5.947 6.049 1.00 54.10 H new ATOM 0 HE2 LYS A 75 16.297 4.449 7.732 1.00 11.30 H new ATOM 0 HE3 LYS A 75 15.044 3.910 6.632 1.00 11.30 H new ATOM 0 HZ1 LYS A 75 16.964 2.373 6.865 1.00 20.32 H new ATOM 0 HZ2 LYS A 75 16.644 2.837 5.263 1.00 20.32 H new ATOM 0 HZ3 LYS A 75 17.944 3.532 6.106 1.00 20.32 H new ATOM 1183 N GLU A 76 13.381 9.309 5.911 1.00 63.42 N ATOM 1184 CA GLU A 76 13.344 10.303 4.824 1.00 34.21 C ATOM 1185 C GLU A 76 12.200 11.316 5.010 1.00 5.25 C ATOM 1186 O GLU A 76 12.024 12.203 4.164 1.00 44.21 O ATOM 1187 CB GLU A 76 13.218 9.576 3.466 1.00 41.31 C ATOM 1188 CG GLU A 76 14.381 8.616 3.135 1.00 64.40 C ATOM 1189 CD GLU A 76 15.752 9.303 3.158 1.00 10.34 C ATOM 1190 OE1 GLU A 76 16.081 10.025 2.193 1.00 74.11 O ATOM 1191 OE2 GLU A 76 16.509 9.141 4.141 1.00 75.23 O ATOM 0 H GLU A 76 12.707 8.552 5.798 1.00 63.42 H new ATOM 0 HA GLU A 76 14.275 10.870 4.847 1.00 34.21 H new ATOM 0 HB2 GLU A 76 12.286 9.011 3.457 1.00 41.31 H new ATOM 0 HB3 GLU A 76 13.146 10.323 2.675 1.00 41.31 H new ATOM 0 HG2 GLU A 76 14.381 7.794 3.851 1.00 64.40 H new ATOM 0 HG3 GLU A 76 14.216 8.180 2.150 1.00 64.40 H new ATOM 1198 N GLY A 77 11.434 11.177 6.119 1.00 2.13 N ATOM 1199 CA GLY A 77 10.321 12.090 6.436 1.00 72.40 C ATOM 1200 C GLY A 77 9.081 11.867 5.573 1.00 53.32 C ATOM 1201 O GLY A 77 8.142 12.672 5.603 1.00 51.14 O ATOM 0 H GLY A 77 11.571 10.437 6.808 1.00 2.13 H new ATOM 0 HA2 GLY A 77 10.050 11.968 7.485 1.00 72.40 H new ATOM 0 HA3 GLY A 77 10.659 13.119 6.312 1.00 72.40 H new ATOM 1205 N VAL A 78 9.091 10.766 4.810 1.00 44.23 N ATOM 1206 CA VAL A 78 8.019 10.399 3.883 1.00 45.23 C ATOM 1207 C VAL A 78 6.840 9.825 4.675 1.00 22.32 C ATOM 1208 O VAL A 78 6.981 8.785 5.336 1.00 1.24 O ATOM 1209 CB VAL A 78 8.527 9.343 2.834 1.00 11.22 C ATOM 1210 CG1 VAL A 78 7.441 9.001 1.792 1.00 43.24 C ATOM 1211 CG2 VAL A 78 9.816 9.829 2.146 1.00 24.23 C ATOM 0 H VAL A 78 9.859 10.095 4.822 1.00 44.23 H new ATOM 0 HA VAL A 78 7.699 11.290 3.342 1.00 45.23 H new ATOM 0 HB VAL A 78 8.754 8.427 3.379 1.00 11.22 H new ATOM 0 HG11 VAL A 78 7.832 8.268 1.086 1.00 43.24 H new ATOM 0 HG12 VAL A 78 6.569 8.588 2.298 1.00 43.24 H new ATOM 0 HG13 VAL A 78 7.154 9.905 1.255 1.00 43.24 H new ATOM 0 HG21 VAL A 78 10.148 9.082 1.425 1.00 24.23 H new ATOM 0 HG22 VAL A 78 9.621 10.769 1.630 1.00 24.23 H new ATOM 0 HG23 VAL A 78 10.593 9.981 2.895 1.00 24.23 H new ATOM 1221 N SER A 79 5.697 10.520 4.618 1.00 50.13 N ATOM 1222 CA SER A 79 4.473 10.114 5.310 1.00 22.30 C ATOM 1223 C SER A 79 3.929 8.798 4.711 1.00 74.21 C ATOM 1224 O SER A 79 4.024 8.566 3.502 1.00 53.32 O ATOM 1225 CB SER A 79 3.420 11.251 5.229 1.00 42.44 C ATOM 1226 OG SER A 79 3.198 11.664 3.883 1.00 42.41 O ATOM 0 H SER A 79 5.598 11.385 4.086 1.00 50.13 H new ATOM 0 HA SER A 79 4.697 9.932 6.361 1.00 22.30 H new ATOM 0 HB2 SER A 79 2.481 10.910 5.665 1.00 42.44 H new ATOM 0 HB3 SER A 79 3.756 12.102 5.821 1.00 42.44 H new ATOM 0 HG SER A 79 2.529 12.380 3.867 1.00 42.41 H new ATOM 1232 N TYR A 80 3.384 7.945 5.576 1.00 41.14 N ATOM 1233 CA TYR A 80 2.819 6.642 5.200 1.00 2.33 C ATOM 1234 C TYR A 80 1.662 6.322 6.151 1.00 10.13 C ATOM 1235 O TYR A 80 1.374 7.102 7.068 1.00 24.24 O ATOM 1236 CB TYR A 80 3.914 5.528 5.238 1.00 24.14 C ATOM 1237 CG TYR A 80 4.411 5.140 6.643 1.00 1.31 C ATOM 1238 CD1 TYR A 80 5.369 5.905 7.321 1.00 41.11 C ATOM 1239 CD2 TYR A 80 3.918 3.998 7.295 1.00 45.14 C ATOM 1240 CE1 TYR A 80 5.806 5.545 8.583 1.00 35.31 C ATOM 1241 CE2 TYR A 80 4.356 3.650 8.553 1.00 21.04 C ATOM 1242 CZ TYR A 80 5.297 4.423 9.190 1.00 31.51 C ATOM 1243 OH TYR A 80 5.727 4.069 10.448 1.00 0.11 O ATOM 0 H TYR A 80 3.319 8.139 6.575 1.00 41.14 H new ATOM 0 HA TYR A 80 2.445 6.682 4.177 1.00 2.33 H new ATOM 0 HB2 TYR A 80 3.518 4.636 4.752 1.00 24.14 H new ATOM 0 HB3 TYR A 80 4.768 5.861 4.648 1.00 24.14 H new ATOM 0 HD1 TYR A 80 5.773 6.790 6.851 1.00 41.11 H new ATOM 0 HD2 TYR A 80 3.182 3.382 6.801 1.00 45.14 H new ATOM 0 HE1 TYR A 80 6.547 6.145 9.090 1.00 35.31 H new ATOM 0 HE2 TYR A 80 3.960 2.770 9.039 1.00 21.04 H new ATOM 0 HH TYR A 80 5.267 3.252 10.733 1.00 0.11 H new ATOM 1253 N ASP A 81 0.994 5.187 5.925 1.00 22.23 N ATOM 1254 CA ASP A 81 -0.057 4.688 6.822 1.00 11.33 C ATOM 1255 C ASP A 81 -0.198 3.176 6.656 1.00 2.41 C ATOM 1256 O ASP A 81 -0.403 2.698 5.546 1.00 74.11 O ATOM 1257 CB ASP A 81 -1.407 5.380 6.527 1.00 15.31 C ATOM 1258 CG ASP A 81 -2.490 5.022 7.551 1.00 21.31 C ATOM 1259 OD1 ASP A 81 -2.368 5.460 8.716 1.00 10.22 O ATOM 1260 OD2 ASP A 81 -3.449 4.293 7.215 1.00 11.14 O ATOM 0 H ASP A 81 1.165 4.588 5.117 1.00 22.23 H new ATOM 0 HA ASP A 81 0.226 4.916 7.850 1.00 11.33 H new ATOM 0 HB2 ASP A 81 -1.263 6.460 6.519 1.00 15.31 H new ATOM 0 HB3 ASP A 81 -1.746 5.096 5.531 1.00 15.31 H new ATOM 1265 N VAL A 82 -0.088 2.436 7.764 1.00 71.44 N ATOM 1266 CA VAL A 82 -0.202 0.966 7.762 1.00 63.22 C ATOM 1267 C VAL A 82 -1.675 0.558 7.926 1.00 70.25 C ATOM 1268 O VAL A 82 -2.355 0.990 8.869 1.00 24.01 O ATOM 1269 CB VAL A 82 0.665 0.292 8.899 1.00 33.13 C ATOM 1270 CG1 VAL A 82 0.536 -1.256 8.864 1.00 34.44 C ATOM 1271 CG2 VAL A 82 2.146 0.733 8.794 1.00 43.44 C ATOM 0 H VAL A 82 0.082 2.834 8.688 1.00 71.44 H new ATOM 0 HA VAL A 82 0.182 0.613 6.805 1.00 63.22 H new ATOM 0 HB VAL A 82 0.279 0.631 9.861 1.00 33.13 H new ATOM 0 HG11 VAL A 82 1.144 -1.690 9.658 1.00 34.44 H new ATOM 0 HG12 VAL A 82 -0.507 -1.538 9.010 1.00 34.44 H new ATOM 0 HG13 VAL A 82 0.880 -1.628 7.899 1.00 34.44 H new ATOM 0 HG21 VAL A 82 2.724 0.257 9.586 1.00 43.44 H new ATOM 0 HG22 VAL A 82 2.546 0.436 7.824 1.00 43.44 H new ATOM 0 HG23 VAL A 82 2.211 1.816 8.898 1.00 43.44 H new ATOM 1281 N LEU A 83 -2.151 -0.261 6.986 1.00 25.42 N ATOM 1282 CA LEU A 83 -3.499 -0.831 6.987 1.00 32.31 C ATOM 1283 C LEU A 83 -3.391 -2.358 7.093 1.00 54.24 C ATOM 1284 O LEU A 83 -3.112 -3.041 6.109 1.00 43.43 O ATOM 1285 CB LEU A 83 -4.244 -0.414 5.695 1.00 11.11 C ATOM 1286 CG LEU A 83 -5.668 -1.019 5.486 1.00 21.52 C ATOM 1287 CD1 LEU A 83 -6.629 -0.655 6.641 1.00 0.12 C ATOM 1288 CD2 LEU A 83 -6.231 -0.601 4.112 1.00 55.00 C ATOM 0 H LEU A 83 -1.595 -0.553 6.182 1.00 25.42 H new ATOM 0 HA LEU A 83 -4.067 -0.457 7.839 1.00 32.31 H new ATOM 0 HB2 LEU A 83 -4.330 0.673 5.687 1.00 11.11 H new ATOM 0 HB3 LEU A 83 -3.627 -0.691 4.841 1.00 11.11 H new ATOM 0 HG LEU A 83 -5.577 -2.105 5.498 1.00 21.52 H new ATOM 0 HD11 LEU A 83 -7.607 -1.097 6.453 1.00 0.12 H new ATOM 0 HD12 LEU A 83 -6.231 -1.040 7.580 1.00 0.12 H new ATOM 0 HD13 LEU A 83 -6.727 0.429 6.705 1.00 0.12 H new ATOM 0 HD21 LEU A 83 -7.224 -1.030 3.980 1.00 55.00 H new ATOM 0 HD22 LEU A 83 -6.295 0.486 4.061 1.00 55.00 H new ATOM 0 HD23 LEU A 83 -5.572 -0.963 3.323 1.00 55.00 H new ATOM 1300 N LYS A 84 -3.556 -2.875 8.313 1.00 51.44 N ATOM 1301 CA LYS A 84 -3.456 -4.315 8.592 1.00 31.42 C ATOM 1302 C LYS A 84 -4.876 -4.911 8.686 1.00 12.53 C ATOM 1303 O LYS A 84 -5.541 -4.753 9.717 1.00 24.03 O ATOM 1304 CB LYS A 84 -2.690 -4.539 9.927 1.00 63.44 C ATOM 1305 CG LYS A 84 -2.269 -6.008 10.180 1.00 25.51 C ATOM 1306 CD LYS A 84 -1.039 -6.432 9.348 1.00 63.43 C ATOM 1307 CE LYS A 84 0.254 -5.727 9.805 1.00 31.35 C ATOM 1308 NZ LYS A 84 0.607 -6.041 11.216 1.00 73.03 N ATOM 0 H LYS A 84 -3.763 -2.310 9.137 1.00 51.44 H new ATOM 0 HA LYS A 84 -2.910 -4.810 7.789 1.00 31.42 H new ATOM 0 HB2 LYS A 84 -1.799 -3.912 9.931 1.00 63.44 H new ATOM 0 HB3 LYS A 84 -3.318 -4.206 10.753 1.00 63.44 H new ATOM 0 HG2 LYS A 84 -2.048 -6.140 11.239 1.00 25.51 H new ATOM 0 HG3 LYS A 84 -3.105 -6.666 9.944 1.00 25.51 H new ATOM 0 HD2 LYS A 84 -0.907 -7.511 9.424 1.00 63.43 H new ATOM 0 HD3 LYS A 84 -1.220 -6.207 8.297 1.00 63.43 H new ATOM 0 HE2 LYS A 84 1.076 -6.025 9.154 1.00 31.35 H new ATOM 0 HE3 LYS A 84 0.134 -4.649 9.695 1.00 31.35 H new ATOM 0 HZ1 LYS A 84 1.581 -5.731 11.407 1.00 73.03 H new ATOM 0 HZ2 LYS A 84 -0.046 -5.546 11.856 1.00 73.03 H new ATOM 0 HZ3 LYS A 84 0.533 -7.067 11.372 1.00 73.03 H new ATOM 1322 N SER A 85 -5.346 -5.567 7.607 1.00 70.25 N ATOM 1323 CA SER A 85 -6.693 -6.176 7.573 1.00 42.12 C ATOM 1324 C SER A 85 -6.821 -7.191 6.430 1.00 42.21 C ATOM 1325 O SER A 85 -6.058 -7.160 5.459 1.00 44.33 O ATOM 1326 CB SER A 85 -7.795 -5.088 7.457 1.00 15.14 C ATOM 1327 OG SER A 85 -9.083 -5.658 7.269 1.00 55.54 O ATOM 0 H SER A 85 -4.813 -5.690 6.746 1.00 70.25 H new ATOM 0 HA SER A 85 -6.832 -6.708 8.514 1.00 42.12 H new ATOM 0 HB2 SER A 85 -7.797 -4.475 8.359 1.00 15.14 H new ATOM 0 HB3 SER A 85 -7.565 -4.426 6.622 1.00 15.14 H new ATOM 0 HG SER A 85 -9.763 -5.060 7.644 1.00 55.54 H new ATOM 1333 N THR A 86 -7.824 -8.070 6.569 1.00 60.15 N ATOM 1334 CA THR A 86 -8.115 -9.177 5.641 1.00 53.14 C ATOM 1335 C THR A 86 -9.568 -9.102 5.139 1.00 44.31 C ATOM 1336 O THR A 86 -10.036 -10.004 4.434 1.00 33.44 O ATOM 1337 CB THR A 86 -7.856 -10.542 6.363 1.00 4.12 C ATOM 1338 OG1 THR A 86 -8.617 -10.596 7.583 1.00 72.33 O ATOM 1339 CG2 THR A 86 -6.368 -10.752 6.693 1.00 20.05 C ATOM 0 H THR A 86 -8.475 -8.031 7.353 1.00 60.15 H new ATOM 0 HA THR A 86 -7.457 -9.096 4.776 1.00 53.14 H new ATOM 0 HB THR A 86 -8.166 -11.334 5.681 1.00 4.12 H new ATOM 0 HG1 THR A 86 -8.455 -11.452 8.032 1.00 72.33 H new ATOM 0 HG21 THR A 86 -6.238 -11.712 7.193 1.00 20.05 H new ATOM 0 HG22 THR A 86 -5.786 -10.741 5.772 1.00 20.05 H new ATOM 0 HG23 THR A 86 -6.024 -9.952 7.349 1.00 20.05 H new ATOM 1347 N ASP A 87 -10.272 -8.011 5.490 1.00 13.22 N ATOM 1348 CA ASP A 87 -11.693 -7.810 5.155 1.00 1.33 C ATOM 1349 C ASP A 87 -11.793 -7.067 3.806 1.00 42.12 C ATOM 1350 O ASP A 87 -11.346 -5.918 3.729 1.00 43.52 O ATOM 1351 CB ASP A 87 -12.386 -6.993 6.277 1.00 21.32 C ATOM 1352 CG ASP A 87 -12.296 -7.679 7.650 1.00 71.23 C ATOM 1353 OD1 ASP A 87 -11.189 -7.696 8.245 1.00 63.25 O ATOM 1354 OD2 ASP A 87 -13.319 -8.201 8.147 1.00 24.12 O ATOM 0 H ASP A 87 -9.867 -7.238 6.018 1.00 13.22 H new ATOM 0 HA ASP A 87 -12.194 -8.774 5.070 1.00 1.33 H new ATOM 0 HB2 ASP A 87 -11.928 -6.006 6.338 1.00 21.32 H new ATOM 0 HB3 ASP A 87 -13.434 -6.843 6.018 1.00 21.32 H new ATOM 1359 N PRO A 88 -12.361 -7.704 2.721 1.00 71.31 N ATOM 1360 CA PRO A 88 -12.391 -7.116 1.350 1.00 62.42 C ATOM 1361 C PRO A 88 -13.087 -5.740 1.296 1.00 31.45 C ATOM 1362 O PRO A 88 -12.510 -4.774 0.774 1.00 71.13 O ATOM 1363 CB PRO A 88 -13.133 -8.190 0.485 1.00 14.44 C ATOM 1364 CG PRO A 88 -13.860 -9.050 1.479 1.00 52.12 C ATOM 1365 CD PRO A 88 -13.002 -9.047 2.734 1.00 43.34 C ATOM 0 HA PRO A 88 -11.386 -6.907 0.982 1.00 62.42 H new ATOM 0 HB2 PRO A 88 -13.826 -7.724 -0.215 1.00 14.44 H new ATOM 0 HB3 PRO A 88 -12.429 -8.777 -0.106 1.00 14.44 H new ATOM 0 HG2 PRO A 88 -14.855 -8.655 1.684 1.00 52.12 H new ATOM 0 HG3 PRO A 88 -13.992 -10.063 1.098 1.00 52.12 H new ATOM 0 HD2 PRO A 88 -13.604 -9.195 3.631 1.00 43.34 H new ATOM 0 HD3 PRO A 88 -12.260 -9.845 2.713 1.00 43.34 H new ATOM 1373 N GLU A 89 -14.296 -5.650 1.888 1.00 35.32 N ATOM 1374 CA GLU A 89 -15.103 -4.416 1.854 1.00 3.32 C ATOM 1375 C GLU A 89 -14.400 -3.270 2.619 1.00 14.23 C ATOM 1376 O GLU A 89 -14.457 -2.113 2.187 1.00 42.31 O ATOM 1377 CB GLU A 89 -16.530 -4.656 2.429 1.00 0.25 C ATOM 1378 CG GLU A 89 -16.590 -4.889 3.956 1.00 2.01 C ATOM 1379 CD GLU A 89 -18.021 -5.014 4.489 1.00 41.05 C ATOM 1380 OE1 GLU A 89 -18.699 -3.973 4.624 1.00 54.24 O ATOM 1381 OE2 GLU A 89 -18.477 -6.143 4.768 1.00 43.40 O ATOM 0 H GLU A 89 -14.734 -6.419 2.395 1.00 35.32 H new ATOM 0 HA GLU A 89 -15.203 -4.122 0.809 1.00 3.32 H new ATOM 0 HB2 GLU A 89 -17.153 -3.796 2.183 1.00 0.25 H new ATOM 0 HB3 GLU A 89 -16.967 -5.520 1.928 1.00 0.25 H new ATOM 0 HG2 GLU A 89 -16.037 -5.796 4.201 1.00 2.01 H new ATOM 0 HG3 GLU A 89 -16.090 -4.064 4.463 1.00 2.01 H new ATOM 1388 N GLU A 90 -13.699 -3.617 3.735 1.00 12.14 N ATOM 1389 CA GLU A 90 -13.001 -2.629 4.569 1.00 52.12 C ATOM 1390 C GLU A 90 -11.838 -2.023 3.788 1.00 23.22 C ATOM 1391 O GLU A 90 -11.804 -0.814 3.583 1.00 4.42 O ATOM 1392 CB GLU A 90 -12.507 -3.226 5.916 1.00 52.23 C ATOM 1393 CG GLU A 90 -11.642 -2.239 6.753 1.00 72.42 C ATOM 1394 CD GLU A 90 -11.454 -2.650 8.214 1.00 22.12 C ATOM 1395 OE1 GLU A 90 -10.769 -3.648 8.471 1.00 12.44 O ATOM 1396 OE2 GLU A 90 -11.995 -1.966 9.115 1.00 11.52 O ATOM 0 H GLU A 90 -13.610 -4.577 4.068 1.00 12.14 H new ATOM 0 HA GLU A 90 -13.718 -1.847 4.821 1.00 52.12 H new ATOM 0 HB2 GLU A 90 -13.370 -3.531 6.507 1.00 52.23 H new ATOM 0 HB3 GLU A 90 -11.925 -4.125 5.714 1.00 52.23 H new ATOM 0 HG2 GLU A 90 -10.662 -2.146 6.285 1.00 72.42 H new ATOM 0 HG3 GLU A 90 -12.105 -1.253 6.722 1.00 72.42 H new ATOM 1403 N LEU A 91 -10.934 -2.894 3.288 1.00 11.35 N ATOM 1404 CA LEU A 91 -9.748 -2.470 2.520 1.00 23.33 C ATOM 1405 C LEU A 91 -10.150 -1.568 1.325 1.00 15.33 C ATOM 1406 O LEU A 91 -9.468 -0.584 1.036 1.00 31.11 O ATOM 1407 CB LEU A 91 -8.939 -3.702 2.023 1.00 42.45 C ATOM 1408 CG LEU A 91 -8.379 -4.672 3.113 1.00 12.33 C ATOM 1409 CD1 LEU A 91 -7.629 -5.861 2.472 1.00 61.15 C ATOM 1410 CD2 LEU A 91 -7.472 -3.933 4.105 1.00 63.35 C ATOM 0 H LEU A 91 -11.007 -3.905 3.406 1.00 11.35 H new ATOM 0 HA LEU A 91 -9.112 -1.888 3.187 1.00 23.33 H new ATOM 0 HB2 LEU A 91 -9.577 -4.278 1.353 1.00 42.45 H new ATOM 0 HB3 LEU A 91 -8.100 -3.339 1.430 1.00 42.45 H new ATOM 0 HG LEU A 91 -9.232 -5.067 3.666 1.00 12.33 H new ATOM 0 HD11 LEU A 91 -7.251 -6.518 3.256 1.00 61.15 H new ATOM 0 HD12 LEU A 91 -8.311 -6.418 1.829 1.00 61.15 H new ATOM 0 HD13 LEU A 91 -6.795 -5.487 1.878 1.00 61.15 H new ATOM 0 HD21 LEU A 91 -7.099 -4.636 4.850 1.00 63.35 H new ATOM 0 HD22 LEU A 91 -6.631 -3.491 3.570 1.00 63.35 H new ATOM 0 HD23 LEU A 91 -8.040 -3.146 4.601 1.00 63.35 H new ATOM 1422 N THR A 92 -11.296 -1.904 0.678 1.00 43.32 N ATOM 1423 CA THR A 92 -11.851 -1.140 -0.462 1.00 0.02 C ATOM 1424 C THR A 92 -12.290 0.284 -0.040 1.00 61.14 C ATOM 1425 O THR A 92 -11.945 1.266 -0.723 1.00 2.25 O ATOM 1426 CB THR A 92 -13.049 -1.911 -1.133 1.00 73.32 C ATOM 1427 OG1 THR A 92 -12.618 -3.218 -1.555 1.00 25.35 O ATOM 1428 CG2 THR A 92 -13.623 -1.162 -2.355 1.00 42.11 C ATOM 0 H THR A 92 -11.860 -2.714 0.935 1.00 43.32 H new ATOM 0 HA THR A 92 -11.053 -1.037 -1.197 1.00 0.02 H new ATOM 0 HB THR A 92 -13.835 -1.987 -0.381 1.00 73.32 H new ATOM 0 HG1 THR A 92 -12.544 -3.806 -0.774 1.00 25.35 H new ATOM 0 HG21 THR A 92 -14.446 -1.736 -2.780 1.00 42.11 H new ATOM 0 HG22 THR A 92 -13.987 -0.183 -2.044 1.00 42.11 H new ATOM 0 HG23 THR A 92 -12.842 -1.037 -3.105 1.00 42.11 H new ATOM 1436 N GLN A 93 -13.026 0.413 1.098 1.00 65.44 N ATOM 1437 CA GLN A 93 -13.478 1.737 1.575 1.00 21.41 C ATOM 1438 C GLN A 93 -12.314 2.549 2.154 1.00 33.43 C ATOM 1439 O GLN A 93 -12.385 3.770 2.195 1.00 60.35 O ATOM 1440 CB GLN A 93 -14.708 1.663 2.554 1.00 44.00 C ATOM 1441 CG GLN A 93 -14.582 0.806 3.847 1.00 62.33 C ATOM 1442 CD GLN A 93 -13.716 1.385 4.982 1.00 31.43 C ATOM 1443 OE1 GLN A 93 -13.141 0.638 5.775 1.00 71.42 O ATOM 1444 NE2 GLN A 93 -13.623 2.705 5.088 1.00 40.42 N ATOM 0 H GLN A 93 -13.311 -0.370 1.687 1.00 65.44 H new ATOM 0 HA GLN A 93 -13.845 2.271 0.699 1.00 21.41 H new ATOM 0 HB2 GLN A 93 -14.953 2.682 2.855 1.00 44.00 H new ATOM 0 HB3 GLN A 93 -15.559 1.284 1.988 1.00 44.00 H new ATOM 0 HG2 GLN A 93 -15.584 0.633 4.239 1.00 62.33 H new ATOM 0 HG3 GLN A 93 -14.175 -0.167 3.572 1.00 62.33 H new ATOM 0 HE21 GLN A 93 -14.107 3.306 4.421 1.00 40.42 H new ATOM 0 HE22 GLN A 93 -13.067 3.119 5.837 1.00 40.42 H new ATOM 1453 N ARG A 94 -11.231 1.864 2.576 1.00 32.54 N ATOM 1454 CA ARG A 94 -10.013 2.537 3.063 1.00 3.45 C ATOM 1455 C ARG A 94 -9.271 3.224 1.913 1.00 11.24 C ATOM 1456 O ARG A 94 -8.721 4.307 2.107 1.00 34.31 O ATOM 1457 CB ARG A 94 -9.055 1.555 3.780 1.00 75.12 C ATOM 1458 CG ARG A 94 -9.635 0.873 5.032 1.00 14.50 C ATOM 1459 CD ARG A 94 -10.092 1.855 6.119 1.00 50.22 C ATOM 1460 NE ARG A 94 -10.510 1.140 7.336 1.00 74.14 N ATOM 1461 CZ ARG A 94 -9.784 1.038 8.457 1.00 41.31 C ATOM 1462 NH1 ARG A 94 -8.588 1.613 8.555 1.00 3.14 N ATOM 1463 NH2 ARG A 94 -10.250 0.341 9.468 1.00 44.32 N ATOM 0 H ARG A 94 -11.177 0.846 2.589 1.00 32.54 H new ATOM 0 HA ARG A 94 -10.337 3.287 3.785 1.00 3.45 H new ATOM 0 HB2 ARG A 94 -8.754 0.783 3.072 1.00 75.12 H new ATOM 0 HB3 ARG A 94 -8.152 2.096 4.065 1.00 75.12 H new ATOM 0 HG2 ARG A 94 -10.482 0.253 4.737 1.00 14.50 H new ATOM 0 HG3 ARG A 94 -8.882 0.206 5.452 1.00 14.50 H new ATOM 0 HD2 ARG A 94 -9.280 2.542 6.358 1.00 50.22 H new ATOM 0 HD3 ARG A 94 -10.920 2.457 5.745 1.00 50.22 H new ATOM 0 HE ARG A 94 -11.424 0.687 7.325 1.00 74.14 H new ATOM 0 HH11 ARG A 94 -8.210 2.142 7.769 1.00 3.14 H new ATOM 0 HH12 ARG A 94 -8.049 1.525 9.416 1.00 3.14 H new ATOM 0 HH21 ARG A 94 -11.158 -0.118 9.396 1.00 44.32 H new ATOM 0 HH22 ARG A 94 -9.704 0.258 10.325 1.00 44.32 H new ATOM 1477 N VAL A 95 -9.252 2.573 0.719 1.00 32.23 N ATOM 1478 CA VAL A 95 -8.605 3.126 -0.492 1.00 70.14 C ATOM 1479 C VAL A 95 -9.188 4.516 -0.817 1.00 52.54 C ATOM 1480 O VAL A 95 -8.458 5.504 -0.875 1.00 71.20 O ATOM 1481 CB VAL A 95 -8.761 2.173 -1.748 1.00 75.24 C ATOM 1482 CG1 VAL A 95 -8.164 2.811 -3.031 1.00 52.43 C ATOM 1483 CG2 VAL A 95 -8.131 0.784 -1.486 1.00 3.54 C ATOM 0 H VAL A 95 -9.682 1.659 0.574 1.00 32.23 H new ATOM 0 HA VAL A 95 -7.540 3.212 -0.276 1.00 70.14 H new ATOM 0 HB VAL A 95 -9.830 2.035 -1.911 1.00 75.24 H new ATOM 0 HG11 VAL A 95 -8.290 2.127 -3.870 1.00 52.43 H new ATOM 0 HG12 VAL A 95 -8.679 3.747 -3.245 1.00 52.43 H new ATOM 0 HG13 VAL A 95 -7.103 3.007 -2.880 1.00 52.43 H new ATOM 0 HG21 VAL A 95 -8.256 0.156 -2.368 1.00 3.54 H new ATOM 0 HG22 VAL A 95 -7.069 0.901 -1.271 1.00 3.54 H new ATOM 0 HG23 VAL A 95 -8.624 0.316 -0.634 1.00 3.54 H new ATOM 1493 N ARG A 96 -10.528 4.573 -0.953 1.00 52.02 N ATOM 1494 CA ARG A 96 -11.234 5.804 -1.348 1.00 22.41 C ATOM 1495 C ARG A 96 -11.154 6.895 -0.271 1.00 22.02 C ATOM 1496 O ARG A 96 -10.962 8.069 -0.604 1.00 33.35 O ATOM 1497 CB ARG A 96 -12.703 5.492 -1.713 1.00 33.41 C ATOM 1498 CG ARG A 96 -13.546 4.827 -0.610 1.00 14.42 C ATOM 1499 CD ARG A 96 -14.944 4.433 -1.105 1.00 1.30 C ATOM 1500 NE ARG A 96 -14.878 3.615 -2.332 1.00 13.22 N ATOM 1501 CZ ARG A 96 -15.316 2.356 -2.468 1.00 75.43 C ATOM 1502 NH1 ARG A 96 -15.883 1.703 -1.457 1.00 72.20 N ATOM 1503 NH2 ARG A 96 -15.178 1.750 -3.637 1.00 44.31 N ATOM 0 H ARG A 96 -11.144 3.776 -0.794 1.00 52.02 H new ATOM 0 HA ARG A 96 -10.730 6.197 -2.231 1.00 22.41 H new ATOM 0 HB2 ARG A 96 -13.190 6.423 -2.003 1.00 33.41 H new ATOM 0 HB3 ARG A 96 -12.709 4.843 -2.588 1.00 33.41 H new ATOM 0 HG2 ARG A 96 -13.029 3.940 -0.245 1.00 14.42 H new ATOM 0 HG3 ARG A 96 -13.641 5.510 0.234 1.00 14.42 H new ATOM 0 HD2 ARG A 96 -15.463 3.877 -0.324 1.00 1.30 H new ATOM 0 HD3 ARG A 96 -15.529 5.332 -1.298 1.00 1.30 H new ATOM 0 HE ARG A 96 -14.459 4.049 -3.154 1.00 13.22 H new ATOM 0 HH11 ARG A 96 -15.993 2.160 -0.552 1.00 72.20 H new ATOM 0 HH12 ARG A 96 -16.208 0.745 -1.587 1.00 72.20 H new ATOM 0 HH21 ARG A 96 -14.743 2.241 -4.418 1.00 44.31 H new ATOM 0 HH22 ARG A 96 -15.506 0.792 -3.757 1.00 44.31 H new ATOM 1517 N GLU A 97 -11.272 6.503 1.019 1.00 32.23 N ATOM 1518 CA GLU A 97 -11.186 7.454 2.149 1.00 61.41 C ATOM 1519 C GLU A 97 -9.782 8.060 2.252 1.00 55.13 C ATOM 1520 O GLU A 97 -9.633 9.234 2.617 1.00 24.25 O ATOM 1521 CB GLU A 97 -11.586 6.774 3.487 1.00 53.14 C ATOM 1522 CG GLU A 97 -13.080 6.416 3.587 1.00 10.41 C ATOM 1523 CD GLU A 97 -14.001 7.631 3.396 1.00 14.32 C ATOM 1524 OE1 GLU A 97 -14.095 8.460 4.324 1.00 24.54 O ATOM 1525 OE2 GLU A 97 -14.630 7.769 2.324 1.00 1.25 O ATOM 0 H GLU A 97 -11.427 5.535 1.302 1.00 32.23 H new ATOM 0 HA GLU A 97 -11.893 8.261 1.955 1.00 61.41 H new ATOM 0 HB2 GLU A 97 -10.996 5.866 3.611 1.00 53.14 H new ATOM 0 HB3 GLU A 97 -11.326 7.438 4.312 1.00 53.14 H new ATOM 0 HG2 GLU A 97 -13.319 5.664 2.835 1.00 10.41 H new ATOM 0 HG3 GLU A 97 -13.276 5.967 4.561 1.00 10.41 H new ATOM 1532 N PHE A 98 -8.768 7.247 1.905 1.00 51.22 N ATOM 1533 CA PHE A 98 -7.360 7.655 1.927 1.00 22.42 C ATOM 1534 C PHE A 98 -7.074 8.678 0.813 1.00 72.34 C ATOM 1535 O PHE A 98 -6.475 9.726 1.064 1.00 71.22 O ATOM 1536 CB PHE A 98 -6.430 6.421 1.778 1.00 30.14 C ATOM 1537 CG PHE A 98 -4.952 6.775 1.814 1.00 2.24 C ATOM 1538 CD1 PHE A 98 -4.319 7.031 3.031 1.00 70.42 C ATOM 1539 CD2 PHE A 98 -4.206 6.903 0.633 1.00 60.24 C ATOM 1540 CE1 PHE A 98 -2.995 7.391 3.067 1.00 74.15 C ATOM 1541 CE2 PHE A 98 -2.880 7.259 0.681 1.00 10.33 C ATOM 1542 CZ PHE A 98 -2.283 7.511 1.894 1.00 2.11 C ATOM 0 H PHE A 98 -8.908 6.284 1.600 1.00 51.22 H new ATOM 0 HA PHE A 98 -7.158 8.126 2.889 1.00 22.42 H new ATOM 0 HB2 PHE A 98 -6.647 5.713 2.578 1.00 30.14 H new ATOM 0 HB3 PHE A 98 -6.653 5.918 0.837 1.00 30.14 H new ATOM 0 HD1 PHE A 98 -4.876 6.945 3.952 1.00 70.42 H new ATOM 0 HD2 PHE A 98 -4.678 6.720 -0.321 1.00 60.24 H new ATOM 0 HE1 PHE A 98 -2.512 7.580 4.014 1.00 74.15 H new ATOM 0 HE2 PHE A 98 -2.308 7.341 -0.231 1.00 10.33 H new ATOM 0 HZ PHE A 98 -1.245 7.806 1.927 1.00 2.11 H new ATOM 1552 N LEU A 99 -7.513 8.348 -0.418 1.00 74.52 N ATOM 1553 CA LEU A 99 -7.305 9.198 -1.613 1.00 62.41 C ATOM 1554 C LEU A 99 -8.042 10.544 -1.475 1.00 61.53 C ATOM 1555 O LEU A 99 -7.584 11.570 -1.989 1.00 23.25 O ATOM 1556 CB LEU A 99 -7.804 8.445 -2.874 1.00 73.34 C ATOM 1557 CG LEU A 99 -7.072 7.102 -3.196 1.00 2.03 C ATOM 1558 CD1 LEU A 99 -7.857 6.282 -4.241 1.00 51.41 C ATOM 1559 CD2 LEU A 99 -5.610 7.350 -3.640 1.00 61.34 C ATOM 0 H LEU A 99 -8.022 7.486 -0.614 1.00 74.52 H new ATOM 0 HA LEU A 99 -6.240 9.408 -1.708 1.00 62.41 H new ATOM 0 HB2 LEU A 99 -8.867 8.238 -2.754 1.00 73.34 H new ATOM 0 HB3 LEU A 99 -7.703 9.107 -3.734 1.00 73.34 H new ATOM 0 HG LEU A 99 -7.033 6.512 -2.280 1.00 2.03 H new ATOM 0 HD11 LEU A 99 -7.326 5.352 -4.447 1.00 51.41 H new ATOM 0 HD12 LEU A 99 -8.850 6.055 -3.854 1.00 51.41 H new ATOM 0 HD13 LEU A 99 -7.950 6.859 -5.161 1.00 51.41 H new ATOM 0 HD21 LEU A 99 -5.129 6.396 -3.856 1.00 61.34 H new ATOM 0 HD22 LEU A 99 -5.602 7.972 -4.535 1.00 61.34 H new ATOM 0 HD23 LEU A 99 -5.068 7.857 -2.841 1.00 61.34 H new ATOM 1571 N LYS A 100 -9.179 10.505 -0.761 1.00 31.33 N ATOM 1572 CA LYS A 100 -10.049 11.668 -0.535 1.00 1.45 C ATOM 1573 C LYS A 100 -9.407 12.617 0.500 1.00 64.11 C ATOM 1574 O LYS A 100 -9.343 13.828 0.271 1.00 34.53 O ATOM 1575 CB LYS A 100 -11.467 11.178 -0.089 1.00 53.31 C ATOM 1576 CG LYS A 100 -12.586 12.258 -0.032 1.00 1.23 C ATOM 1577 CD LYS A 100 -12.702 12.974 1.335 1.00 51.52 C ATOM 1578 CE LYS A 100 -13.823 14.025 1.358 1.00 53.24 C ATOM 1579 NZ LYS A 100 -15.141 13.448 0.976 1.00 65.45 N ATOM 0 H LYS A 100 -9.523 9.653 -0.319 1.00 31.33 H new ATOM 0 HA LYS A 100 -10.166 12.233 -1.460 1.00 1.45 H new ATOM 0 HB2 LYS A 100 -11.787 10.391 -0.772 1.00 53.31 H new ATOM 0 HB3 LYS A 100 -11.377 10.726 0.899 1.00 53.31 H new ATOM 0 HG2 LYS A 100 -12.398 13.003 -0.805 1.00 1.23 H new ATOM 0 HG3 LYS A 100 -13.541 11.789 -0.267 1.00 1.23 H new ATOM 0 HD2 LYS A 100 -12.886 12.234 2.114 1.00 51.52 H new ATOM 0 HD3 LYS A 100 -11.753 13.455 1.571 1.00 51.52 H new ATOM 0 HE2 LYS A 100 -13.893 14.458 2.356 1.00 53.24 H new ATOM 0 HE3 LYS A 100 -13.572 14.837 0.675 1.00 53.24 H new ATOM 0 HZ1 LYS A 100 -15.895 14.129 1.198 1.00 65.45 H new ATOM 0 HZ2 LYS A 100 -15.148 13.244 -0.044 1.00 65.45 H new ATOM 0 HZ3 LYS A 100 -15.302 12.568 1.506 1.00 65.45 H new ATOM 1593 N THR A 101 -8.923 12.058 1.641 1.00 43.32 N ATOM 1594 CA THR A 101 -8.315 12.875 2.713 1.00 1.33 C ATOM 1595 C THR A 101 -6.954 13.454 2.271 1.00 32.40 C ATOM 1596 O THR A 101 -6.696 14.656 2.454 1.00 41.43 O ATOM 1597 CB THR A 101 -8.161 12.107 4.086 1.00 31.33 C ATOM 1598 OG1 THR A 101 -7.619 12.999 5.085 1.00 73.31 O ATOM 1599 CG2 THR A 101 -7.262 10.858 4.006 1.00 30.32 C ATOM 0 H THR A 101 -8.944 11.057 1.836 1.00 43.32 H new ATOM 0 HA THR A 101 -9.015 13.692 2.889 1.00 1.33 H new ATOM 0 HB THR A 101 -9.162 11.767 4.352 1.00 31.33 H new ATOM 0 HG1 THR A 101 -7.526 12.520 5.935 1.00 73.31 H new ATOM 0 HG21 THR A 101 -7.206 10.386 4.987 1.00 30.32 H new ATOM 0 HG22 THR A 101 -7.681 10.153 3.288 1.00 30.32 H new ATOM 0 HG23 THR A 101 -6.262 11.150 3.686 1.00 30.32 H new ATOM 1607 N ALA A 102 -6.102 12.591 1.674 1.00 74.20 N ATOM 1608 CA ALA A 102 -4.737 12.950 1.267 1.00 41.50 C ATOM 1609 C ALA A 102 -4.787 13.923 0.078 1.00 54.50 C ATOM 1610 O ALA A 102 -4.267 15.046 0.158 1.00 53.42 O ATOM 1611 CB ALA A 102 -3.929 11.686 0.927 1.00 20.41 C ATOM 0 H ALA A 102 -6.349 11.624 1.463 1.00 74.20 H new ATOM 0 HA ALA A 102 -4.233 13.450 2.095 1.00 41.50 H new ATOM 0 HB1 ALA A 102 -2.920 11.969 0.627 1.00 20.41 H new ATOM 0 HB2 ALA A 102 -3.879 11.039 1.803 1.00 20.41 H new ATOM 0 HB3 ALA A 102 -4.414 11.153 0.109 1.00 20.41 H new