USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 672 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 61 GLN : amide:sc= 0.182 K(o=0.23,f=-0.92) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.0505 X(o=0.23,f=0.14) USER MOD Set 2.1: A 17 MET CE :methyl 176:sc= -0.0946 (180deg=-0.137) USER MOD Set 2.2: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 15 SER OG : rot -110:sc=-0.00805 USER MOD Set 3.2: A 78 LYS NZ :NH3+ -112:sc= -1.39 (180deg=-3.17!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.737 K(o=0.74,f=-0.22) USER MOD Single : A 12 ASN : amide:sc= -0.548 K(o=-0.55,f=-3.3!) USER MOD Single : A 14 HIS : no HD1:sc= -0.0659 X(o=-0.066,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 1.93 K(o=1.9,f=-5.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0191) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 43 THR OG1 : rot -24:sc= -0.498 USER MOD Single : A 44 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.69) USER MOD Single : A 46 ASN : amide:sc= 1.08 K(o=1.1,f=-1.3) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.0246 F(o=-1.1,f=-0.025) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 70 HIS : no HD1:sc= -0.0499 X(o=-0.05,f=-0.32) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0411 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= 1.02 (180deg=0.764) USER MOD ----------------------------------------------------------------- ATOM 42 N ASP A 4 9.703 9.721 -1.674 1.00 31.42 N ATOM 43 CA ASP A 4 9.858 8.295 -1.474 1.00 64.22 C ATOM 44 C ASP A 4 8.582 7.720 -0.903 1.00 43.55 C ATOM 45 O ASP A 4 8.387 7.564 0.303 1.00 74.02 O ATOM 46 CB ASP A 4 11.116 7.966 -0.676 1.00 42.41 C ATOM 47 CG ASP A 4 12.382 8.541 -1.317 1.00 11.51 C ATOM 48 OD1 ASP A 4 13.183 7.749 -1.854 1.00 20.31 O ATOM 49 OD2 ASP A 4 12.494 9.792 -1.420 1.00 41.45 O ATOM 0 HA ASP A 4 10.017 7.806 -2.435 1.00 64.22 H new ATOM 0 HB2 ASP A 4 11.014 8.359 0.336 1.00 42.41 H new ATOM 0 HB3 ASP A 4 11.215 6.884 -0.590 1.00 42.41 H new ATOM 54 N THR A 5 7.685 7.450 -1.831 1.00 71.35 N ATOM 55 CA THR A 5 6.344 6.990 -1.563 1.00 12.10 C ATOM 56 C THR A 5 6.250 5.588 -2.142 1.00 53.42 C ATOM 57 O THR A 5 6.907 5.297 -3.142 1.00 0.22 O ATOM 58 CB THR A 5 5.376 7.991 -2.212 1.00 41.11 C ATOM 59 OG1 THR A 5 5.629 9.302 -1.737 1.00 62.03 O ATOM 60 CG2 THR A 5 3.892 7.662 -2.039 1.00 71.25 C ATOM 0 H THR A 5 7.881 7.550 -2.827 1.00 71.35 H new ATOM 0 HA THR A 5 6.090 6.939 -0.504 1.00 12.10 H new ATOM 0 HB THR A 5 5.574 7.919 -3.281 1.00 41.11 H new ATOM 0 HG1 THR A 5 5.006 9.929 -2.160 1.00 62.03 H new ATOM 0 HG21 THR A 5 3.290 8.426 -2.531 1.00 71.25 H new ATOM 0 HG22 THR A 5 3.680 6.690 -2.485 1.00 71.25 H new ATOM 0 HG23 THR A 5 3.647 7.635 -0.977 1.00 71.25 H new ATOM 68 N ILE A 6 5.413 4.737 -1.561 1.00 61.21 N ATOM 69 CA ILE A 6 5.017 3.485 -2.189 1.00 42.15 C ATOM 70 C ILE A 6 3.532 3.668 -2.492 1.00 51.55 C ATOM 71 O ILE A 6 2.791 4.192 -1.655 1.00 52.23 O ATOM 72 CB ILE A 6 5.368 2.268 -1.299 1.00 22.30 C ATOM 73 CG1 ILE A 6 6.855 2.293 -0.866 1.00 20.11 C ATOM 74 CG2 ILE A 6 5.000 0.962 -2.023 1.00 31.03 C ATOM 75 CD1 ILE A 6 7.257 1.142 0.061 1.00 20.24 C ATOM 0 H ILE A 6 4.992 4.895 -0.646 1.00 61.21 H new ATOM 0 HA ILE A 6 5.557 3.264 -3.110 1.00 42.15 H new ATOM 0 HB ILE A 6 4.778 2.324 -0.384 1.00 22.30 H new ATOM 0 HG12 ILE A 6 7.482 2.263 -1.757 1.00 20.11 H new ATOM 0 HG13 ILE A 6 7.060 3.238 -0.363 1.00 20.11 H new ATOM 0 HG21 ILE A 6 5.251 0.111 -1.389 1.00 31.03 H new ATOM 0 HG22 ILE A 6 3.931 0.953 -2.236 1.00 31.03 H new ATOM 0 HG23 ILE A 6 5.557 0.895 -2.957 1.00 31.03 H new ATOM 0 HD11 ILE A 6 8.313 1.233 0.317 1.00 20.24 H new ATOM 0 HD12 ILE A 6 6.658 1.181 0.971 1.00 20.24 H new ATOM 0 HD13 ILE A 6 7.087 0.191 -0.444 1.00 20.24 H new ATOM 87 N ILE A 7 3.111 3.308 -3.699 1.00 54.34 N ATOM 88 CA ILE A 7 1.718 3.305 -4.129 1.00 22.31 C ATOM 89 C ILE A 7 1.313 1.837 -4.210 1.00 1.42 C ATOM 90 O ILE A 7 2.112 1.002 -4.633 1.00 34.14 O ATOM 91 CB ILE A 7 1.541 4.074 -5.465 1.00 23.41 C ATOM 92 CG1 ILE A 7 2.178 5.477 -5.307 1.00 71.34 C ATOM 93 CG2 ILE A 7 0.053 4.162 -5.860 1.00 12.43 C ATOM 94 CD1 ILE A 7 1.863 6.495 -6.406 1.00 54.44 C ATOM 0 H ILE A 7 3.752 3.000 -4.430 1.00 54.34 H new ATOM 0 HA ILE A 7 1.068 3.830 -3.430 1.00 22.31 H new ATOM 0 HB ILE A 7 2.043 3.540 -6.272 1.00 23.41 H new ATOM 0 HG12 ILE A 7 1.855 5.893 -4.353 1.00 71.34 H new ATOM 0 HG13 ILE A 7 3.260 5.357 -5.252 1.00 71.34 H new ATOM 0 HG21 ILE A 7 -0.042 4.706 -6.800 1.00 12.43 H new ATOM 0 HG22 ILE A 7 -0.352 3.157 -5.980 1.00 12.43 H new ATOM 0 HG23 ILE A 7 -0.500 4.685 -5.080 1.00 12.43 H new ATOM 0 HD11 ILE A 7 2.365 7.437 -6.184 1.00 54.44 H new ATOM 0 HD12 ILE A 7 2.213 6.115 -7.366 1.00 54.44 H new ATOM 0 HD13 ILE A 7 0.786 6.659 -6.452 1.00 54.44 H new ATOM 106 N LEU A 8 0.089 1.524 -3.793 1.00 34.34 N ATOM 107 CA LEU A 8 -0.493 0.196 -3.923 1.00 14.22 C ATOM 108 C LEU A 8 -1.664 0.277 -4.887 1.00 54.21 C ATOM 109 O LEU A 8 -2.315 1.322 -4.963 1.00 23.13 O ATOM 110 CB LEU A 8 -0.985 -0.326 -2.565 1.00 24.32 C ATOM 111 CG LEU A 8 0.061 -1.135 -1.780 1.00 41.31 C ATOM 112 CD1 LEU A 8 1.282 -0.313 -1.361 1.00 53.15 C ATOM 113 CD2 LEU A 8 -0.624 -1.677 -0.527 1.00 34.14 C ATOM 0 H LEU A 8 -0.534 2.198 -3.349 1.00 34.34 H new ATOM 0 HA LEU A 8 0.267 -0.491 -4.295 1.00 14.22 H new ATOM 0 HB2 LEU A 8 -1.303 0.521 -1.957 1.00 24.32 H new ATOM 0 HB3 LEU A 8 -1.864 -0.950 -2.726 1.00 24.32 H new ATOM 0 HG LEU A 8 0.431 -1.926 -2.432 1.00 41.31 H new ATOM 0 HD11 LEU A 8 1.977 -0.948 -0.812 1.00 53.15 H new ATOM 0 HD12 LEU A 8 1.776 0.083 -2.248 1.00 53.15 H new ATOM 0 HD13 LEU A 8 0.964 0.512 -0.724 1.00 53.15 H new ATOM 0 HD21 LEU A 8 0.091 -2.258 0.056 1.00 34.14 H new ATOM 0 HD22 LEU A 8 -0.993 -0.846 0.075 1.00 34.14 H new ATOM 0 HD23 LEU A 8 -1.460 -2.314 -0.816 1.00 34.14 H new ATOM 125 N ARG A 9 -2.001 -0.833 -5.545 1.00 13.22 N ATOM 126 CA ARG A 9 -3.191 -0.958 -6.392 1.00 62.02 C ATOM 127 C ARG A 9 -3.927 -2.248 -6.079 1.00 43.50 C ATOM 128 O ARG A 9 -3.440 -3.069 -5.302 1.00 62.20 O ATOM 129 CB ARG A 9 -2.863 -0.927 -7.898 1.00 14.33 C ATOM 130 CG ARG A 9 -1.581 -0.204 -8.311 1.00 2.52 C ATOM 131 CD ARG A 9 -1.435 -0.162 -9.846 1.00 31.45 C ATOM 132 NE ARG A 9 -2.494 0.638 -10.470 1.00 72.10 N ATOM 133 CZ ARG A 9 -2.685 1.943 -10.249 1.00 62.02 C ATOM 134 NH1 ARG A 9 -1.763 2.688 -9.643 1.00 32.25 N ATOM 135 NH2 ARG A 9 -3.827 2.509 -10.616 1.00 33.05 N ATOM 0 H ARG A 9 -1.445 -1.687 -5.504 1.00 13.22 H new ATOM 0 HA ARG A 9 -3.817 -0.094 -6.168 1.00 62.02 H new ATOM 0 HB2 ARG A 9 -2.802 -1.956 -8.253 1.00 14.33 H new ATOM 0 HB3 ARG A 9 -3.699 -0.459 -8.418 1.00 14.33 H new ATOM 0 HG2 ARG A 9 -1.590 0.812 -7.916 1.00 2.52 H new ATOM 0 HG3 ARG A 9 -0.719 -0.708 -7.875 1.00 2.52 H new ATOM 0 HD2 ARG A 9 -0.462 0.254 -10.108 1.00 31.45 H new ATOM 0 HD3 ARG A 9 -1.464 -1.177 -10.242 1.00 31.45 H new ATOM 0 HE ARG A 9 -3.128 0.167 -11.116 1.00 72.10 H new ATOM 0 HH11 ARG A 9 -0.887 2.265 -9.336 1.00 32.25 H new ATOM 0 HH12 ARG A 9 -1.933 3.681 -9.486 1.00 32.25 H new ATOM 0 HH21 ARG A 9 -4.553 1.949 -11.064 1.00 33.05 H new ATOM 0 HH22 ARG A 9 -3.979 3.504 -10.450 1.00 33.05 H new ATOM 149 N ASN A 10 -5.048 -2.446 -6.770 1.00 20.41 N ATOM 150 CA ASN A 10 -5.880 -3.638 -6.715 1.00 75.14 C ATOM 151 C ASN A 10 -6.293 -3.957 -5.280 1.00 21.25 C ATOM 152 O ASN A 10 -6.131 -5.064 -4.766 1.00 61.13 O ATOM 153 CB ASN A 10 -5.234 -4.803 -7.473 1.00 42.53 C ATOM 154 CG ASN A 10 -6.273 -5.900 -7.666 1.00 51.23 C ATOM 155 OD1 ASN A 10 -7.301 -5.666 -8.290 1.00 73.41 O ATOM 156 ND2 ASN A 10 -6.069 -7.080 -7.113 1.00 11.41 N ATOM 0 H ASN A 10 -5.415 -1.744 -7.413 1.00 20.41 H new ATOM 0 HA ASN A 10 -6.815 -3.445 -7.242 1.00 75.14 H new ATOM 0 HB2 ASN A 10 -4.860 -4.464 -8.439 1.00 42.53 H new ATOM 0 HB3 ASN A 10 -4.379 -5.187 -6.917 1.00 42.53 H new ATOM 0 HD21 ASN A 10 -6.772 -7.813 -7.202 1.00 11.41 H new ATOM 0 HD22 ASN A 10 -5.208 -7.259 -6.597 1.00 11.41 H new ATOM 163 N LEU A 11 -6.807 -2.934 -4.601 1.00 40.20 N ATOM 164 CA LEU A 11 -7.466 -3.077 -3.318 1.00 53.52 C ATOM 165 C LEU A 11 -8.916 -3.405 -3.636 1.00 74.41 C ATOM 166 O LEU A 11 -9.576 -2.601 -4.301 1.00 41.12 O ATOM 167 CB LEU A 11 -7.383 -1.764 -2.522 1.00 24.25 C ATOM 168 CG LEU A 11 -5.953 -1.254 -2.269 1.00 13.43 C ATOM 169 CD1 LEU A 11 -6.021 0.128 -1.626 1.00 64.33 C ATOM 170 CD2 LEU A 11 -5.153 -2.160 -1.336 1.00 23.15 C ATOM 0 H LEU A 11 -6.774 -1.971 -4.937 1.00 40.20 H new ATOM 0 HA LEU A 11 -6.998 -3.852 -2.711 1.00 53.52 H new ATOM 0 HB2 LEU A 11 -7.939 -0.995 -3.058 1.00 24.25 H new ATOM 0 HB3 LEU A 11 -7.879 -1.905 -1.562 1.00 24.25 H new ATOM 0 HG LEU A 11 -5.452 -1.233 -3.237 1.00 13.43 H new ATOM 0 HD11 LEU A 11 -5.011 0.495 -1.444 1.00 64.33 H new ATOM 0 HD12 LEU A 11 -6.542 0.815 -2.293 1.00 64.33 H new ATOM 0 HD13 LEU A 11 -6.559 0.063 -0.680 1.00 64.33 H new ATOM 0 HD21 LEU A 11 -4.154 -1.747 -1.197 1.00 23.15 H new ATOM 0 HD22 LEU A 11 -5.657 -2.225 -0.372 1.00 23.15 H new ATOM 0 HD23 LEU A 11 -5.077 -3.156 -1.773 1.00 23.15 H new ATOM 182 N ASN A 12 -9.423 -4.545 -3.158 1.00 43.30 N ATOM 183 CA ASN A 12 -10.858 -4.804 -3.246 1.00 61.34 C ATOM 184 C ASN A 12 -11.612 -3.680 -2.550 1.00 64.34 C ATOM 185 O ASN A 12 -11.097 -3.101 -1.588 1.00 3.11 O ATOM 186 CB ASN A 12 -11.267 -6.149 -2.619 1.00 54.30 C ATOM 187 CG ASN A 12 -11.458 -7.240 -3.663 1.00 4.15 C ATOM 188 OD1 ASN A 12 -11.098 -7.097 -4.829 1.00 44.54 O ATOM 189 ND2 ASN A 12 -11.966 -8.378 -3.252 1.00 73.13 N ATOM 0 H ASN A 12 -8.876 -5.284 -2.717 1.00 43.30 H new ATOM 0 HA ASN A 12 -11.111 -4.852 -4.305 1.00 61.34 H new ATOM 0 HB2 ASN A 12 -10.504 -6.462 -1.906 1.00 54.30 H new ATOM 0 HB3 ASN A 12 -12.193 -6.019 -2.059 1.00 54.30 H new ATOM 0 HD21 ASN A 12 -12.066 -9.157 -3.903 1.00 73.13 H new ATOM 0 HD22 ASN A 12 -12.261 -8.484 -2.281 1.00 73.13 H new ATOM 196 N PRO A 13 -12.848 -3.405 -2.977 1.00 75.40 N ATOM 197 CA PRO A 13 -13.627 -2.326 -2.411 1.00 42.43 C ATOM 198 C PRO A 13 -13.958 -2.603 -0.949 1.00 24.24 C ATOM 199 O PRO A 13 -13.934 -1.672 -0.151 1.00 42.31 O ATOM 200 CB PRO A 13 -14.879 -2.251 -3.275 1.00 33.33 C ATOM 201 CG PRO A 13 -15.033 -3.650 -3.869 1.00 60.14 C ATOM 202 CD PRO A 13 -13.589 -4.102 -4.018 1.00 35.23 C ATOM 0 HA PRO A 13 -13.087 -1.379 -2.411 1.00 42.43 H new ATOM 0 HB2 PRO A 13 -15.752 -1.975 -2.683 1.00 33.33 H new ATOM 0 HB3 PRO A 13 -14.774 -1.499 -4.057 1.00 33.33 H new ATOM 0 HG2 PRO A 13 -15.600 -4.310 -3.212 1.00 60.14 H new ATOM 0 HG3 PRO A 13 -15.553 -3.630 -4.827 1.00 60.14 H new ATOM 0 HD2 PRO A 13 -13.503 -5.183 -3.903 1.00 35.23 H new ATOM 0 HD3 PRO A 13 -13.202 -3.855 -5.006 1.00 35.23 H new ATOM 210 N HIS A 14 -14.227 -3.869 -0.604 1.00 34.12 N ATOM 211 CA HIS A 14 -14.615 -4.264 0.749 1.00 71.44 C ATOM 212 C HIS A 14 -13.396 -4.669 1.606 1.00 22.05 C ATOM 213 O HIS A 14 -13.546 -5.218 2.695 1.00 55.43 O ATOM 214 CB HIS A 14 -15.654 -5.397 0.650 1.00 34.24 C ATOM 215 CG HIS A 14 -17.027 -5.017 0.131 1.00 43.32 C ATOM 216 ND1 HIS A 14 -18.140 -5.823 0.189 1.00 73.02 N ATOM 217 CD2 HIS A 14 -17.411 -3.850 -0.476 1.00 63.33 C ATOM 218 CE1 HIS A 14 -19.160 -5.182 -0.400 1.00 41.12 C ATOM 219 NE2 HIS A 14 -18.762 -3.969 -0.828 1.00 72.12 N ATOM 0 H HIS A 14 -14.180 -4.648 -1.261 1.00 34.12 H new ATOM 0 HA HIS A 14 -15.061 -3.410 1.259 1.00 71.44 H new ATOM 0 HB2 HIS A 14 -15.249 -6.175 0.003 1.00 34.24 H new ATOM 0 HB3 HIS A 14 -15.774 -5.836 1.640 1.00 34.24 H new ATOM 0 HD2 HIS A 14 -16.783 -2.990 -0.652 1.00 63.33 H new ATOM 0 HE1 HIS A 14 -20.157 -5.581 -0.515 1.00 41.12 H new ATOM 0 HE2 HIS A 14 -19.331 -3.275 -1.312 1.00 72.12 H new ATOM 227 N SER A 15 -12.172 -4.358 1.164 1.00 74.31 N ATOM 228 CA SER A 15 -10.989 -4.341 2.014 1.00 52.22 C ATOM 229 C SER A 15 -10.770 -2.917 2.542 1.00 51.21 C ATOM 230 O SER A 15 -11.273 -1.970 1.947 1.00 40.40 O ATOM 231 CB SER A 15 -9.785 -4.733 1.155 1.00 22.43 C ATOM 232 OG SER A 15 -9.883 -6.041 0.611 1.00 41.13 O ATOM 0 H SER A 15 -11.979 -4.109 0.194 1.00 74.31 H new ATOM 0 HA SER A 15 -11.112 -5.030 2.850 1.00 52.22 H new ATOM 0 HB2 SER A 15 -9.680 -4.016 0.341 1.00 22.43 H new ATOM 0 HB3 SER A 15 -8.880 -4.665 1.759 1.00 22.43 H new ATOM 0 HG SER A 15 -9.228 -6.626 1.046 1.00 41.13 H new ATOM 238 N THR A 16 -9.933 -2.727 3.556 1.00 62.21 N ATOM 239 CA THR A 16 -9.052 -1.577 3.732 1.00 42.23 C ATOM 240 C THR A 16 -7.684 -2.125 4.149 1.00 4.25 C ATOM 241 O THR A 16 -7.510 -3.337 4.275 1.00 73.02 O ATOM 242 CB THR A 16 -9.596 -0.588 4.781 1.00 33.45 C ATOM 243 OG1 THR A 16 -10.119 -1.249 5.912 1.00 2.55 O ATOM 244 CG2 THR A 16 -10.647 0.330 4.190 1.00 63.14 C ATOM 0 H THR A 16 -9.846 -3.403 4.315 1.00 62.21 H new ATOM 0 HA THR A 16 -8.981 -1.014 2.802 1.00 42.23 H new ATOM 0 HB THR A 16 -8.747 0.015 5.102 1.00 33.45 H new ATOM 0 HG1 THR A 16 -10.452 -0.587 6.553 1.00 2.55 H new ATOM 0 HG21 THR A 16 -11.007 1.013 4.959 1.00 63.14 H new ATOM 0 HG22 THR A 16 -10.211 0.903 3.371 1.00 63.14 H new ATOM 0 HG23 THR A 16 -11.480 -0.265 3.814 1.00 63.14 H new ATOM 252 N MET A 17 -6.720 -1.239 4.405 1.00 53.22 N ATOM 253 CA MET A 17 -5.457 -1.511 5.056 1.00 45.14 C ATOM 254 C MET A 17 -5.663 -2.264 6.352 1.00 42.42 C ATOM 255 O MET A 17 -4.859 -3.122 6.667 1.00 33.01 O ATOM 256 CB MET A 17 -4.737 -0.181 5.304 1.00 42.40 C ATOM 257 CG MET A 17 -5.464 0.795 6.243 1.00 5.53 C ATOM 258 SD MET A 17 -5.005 2.537 6.006 1.00 25.45 S ATOM 259 CE MET A 17 -4.187 2.824 7.595 1.00 33.22 C ATOM 0 H MET A 17 -6.815 -0.257 4.144 1.00 53.22 H new ATOM 0 HA MET A 17 -4.846 -2.143 4.412 1.00 45.14 H new ATOM 0 HB2 MET A 17 -3.751 -0.392 5.719 1.00 42.40 H new ATOM 0 HB3 MET A 17 -4.580 0.312 4.345 1.00 42.40 H new ATOM 0 HG2 MET A 17 -6.539 0.691 6.096 1.00 5.53 H new ATOM 0 HG3 MET A 17 -5.255 0.513 7.275 1.00 5.53 H new ATOM 0 HE1 MET A 17 -3.769 3.831 7.613 1.00 33.22 H new ATOM 0 HE2 MET A 17 -4.912 2.718 8.402 1.00 33.22 H new ATOM 0 HE3 MET A 17 -3.386 2.096 7.729 1.00 33.22 H new ATOM 269 N ASP A 18 -6.748 -2.002 7.072 1.00 11.24 N ATOM 270 CA ASP A 18 -7.032 -2.702 8.320 1.00 70.22 C ATOM 271 C ASP A 18 -7.143 -4.213 8.108 1.00 61.22 C ATOM 272 O ASP A 18 -6.773 -4.981 8.992 1.00 24.41 O ATOM 273 CB ASP A 18 -8.313 -2.140 8.958 1.00 65.10 C ATOM 274 CG ASP A 18 -8.004 -1.425 10.264 1.00 3.25 C ATOM 275 OD1 ASP A 18 -8.381 -0.237 10.398 1.00 65.31 O ATOM 276 OD2 ASP A 18 -7.318 -1.992 11.143 1.00 31.14 O ATOM 0 H ASP A 18 -7.448 -1.307 6.812 1.00 11.24 H new ATOM 0 HA ASP A 18 -6.197 -2.535 9.000 1.00 70.22 H new ATOM 0 HB2 ASP A 18 -8.795 -1.449 8.266 1.00 65.10 H new ATOM 0 HB3 ASP A 18 -9.018 -2.951 9.141 1.00 65.10 H new ATOM 281 N SER A 19 -7.550 -4.648 6.912 1.00 51.52 N ATOM 282 CA SER A 19 -7.673 -6.058 6.559 1.00 34.24 C ATOM 283 C SER A 19 -6.628 -6.487 5.526 1.00 73.44 C ATOM 284 O SER A 19 -6.844 -7.455 4.784 1.00 44.42 O ATOM 285 CB SER A 19 -9.078 -6.335 6.031 1.00 4.14 C ATOM 286 OG SER A 19 -10.103 -5.699 6.773 1.00 54.43 O ATOM 0 H SER A 19 -7.806 -4.017 6.153 1.00 51.52 H new ATOM 0 HA SER A 19 -7.495 -6.643 7.461 1.00 34.24 H new ATOM 0 HB2 SER A 19 -9.137 -6.008 4.993 1.00 4.14 H new ATOM 0 HB3 SER A 19 -9.253 -7.411 6.036 1.00 4.14 H new ATOM 0 HG SER A 19 -10.974 -5.917 6.381 1.00 54.43 H new ATOM 292 N ILE A 20 -5.502 -5.775 5.450 1.00 43.13 N ATOM 293 CA ILE A 20 -4.363 -6.138 4.614 1.00 5.42 C ATOM 294 C ILE A 20 -3.081 -6.042 5.434 1.00 4.32 C ATOM 295 O ILE A 20 -2.178 -6.854 5.244 1.00 14.35 O ATOM 296 CB ILE A 20 -4.309 -5.278 3.333 1.00 32.03 C ATOM 297 CG1 ILE A 20 -5.634 -5.376 2.553 1.00 75.44 C ATOM 298 CG2 ILE A 20 -3.150 -5.766 2.442 1.00 12.14 C ATOM 299 CD1 ILE A 20 -5.804 -4.292 1.496 1.00 51.53 C ATOM 0 H ILE A 20 -5.357 -4.915 5.979 1.00 43.13 H new ATOM 0 HA ILE A 20 -4.476 -7.170 4.280 1.00 5.42 H new ATOM 0 HB ILE A 20 -4.150 -4.237 3.616 1.00 32.03 H new ATOM 0 HG12 ILE A 20 -5.691 -6.352 2.072 1.00 75.44 H new ATOM 0 HG13 ILE A 20 -6.465 -5.319 3.256 1.00 75.44 H new ATOM 0 HG21 ILE A 20 -3.108 -5.161 1.536 1.00 12.14 H new ATOM 0 HG22 ILE A 20 -2.209 -5.672 2.985 1.00 12.14 H new ATOM 0 HG23 ILE A 20 -3.312 -6.810 2.174 1.00 12.14 H new ATOM 0 HD11 ILE A 20 -6.759 -4.425 0.988 1.00 51.53 H new ATOM 0 HD12 ILE A 20 -5.780 -3.312 1.973 1.00 51.53 H new ATOM 0 HD13 ILE A 20 -4.994 -4.362 0.770 1.00 51.53 H new ATOM 311 N LEU A 21 -2.994 -5.085 6.361 1.00 64.22 N ATOM 312 CA LEU A 21 -1.923 -5.034 7.349 1.00 71.04 C ATOM 313 C LEU A 21 -1.808 -6.381 8.062 1.00 31.25 C ATOM 314 O LEU A 21 -0.712 -6.915 8.153 1.00 21.43 O ATOM 315 CB LEU A 21 -2.168 -3.896 8.360 1.00 73.40 C ATOM 316 CG LEU A 21 -1.963 -2.485 7.772 1.00 11.55 C ATOM 317 CD1 LEU A 21 -2.680 -1.430 8.626 1.00 31.01 C ATOM 318 CD2 LEU A 21 -0.478 -2.121 7.674 1.00 71.24 C ATOM 0 H LEU A 21 -3.668 -4.324 6.445 1.00 64.22 H new ATOM 0 HA LEU A 21 -0.982 -4.829 6.838 1.00 71.04 H new ATOM 0 HB2 LEU A 21 -3.186 -3.976 8.743 1.00 73.40 H new ATOM 0 HB3 LEU A 21 -1.497 -4.026 9.209 1.00 73.40 H new ATOM 0 HG LEU A 21 -2.387 -2.496 6.768 1.00 11.55 H new ATOM 0 HD11 LEU A 21 -2.522 -0.442 8.193 1.00 31.01 H new ATOM 0 HD12 LEU A 21 -3.748 -1.648 8.653 1.00 31.01 H new ATOM 0 HD13 LEU A 21 -2.280 -1.450 9.640 1.00 31.01 H new ATOM 0 HD21 LEU A 21 -0.376 -1.120 7.255 1.00 71.24 H new ATOM 0 HD22 LEU A 21 -0.031 -2.146 8.668 1.00 71.24 H new ATOM 0 HD23 LEU A 21 0.031 -2.838 7.029 1.00 71.24 H new ATOM 330 N GLY A 22 -2.923 -6.968 8.500 1.00 62.20 N ATOM 331 CA GLY A 22 -2.929 -8.174 9.319 1.00 45.53 C ATOM 332 C GLY A 22 -2.635 -9.479 8.569 1.00 24.23 C ATOM 333 O GLY A 22 -2.911 -10.548 9.121 1.00 3.34 O ATOM 0 H GLY A 22 -3.856 -6.613 8.292 1.00 62.20 H new ATOM 0 HA2 GLY A 22 -2.192 -8.057 10.113 1.00 45.53 H new ATOM 0 HA3 GLY A 22 -3.904 -8.262 9.799 1.00 45.53 H new ATOM 337 N ALA A 23 -2.109 -9.439 7.343 1.00 51.23 N ATOM 338 CA ALA A 23 -1.802 -10.621 6.535 1.00 23.15 C ATOM 339 C ALA A 23 -0.629 -10.356 5.591 1.00 50.31 C ATOM 340 O ALA A 23 0.250 -11.200 5.401 1.00 21.12 O ATOM 341 CB ALA A 23 -3.042 -10.983 5.717 1.00 21.35 C ATOM 0 H ALA A 23 -1.879 -8.563 6.873 1.00 51.23 H new ATOM 0 HA ALA A 23 -1.523 -11.441 7.197 1.00 23.15 H new ATOM 0 HB1 ALA A 23 -2.832 -11.862 5.108 1.00 21.35 H new ATOM 0 HB2 ALA A 23 -3.872 -11.197 6.390 1.00 21.35 H new ATOM 0 HB3 ALA A 23 -3.307 -10.148 5.069 1.00 21.35 H new ATOM 347 N LEU A 24 -0.594 -9.166 4.996 1.00 13.32 N ATOM 348 CA LEU A 24 0.443 -8.720 4.079 1.00 13.23 C ATOM 349 C LEU A 24 1.569 -7.984 4.822 1.00 31.33 C ATOM 350 O LEU A 24 2.320 -7.246 4.183 1.00 32.01 O ATOM 351 CB LEU A 24 -0.192 -7.875 2.954 1.00 75.02 C ATOM 352 CG LEU A 24 0.303 -8.266 1.544 1.00 42.34 C ATOM 353 CD1 LEU A 24 -0.403 -7.417 0.481 1.00 20.23 C ATOM 354 CD2 LEU A 24 1.814 -8.148 1.328 1.00 60.24 C ATOM 0 H LEU A 24 -1.316 -8.462 5.147 1.00 13.32 H new ATOM 0 HA LEU A 24 0.915 -9.586 3.615 1.00 13.23 H new ATOM 0 HB2 LEU A 24 -1.276 -7.984 2.994 1.00 75.02 H new ATOM 0 HB3 LEU A 24 0.029 -6.822 3.130 1.00 75.02 H new ATOM 0 HG LEU A 24 0.057 -9.324 1.450 1.00 42.34 H new ATOM 0 HD11 LEU A 24 -0.046 -7.702 -0.509 1.00 20.23 H new ATOM 0 HD12 LEU A 24 -1.479 -7.582 0.540 1.00 20.23 H new ATOM 0 HD13 LEU A 24 -0.187 -6.363 0.655 1.00 20.23 H new ATOM 0 HD21 LEU A 24 2.060 -8.445 0.308 1.00 60.24 H new ATOM 0 HD22 LEU A 24 2.125 -7.116 1.491 1.00 60.24 H new ATOM 0 HD23 LEU A 24 2.334 -8.799 2.031 1.00 60.24 H new ATOM 366 N ALA A 25 1.743 -8.195 6.135 1.00 74.01 N ATOM 367 CA ALA A 25 2.889 -7.695 6.896 1.00 43.45 C ATOM 368 C ALA A 25 3.783 -8.837 7.433 1.00 41.42 C ATOM 369 O ALA A 25 4.156 -8.824 8.602 1.00 32.30 O ATOM 370 CB ALA A 25 2.357 -6.825 8.032 1.00 22.23 C ATOM 0 H ALA A 25 1.081 -8.725 6.702 1.00 74.01 H new ATOM 0 HA ALA A 25 3.527 -7.107 6.237 1.00 43.45 H new ATOM 0 HB1 ALA A 25 3.192 -6.439 8.616 1.00 22.23 H new ATOM 0 HB2 ALA A 25 1.789 -5.993 7.617 1.00 22.23 H new ATOM 0 HB3 ALA A 25 1.710 -7.422 8.675 1.00 22.23 H new ATOM 376 N PRO A 26 4.261 -9.769 6.587 1.00 25.42 N ATOM 377 CA PRO A 26 5.277 -10.745 6.972 1.00 63.14 C ATOM 378 C PRO A 26 6.677 -10.115 7.035 1.00 30.32 C ATOM 379 O PRO A 26 7.594 -10.763 7.544 1.00 2.43 O ATOM 380 CB PRO A 26 5.228 -11.828 5.890 1.00 61.03 C ATOM 381 CG PRO A 26 4.863 -11.006 4.663 1.00 43.45 C ATOM 382 CD PRO A 26 3.894 -9.974 5.201 1.00 71.01 C ATOM 0 HA PRO A 26 5.080 -11.143 7.968 1.00 63.14 H new ATOM 0 HB2 PRO A 26 6.185 -12.337 5.774 1.00 61.03 H new ATOM 0 HB3 PRO A 26 4.484 -12.594 6.108 1.00 61.03 H new ATOM 0 HG2 PRO A 26 5.741 -10.538 4.218 1.00 43.45 H new ATOM 0 HG3 PRO A 26 4.404 -11.622 3.890 1.00 43.45 H new ATOM 0 HD2 PRO A 26 3.962 -9.044 4.637 1.00 71.01 H new ATOM 0 HD3 PRO A 26 2.865 -10.323 5.117 1.00 71.01 H new ATOM 390 N TYR A 27 6.865 -8.912 6.474 1.00 53.23 N ATOM 391 CA TYR A 27 8.140 -8.209 6.384 1.00 62.41 C ATOM 392 C TYR A 27 7.949 -6.832 7.030 1.00 51.33 C ATOM 393 O TYR A 27 8.273 -6.661 8.203 1.00 21.43 O ATOM 394 CB TYR A 27 8.677 -8.167 4.929 1.00 63.04 C ATOM 395 CG TYR A 27 8.206 -9.266 3.989 1.00 0.12 C ATOM 396 CD1 TYR A 27 7.328 -8.959 2.933 1.00 24.03 C ATOM 397 CD2 TYR A 27 8.633 -10.593 4.170 1.00 43.33 C ATOM 398 CE1 TYR A 27 6.858 -9.971 2.074 1.00 24.11 C ATOM 399 CE2 TYR A 27 8.158 -11.615 3.328 1.00 51.52 C ATOM 400 CZ TYR A 27 7.246 -11.312 2.292 1.00 31.12 C ATOM 401 OH TYR A 27 6.678 -12.324 1.579 1.00 51.23 O ATOM 0 H TYR A 27 6.098 -8.386 6.055 1.00 53.23 H new ATOM 0 HA TYR A 27 8.921 -8.740 6.928 1.00 62.41 H new ATOM 0 HB2 TYR A 27 8.401 -7.207 4.493 1.00 63.04 H new ATOM 0 HB3 TYR A 27 9.766 -8.198 4.968 1.00 63.04 H new ATOM 0 HD1 TYR A 27 7.012 -7.938 2.780 1.00 24.03 H new ATOM 0 HD2 TYR A 27 9.330 -10.829 4.960 1.00 43.33 H new ATOM 0 HE1 TYR A 27 6.203 -9.723 1.252 1.00 24.11 H new ATOM 0 HE2 TYR A 27 8.491 -12.632 3.474 1.00 51.52 H new ATOM 0 HH TYR A 27 7.066 -13.179 1.859 1.00 51.23 H new ATOM 411 N ALA A 28 7.352 -5.870 6.312 1.00 34.32 N ATOM 412 CA ALA A 28 7.083 -4.534 6.821 1.00 72.32 C ATOM 413 C ALA A 28 5.792 -4.543 7.627 1.00 51.11 C ATOM 414 O ALA A 28 4.692 -4.590 7.061 1.00 45.23 O ATOM 415 CB ALA A 28 6.966 -3.525 5.681 1.00 62.35 C ATOM 0 H ALA A 28 7.042 -6.008 5.350 1.00 34.32 H new ATOM 0 HA ALA A 28 7.916 -4.238 7.459 1.00 72.32 H new ATOM 0 HB1 ALA A 28 6.765 -2.535 6.090 1.00 62.35 H new ATOM 0 HB2 ALA A 28 7.899 -3.502 5.118 1.00 62.35 H new ATOM 0 HB3 ALA A 28 6.150 -3.817 5.019 1.00 62.35 H new ATOM 421 N VAL A 29 5.928 -4.467 8.942 1.00 34.04 N ATOM 422 CA VAL A 29 4.815 -4.243 9.848 1.00 13.42 C ATOM 423 C VAL A 29 4.651 -2.724 9.945 1.00 53.44 C ATOM 424 O VAL A 29 5.269 -2.069 10.785 1.00 74.42 O ATOM 425 CB VAL A 29 5.063 -4.941 11.203 1.00 14.23 C ATOM 426 CG1 VAL A 29 3.843 -4.815 12.128 1.00 41.12 C ATOM 427 CG2 VAL A 29 5.371 -6.437 11.024 1.00 70.34 C ATOM 0 H VAL A 29 6.827 -4.561 9.415 1.00 34.04 H new ATOM 0 HA VAL A 29 3.884 -4.681 9.488 1.00 13.42 H new ATOM 0 HB VAL A 29 5.923 -4.441 11.649 1.00 14.23 H new ATOM 0 HG11 VAL A 29 4.050 -5.317 13.073 1.00 41.12 H new ATOM 0 HG12 VAL A 29 3.635 -3.761 12.314 1.00 41.12 H new ATOM 0 HG13 VAL A 29 2.977 -5.277 11.654 1.00 41.12 H new ATOM 0 HG21 VAL A 29 5.540 -6.893 12.000 1.00 70.34 H new ATOM 0 HG22 VAL A 29 4.528 -6.926 10.536 1.00 70.34 H new ATOM 0 HG23 VAL A 29 6.264 -6.554 10.410 1.00 70.34 H new ATOM 437 N LEU A 30 3.888 -2.146 9.015 1.00 30.03 N ATOM 438 CA LEU A 30 3.667 -0.702 8.950 1.00 72.24 C ATOM 439 C LEU A 30 2.874 -0.243 10.172 1.00 33.01 C ATOM 440 O LEU A 30 2.049 -0.999 10.695 1.00 62.14 O ATOM 441 CB LEU A 30 2.893 -0.347 7.672 1.00 5.54 C ATOM 442 CG LEU A 30 3.646 -0.666 6.369 1.00 30.12 C ATOM 443 CD1 LEU A 30 2.686 -0.519 5.188 1.00 2.30 C ATOM 444 CD2 LEU A 30 4.852 0.258 6.176 1.00 11.52 C ATOM 0 H LEU A 30 3.405 -2.669 8.284 1.00 30.03 H new ATOM 0 HA LEU A 30 4.633 -0.197 8.936 1.00 72.24 H new ATOM 0 HB2 LEU A 30 1.946 -0.887 7.673 1.00 5.54 H new ATOM 0 HB3 LEU A 30 2.654 0.716 7.689 1.00 5.54 H new ATOM 0 HG LEU A 30 4.018 -1.689 6.427 1.00 30.12 H new ATOM 0 HD11 LEU A 30 3.213 -0.744 4.261 1.00 2.30 H new ATOM 0 HD12 LEU A 30 1.852 -1.211 5.308 1.00 2.30 H new ATOM 0 HD13 LEU A 30 2.307 0.502 5.152 1.00 2.30 H new ATOM 0 HD21 LEU A 30 5.360 0.004 5.246 1.00 11.52 H new ATOM 0 HD22 LEU A 30 4.514 1.293 6.134 1.00 11.52 H new ATOM 0 HD23 LEU A 30 5.542 0.135 7.011 1.00 11.52 H new ATOM 456 N SER A 31 3.023 1.023 10.561 1.00 52.43 N ATOM 457 CA SER A 31 2.450 1.603 11.777 1.00 24.13 C ATOM 458 C SER A 31 0.965 1.960 11.602 1.00 71.25 C ATOM 459 O SER A 31 0.456 2.821 12.313 1.00 31.31 O ATOM 460 CB SER A 31 3.267 2.872 12.114 1.00 11.44 C ATOM 461 OG SER A 31 3.658 2.917 13.475 1.00 51.43 O ATOM 0 H SER A 31 3.565 1.697 10.020 1.00 52.43 H new ATOM 0 HA SER A 31 2.501 0.873 12.585 1.00 24.13 H new ATOM 0 HB2 SER A 31 4.155 2.908 11.482 1.00 11.44 H new ATOM 0 HB3 SER A 31 2.673 3.756 11.880 1.00 11.44 H new ATOM 0 HG SER A 31 4.173 3.734 13.641 1.00 51.43 H new ATOM 467 N SER A 32 0.261 1.322 10.661 1.00 43.53 N ATOM 468 CA SER A 32 -1.022 1.727 10.097 1.00 53.23 C ATOM 469 C SER A 32 -0.995 3.152 9.516 1.00 61.21 C ATOM 470 O SER A 32 -1.196 3.301 8.316 1.00 51.43 O ATOM 471 CB SER A 32 -2.146 1.488 11.111 1.00 73.22 C ATOM 472 OG SER A 32 -3.405 1.464 10.464 1.00 25.21 O ATOM 0 H SER A 32 0.598 0.452 10.249 1.00 43.53 H new ATOM 0 HA SER A 32 -1.232 1.094 9.235 1.00 53.23 H new ATOM 0 HB2 SER A 32 -1.980 0.544 11.630 1.00 73.22 H new ATOM 0 HB3 SER A 32 -2.134 2.274 11.867 1.00 73.22 H new ATOM 0 HG SER A 32 -4.110 1.309 11.126 1.00 25.21 H new ATOM 478 N SER A 33 -0.711 4.190 10.304 1.00 25.43 N ATOM 479 CA SER A 33 -0.675 5.600 9.930 1.00 4.45 C ATOM 480 C SER A 33 0.236 5.902 8.730 1.00 44.42 C ATOM 481 O SER A 33 -0.010 6.869 8.008 1.00 53.21 O ATOM 482 CB SER A 33 -0.273 6.392 11.176 1.00 42.34 C ATOM 483 OG SER A 33 -0.411 7.779 10.986 1.00 41.43 O ATOM 0 H SER A 33 -0.484 4.055 11.289 1.00 25.43 H new ATOM 0 HA SER A 33 -1.664 5.900 9.585 1.00 4.45 H new ATOM 0 HB2 SER A 33 -0.889 6.079 12.019 1.00 42.34 H new ATOM 0 HB3 SER A 33 0.761 6.162 11.434 1.00 42.34 H new ATOM 0 HG SER A 33 -0.146 8.249 11.804 1.00 41.43 H new ATOM 489 N ASN A 34 1.250 5.070 8.449 1.00 53.11 N ATOM 490 CA ASN A 34 2.031 5.143 7.215 1.00 4.51 C ATOM 491 C ASN A 34 1.125 5.134 5.985 1.00 62.45 C ATOM 492 O ASN A 34 1.502 5.679 4.955 1.00 50.32 O ATOM 493 CB ASN A 34 2.967 3.928 7.100 1.00 72.35 C ATOM 494 CG ASN A 34 4.096 3.922 8.105 1.00 65.44 C ATOM 495 OD1 ASN A 34 4.034 3.163 9.058 1.00 23.40 O ATOM 496 ND2 ASN A 34 5.121 4.727 7.905 1.00 25.21 N ATOM 0 H ASN A 34 1.549 4.325 9.078 1.00 53.11 H new ATOM 0 HA ASN A 34 2.600 6.072 7.255 1.00 4.51 H new ATOM 0 HB2 ASN A 34 2.380 3.018 7.223 1.00 72.35 H new ATOM 0 HB3 ASN A 34 3.389 3.902 6.095 1.00 72.35 H new ATOM 0 HD21 ASN A 34 5.902 4.730 8.561 1.00 25.21 H new ATOM 0 HD22 ASN A 34 5.133 5.346 7.095 1.00 25.21 H new ATOM 503 N VAL A 35 -0.026 4.465 6.057 1.00 34.32 N ATOM 504 CA VAL A 35 -0.835 4.077 4.917 1.00 43.40 C ATOM 505 C VAL A 35 -2.021 5.030 4.764 1.00 62.44 C ATOM 506 O VAL A 35 -2.646 5.444 5.743 1.00 53.13 O ATOM 507 CB VAL A 35 -1.285 2.611 5.079 1.00 74.24 C ATOM 508 CG1 VAL A 35 -1.942 2.081 3.797 1.00 50.13 C ATOM 509 CG2 VAL A 35 -0.114 1.678 5.424 1.00 22.02 C ATOM 0 H VAL A 35 -0.429 4.171 6.947 1.00 34.32 H new ATOM 0 HA VAL A 35 -0.246 4.146 4.003 1.00 43.40 H new ATOM 0 HB VAL A 35 -2.003 2.613 5.899 1.00 74.24 H new ATOM 0 HG11 VAL A 35 -2.247 1.045 3.946 1.00 50.13 H new ATOM 0 HG12 VAL A 35 -2.817 2.686 3.559 1.00 50.13 H new ATOM 0 HG13 VAL A 35 -1.229 2.134 2.974 1.00 50.13 H new ATOM 0 HG21 VAL A 35 -0.481 0.657 5.528 1.00 22.02 H new ATOM 0 HG22 VAL A 35 0.629 1.717 4.628 1.00 22.02 H new ATOM 0 HG23 VAL A 35 0.341 1.997 6.361 1.00 22.02 H new ATOM 519 N ARG A 36 -2.385 5.322 3.514 1.00 13.13 N ATOM 520 CA ARG A 36 -3.489 6.192 3.119 1.00 41.42 C ATOM 521 C ARG A 36 -4.360 5.445 2.114 1.00 43.14 C ATOM 522 O ARG A 36 -4.040 5.441 0.925 1.00 73.23 O ATOM 523 CB ARG A 36 -2.903 7.510 2.566 1.00 10.13 C ATOM 524 CG ARG A 36 -2.776 8.598 3.643 1.00 41.11 C ATOM 525 CD ARG A 36 -3.975 9.563 3.679 1.00 33.13 C ATOM 526 NE ARG A 36 -4.623 9.625 5.004 1.00 30.32 N ATOM 527 CZ ARG A 36 -4.199 10.297 6.086 1.00 73.31 C ATOM 528 NH1 ARG A 36 -2.999 10.871 6.098 1.00 50.12 N ATOM 529 NH2 ARG A 36 -4.979 10.393 7.159 1.00 45.54 N ATOM 0 H ARG A 36 -1.890 4.937 2.710 1.00 13.13 H new ATOM 0 HA ARG A 36 -4.127 6.455 3.963 1.00 41.42 H new ATOM 0 HB2 ARG A 36 -1.921 7.314 2.135 1.00 10.13 H new ATOM 0 HB3 ARG A 36 -3.538 7.875 1.759 1.00 10.13 H new ATOM 0 HG2 ARG A 36 -2.671 8.123 4.619 1.00 41.11 H new ATOM 0 HG3 ARG A 36 -1.864 9.169 3.467 1.00 41.11 H new ATOM 0 HD2 ARG A 36 -3.640 10.561 3.397 1.00 33.13 H new ATOM 0 HD3 ARG A 36 -4.709 9.251 2.936 1.00 33.13 H new ATOM 0 HE ARG A 36 -5.490 9.098 5.109 1.00 30.32 H new ATOM 0 HH11 ARG A 36 -2.393 10.803 5.281 1.00 50.12 H new ATOM 0 HH12 ARG A 36 -2.685 11.380 6.925 1.00 50.12 H new ATOM 0 HH21 ARG A 36 -5.901 9.956 7.160 1.00 45.54 H new ATOM 0 HH22 ARG A 36 -4.656 10.904 7.980 1.00 45.54 H new ATOM 543 N VAL A 37 -5.420 4.785 2.589 1.00 50.50 N ATOM 544 CA VAL A 37 -6.536 4.302 1.774 1.00 4.13 C ATOM 545 C VAL A 37 -7.600 5.395 1.861 1.00 50.20 C ATOM 546 O VAL A 37 -8.204 5.557 2.923 1.00 65.00 O ATOM 547 CB VAL A 37 -7.077 2.943 2.294 1.00 63.34 C ATOM 548 CG1 VAL A 37 -8.176 2.367 1.382 1.00 1.12 C ATOM 549 CG2 VAL A 37 -5.992 1.859 2.383 1.00 15.12 C ATOM 0 H VAL A 37 -5.528 4.566 3.579 1.00 50.50 H new ATOM 0 HA VAL A 37 -6.229 4.118 0.744 1.00 4.13 H new ATOM 0 HB VAL A 37 -7.466 3.176 3.285 1.00 63.34 H new ATOM 0 HG11 VAL A 37 -8.523 1.416 1.787 1.00 1.12 H new ATOM 0 HG12 VAL A 37 -9.011 3.066 1.332 1.00 1.12 H new ATOM 0 HG13 VAL A 37 -7.773 2.210 0.381 1.00 1.12 H new ATOM 0 HG21 VAL A 37 -6.432 0.933 2.753 1.00 15.12 H new ATOM 0 HG22 VAL A 37 -5.566 1.689 1.394 1.00 15.12 H new ATOM 0 HG23 VAL A 37 -5.207 2.185 3.065 1.00 15.12 H new ATOM 559 N ILE A 38 -7.793 6.171 0.794 1.00 75.04 N ATOM 560 CA ILE A 38 -8.881 7.143 0.691 1.00 73.24 C ATOM 561 C ILE A 38 -10.173 6.357 0.390 1.00 12.21 C ATOM 562 O ILE A 38 -10.111 5.293 -0.240 1.00 60.13 O ATOM 563 CB ILE A 38 -8.578 8.183 -0.422 1.00 52.20 C ATOM 564 CG1 ILE A 38 -7.128 8.737 -0.428 1.00 32.02 C ATOM 565 CG2 ILE A 38 -9.547 9.370 -0.272 1.00 60.11 C ATOM 566 CD1 ILE A 38 -6.766 9.441 -1.746 1.00 20.31 C ATOM 0 H ILE A 38 -7.193 6.142 -0.030 1.00 75.04 H new ATOM 0 HA ILE A 38 -8.993 7.701 1.621 1.00 73.24 H new ATOM 0 HB ILE A 38 -8.706 7.650 -1.364 1.00 52.20 H new ATOM 0 HG12 ILE A 38 -7.008 9.438 0.398 1.00 32.02 H new ATOM 0 HG13 ILE A 38 -6.430 7.918 -0.255 1.00 32.02 H new ATOM 0 HG21 ILE A 38 -9.343 10.107 -1.049 1.00 60.11 H new ATOM 0 HG22 ILE A 38 -10.573 9.016 -0.368 1.00 60.11 H new ATOM 0 HG23 ILE A 38 -9.412 9.829 0.707 1.00 60.11 H new ATOM 0 HD11 ILE A 38 -5.741 9.808 -1.693 1.00 20.31 H new ATOM 0 HD12 ILE A 38 -6.857 8.736 -2.572 1.00 20.31 H new ATOM 0 HD13 ILE A 38 -7.443 10.279 -1.909 1.00 20.31 H new ATOM 578 N LYS A 39 -11.339 6.879 0.797 1.00 74.12 N ATOM 579 CA LYS A 39 -12.638 6.256 0.554 1.00 51.23 C ATOM 580 C LYS A 39 -13.619 7.242 -0.060 1.00 35.32 C ATOM 581 O LYS A 39 -13.650 8.416 0.330 1.00 21.34 O ATOM 582 CB LYS A 39 -13.233 5.690 1.850 1.00 30.21 C ATOM 583 CG LYS A 39 -12.393 4.587 2.511 1.00 65.32 C ATOM 584 CD LYS A 39 -11.455 5.163 3.576 1.00 23.11 C ATOM 585 CE LYS A 39 -10.702 4.045 4.299 1.00 61.11 C ATOM 586 NZ LYS A 39 -10.139 4.518 5.577 1.00 11.44 N ATOM 0 H LYS A 39 -11.402 7.758 1.311 1.00 74.12 H new ATOM 0 HA LYS A 39 -12.471 5.439 -0.148 1.00 51.23 H new ATOM 0 HB2 LYS A 39 -13.362 6.506 2.561 1.00 30.21 H new ATOM 0 HB3 LYS A 39 -14.225 5.294 1.636 1.00 30.21 H new ATOM 0 HG2 LYS A 39 -13.053 3.848 2.966 1.00 65.32 H new ATOM 0 HG3 LYS A 39 -11.809 4.068 1.751 1.00 65.32 H new ATOM 0 HD2 LYS A 39 -10.743 5.845 3.110 1.00 23.11 H new ATOM 0 HD3 LYS A 39 -12.029 5.746 4.296 1.00 23.11 H new ATOM 0 HE2 LYS A 39 -11.377 3.209 4.484 1.00 61.11 H new ATOM 0 HE3 LYS A 39 -9.900 3.672 3.662 1.00 61.11 H new ATOM 0 HZ1 LYS A 39 -9.634 3.738 6.044 1.00 11.44 H new ATOM 0 HZ2 LYS A 39 -9.477 5.300 5.397 1.00 11.44 H new ATOM 0 HZ3 LYS A 39 -10.908 4.851 6.193 1.00 11.44 H new ATOM 600 N ASP A 40 -14.470 6.749 -0.963 1.00 40.43 N ATOM 601 CA ASP A 40 -15.525 7.556 -1.560 1.00 74.41 C ATOM 602 C ASP A 40 -16.500 8.062 -0.489 1.00 61.11 C ATOM 603 O ASP A 40 -16.754 7.369 0.502 1.00 62.14 O ATOM 604 CB ASP A 40 -16.329 6.719 -2.556 1.00 55.24 C ATOM 605 CG ASP A 40 -17.353 7.607 -3.266 1.00 4.13 C ATOM 606 OD1 ASP A 40 -18.530 7.204 -3.317 1.00 44.32 O ATOM 607 OD2 ASP A 40 -17.022 8.742 -3.677 1.00 64.42 O ATOM 0 H ASP A 40 -14.444 5.785 -1.296 1.00 40.43 H new ATOM 0 HA ASP A 40 -15.048 8.399 -2.059 1.00 74.41 H new ATOM 0 HB2 ASP A 40 -15.660 6.263 -3.286 1.00 55.24 H new ATOM 0 HB3 ASP A 40 -16.836 5.906 -2.037 1.00 55.24 H new ATOM 612 N LYS A 41 -17.131 9.221 -0.703 1.00 22.05 N ATOM 613 CA LYS A 41 -18.143 9.757 0.217 1.00 41.32 C ATOM 614 C LYS A 41 -19.576 9.421 -0.182 1.00 35.03 C ATOM 615 O LYS A 41 -20.506 9.989 0.395 1.00 31.14 O ATOM 616 CB LYS A 41 -17.957 11.281 0.343 1.00 31.11 C ATOM 617 CG LYS A 41 -16.788 11.587 1.285 1.00 25.35 C ATOM 618 CD LYS A 41 -16.873 13.020 1.827 1.00 72.41 C ATOM 619 CE LYS A 41 -15.746 13.376 2.808 1.00 70.44 C ATOM 620 NZ LYS A 41 -15.764 12.550 4.033 1.00 41.54 N ATOM 0 H LYS A 41 -16.957 9.813 -1.515 1.00 22.05 H new ATOM 0 HA LYS A 41 -17.987 9.274 1.181 1.00 41.32 H new ATOM 0 HB2 LYS A 41 -17.768 11.716 -0.639 1.00 31.11 H new ATOM 0 HB3 LYS A 41 -18.871 11.738 0.723 1.00 31.11 H new ATOM 0 HG2 LYS A 41 -16.792 10.881 2.115 1.00 25.35 H new ATOM 0 HG3 LYS A 41 -15.845 11.451 0.755 1.00 25.35 H new ATOM 0 HD2 LYS A 41 -16.848 13.718 0.990 1.00 72.41 H new ATOM 0 HD3 LYS A 41 -17.833 13.154 2.326 1.00 72.41 H new ATOM 0 HE2 LYS A 41 -14.785 13.254 2.308 1.00 70.44 H new ATOM 0 HE3 LYS A 41 -15.831 14.427 3.084 1.00 70.44 H new ATOM 0 HZ1 LYS A 41 -15.024 12.880 4.685 1.00 41.54 H new ATOM 0 HZ2 LYS A 41 -16.693 12.632 4.493 1.00 41.54 H new ATOM 0 HZ3 LYS A 41 -15.587 11.556 3.784 1.00 41.54 H new ATOM 634 N GLN A 42 -19.792 8.487 -1.100 1.00 60.22 N ATOM 635 CA GLN A 42 -21.123 8.139 -1.583 1.00 1.35 C ATOM 636 C GLN A 42 -21.353 6.648 -1.382 1.00 3.51 C ATOM 637 O GLN A 42 -22.345 6.288 -0.751 1.00 11.54 O ATOM 638 CB GLN A 42 -21.367 8.641 -3.005 1.00 53.40 C ATOM 639 CG GLN A 42 -20.904 10.097 -3.175 1.00 73.23 C ATOM 640 CD GLN A 42 -21.202 10.699 -4.540 1.00 22.13 C ATOM 641 OE1 GLN A 42 -22.311 10.638 -5.060 1.00 73.40 O ATOM 642 NE2 GLN A 42 -20.234 11.407 -5.092 1.00 62.20 N ATOM 0 H GLN A 42 -19.044 7.946 -1.533 1.00 60.22 H new ATOM 0 HA GLN A 42 -21.880 8.658 -0.995 1.00 1.35 H new ATOM 0 HB2 GLN A 42 -20.836 8.004 -3.713 1.00 53.40 H new ATOM 0 HB3 GLN A 42 -22.428 8.565 -3.242 1.00 53.40 H new ATOM 0 HG2 GLN A 42 -21.382 10.709 -2.410 1.00 73.23 H new ATOM 0 HG3 GLN A 42 -19.830 10.146 -2.997 1.00 73.23 H new ATOM 0 HE21 GLN A 42 -19.316 11.449 -4.649 1.00 62.20 H new ATOM 0 HE22 GLN A 42 -20.404 11.912 -5.962 1.00 62.20 H new ATOM 651 N THR A 43 -20.431 5.790 -1.823 1.00 51.40 N ATOM 652 CA THR A 43 -20.547 4.341 -1.642 1.00 55.53 C ATOM 653 C THR A 43 -19.845 3.895 -0.350 1.00 31.11 C ATOM 654 O THR A 43 -19.996 2.746 0.065 1.00 44.43 O ATOM 655 CB THR A 43 -20.011 3.592 -2.877 1.00 55.24 C ATOM 656 OG1 THR A 43 -20.267 2.215 -2.795 1.00 31.34 O ATOM 657 CG2 THR A 43 -18.564 3.891 -3.276 1.00 41.21 C ATOM 0 H THR A 43 -19.585 6.079 -2.314 1.00 51.40 H new ATOM 0 HA THR A 43 -21.602 4.087 -1.541 1.00 55.53 H new ATOM 0 HB THR A 43 -20.585 4.007 -3.706 1.00 55.24 H new ATOM 0 HG1 THR A 43 -20.373 1.957 -1.855 1.00 31.34 H new ATOM 0 HG21 THR A 43 -18.301 3.306 -4.157 1.00 41.21 H new ATOM 0 HG22 THR A 43 -18.461 4.952 -3.501 1.00 41.21 H new ATOM 0 HG23 THR A 43 -17.898 3.628 -2.454 1.00 41.21 H new ATOM 665 N GLN A 44 -19.014 4.761 0.251 1.00 12.23 N ATOM 666 CA GLN A 44 -18.109 4.438 1.352 1.00 60.34 C ATOM 667 C GLN A 44 -16.914 3.581 0.950 1.00 54.12 C ATOM 668 O GLN A 44 -16.046 3.403 1.807 1.00 74.41 O ATOM 669 CB GLN A 44 -18.811 3.883 2.609 1.00 45.30 C ATOM 670 CG GLN A 44 -19.899 4.798 3.177 1.00 3.21 C ATOM 671 CD GLN A 44 -19.446 6.245 3.364 1.00 72.32 C ATOM 672 OE1 GLN A 44 -18.300 6.527 3.719 1.00 63.24 O ATOM 673 NE2 GLN A 44 -20.330 7.180 3.070 1.00 12.21 N ATOM 0 H GLN A 44 -18.956 5.740 -0.031 1.00 12.23 H new ATOM 0 HA GLN A 44 -17.706 5.411 1.633 1.00 60.34 H new ATOM 0 HB2 GLN A 44 -19.254 2.917 2.367 1.00 45.30 H new ATOM 0 HB3 GLN A 44 -18.062 3.705 3.381 1.00 45.30 H new ATOM 0 HG2 GLN A 44 -20.762 4.779 2.511 1.00 3.21 H new ATOM 0 HG3 GLN A 44 -20.229 4.403 4.138 1.00 3.21 H new ATOM 0 HE21 GLN A 44 -21.272 6.918 2.779 1.00 12.21 H new ATOM 0 HE22 GLN A 44 -20.071 8.165 3.134 1.00 12.21 H new ATOM 682 N LEU A 45 -16.892 2.981 -0.249 1.00 40.40 N ATOM 683 CA LEU A 45 -15.791 2.104 -0.666 1.00 23.32 C ATOM 684 C LEU A 45 -14.483 2.879 -0.731 1.00 24.43 C ATOM 685 O LEU A 45 -14.490 4.096 -0.655 1.00 15.22 O ATOM 686 CB LEU A 45 -16.030 1.520 -2.062 1.00 74.21 C ATOM 687 CG LEU A 45 -17.404 0.885 -2.260 1.00 32.01 C ATOM 688 CD1 LEU A 45 -17.494 0.434 -3.713 1.00 3.12 C ATOM 689 CD2 LEU A 45 -17.649 -0.248 -1.264 1.00 52.30 C ATOM 0 H LEU A 45 -17.627 3.088 -0.948 1.00 40.40 H new ATOM 0 HA LEU A 45 -15.740 1.304 0.073 1.00 23.32 H new ATOM 0 HB2 LEU A 45 -15.901 2.312 -2.800 1.00 74.21 H new ATOM 0 HB3 LEU A 45 -15.265 0.770 -2.263 1.00 74.21 H new ATOM 0 HG LEU A 45 -18.195 1.607 -2.060 1.00 32.01 H new ATOM 0 HD11 LEU A 45 -18.466 -0.026 -3.892 1.00 3.12 H new ATOM 0 HD12 LEU A 45 -17.374 1.296 -4.370 1.00 3.12 H new ATOM 0 HD13 LEU A 45 -16.706 -0.291 -3.918 1.00 3.12 H new ATOM 0 HD21 LEU A 45 -18.637 -0.676 -1.435 1.00 52.30 H new ATOM 0 HD22 LEU A 45 -16.891 -1.020 -1.397 1.00 52.30 H new ATOM 0 HD23 LEU A 45 -17.594 0.143 -0.248 1.00 52.30 H new ATOM 701 N ASN A 46 -13.375 2.194 -0.985 1.00 12.11 N ATOM 702 CA ASN A 46 -12.070 2.781 -1.271 1.00 3.35 C ATOM 703 C ASN A 46 -12.092 3.461 -2.639 1.00 53.21 C ATOM 704 O ASN A 46 -13.137 3.670 -3.258 1.00 52.53 O ATOM 705 CB ASN A 46 -10.916 1.756 -1.216 1.00 75.13 C ATOM 706 CG ASN A 46 -11.026 0.800 -0.059 1.00 40.51 C ATOM 707 OD1 ASN A 46 -11.266 1.210 1.070 1.00 42.12 O ATOM 708 ND2 ASN A 46 -10.881 -0.480 -0.315 1.00 51.21 N ATOM 0 H ASN A 46 -13.359 1.174 -0.998 1.00 12.11 H new ATOM 0 HA ASN A 46 -11.879 3.514 -0.487 1.00 3.35 H new ATOM 0 HB2 ASN A 46 -10.898 1.189 -2.147 1.00 75.13 H new ATOM 0 HB3 ASN A 46 -9.968 2.289 -1.149 1.00 75.13 H new ATOM 0 HD21 ASN A 46 -10.968 -1.164 0.437 1.00 51.21 H new ATOM 0 HD22 ASN A 46 -10.682 -0.791 -1.266 1.00 51.21 H new ATOM 715 N ARG A 47 -10.897 3.769 -3.135 1.00 62.41 N ATOM 716 CA ARG A 47 -10.621 4.212 -4.507 1.00 34.05 C ATOM 717 C ARG A 47 -9.908 3.135 -5.337 1.00 24.45 C ATOM 718 O ARG A 47 -9.734 3.303 -6.540 1.00 34.11 O ATOM 719 CB ARG A 47 -9.889 5.561 -4.500 1.00 34.11 C ATOM 720 CG ARG A 47 -10.758 6.725 -3.982 1.00 1.54 C ATOM 721 CD ARG A 47 -11.016 7.797 -5.052 1.00 60.13 C ATOM 722 NE ARG A 47 -11.797 7.284 -6.192 1.00 60.04 N ATOM 723 CZ ARG A 47 -12.057 7.953 -7.323 1.00 40.13 C ATOM 724 NH1 ARG A 47 -11.640 9.204 -7.501 1.00 35.04 N ATOM 725 NH2 ARG A 47 -12.757 7.347 -8.273 1.00 62.33 N ATOM 0 H ARG A 47 -10.051 3.715 -2.567 1.00 62.41 H new ATOM 0 HA ARG A 47 -11.574 4.369 -5.011 1.00 34.05 H new ATOM 0 HB2 ARG A 47 -8.997 5.479 -3.879 1.00 34.11 H new ATOM 0 HB3 ARG A 47 -9.554 5.790 -5.512 1.00 34.11 H new ATOM 0 HG2 ARG A 47 -11.712 6.332 -3.631 1.00 1.54 H new ATOM 0 HG3 ARG A 47 -10.267 7.185 -3.124 1.00 1.54 H new ATOM 0 HD2 ARG A 47 -11.547 8.635 -4.601 1.00 60.13 H new ATOM 0 HD3 ARG A 47 -10.062 8.181 -5.413 1.00 60.13 H new ATOM 0 HE ARG A 47 -12.172 6.339 -6.113 1.00 60.04 H new ATOM 0 HH11 ARG A 47 -11.110 9.674 -6.767 1.00 35.04 H new ATOM 0 HH12 ARG A 47 -11.850 9.693 -8.371 1.00 35.04 H new ATOM 0 HH21 ARG A 47 -13.085 6.391 -8.134 1.00 62.33 H new ATOM 0 HH22 ARG A 47 -12.967 7.837 -9.143 1.00 62.33 H new ATOM 739 N GLY A 48 -9.400 2.081 -4.693 1.00 40.52 N ATOM 740 CA GLY A 48 -8.769 0.949 -5.361 1.00 64.21 C ATOM 741 C GLY A 48 -7.260 1.114 -5.541 1.00 20.01 C ATOM 742 O GLY A 48 -6.624 0.359 -6.275 1.00 75.03 O ATOM 0 H GLY A 48 -9.418 1.993 -3.677 1.00 40.52 H new ATOM 0 HA2 GLY A 48 -8.962 0.044 -4.786 1.00 64.21 H new ATOM 0 HA3 GLY A 48 -9.231 0.810 -6.338 1.00 64.21 H new ATOM 746 N PHE A 49 -6.668 2.075 -4.843 1.00 23.14 N ATOM 747 CA PHE A 49 -5.237 2.269 -4.699 1.00 23.32 C ATOM 748 C PHE A 49 -5.012 2.858 -3.311 1.00 4.51 C ATOM 749 O PHE A 49 -5.969 3.290 -2.656 1.00 35.22 O ATOM 750 CB PHE A 49 -4.702 3.196 -5.804 1.00 1.33 C ATOM 751 CG PHE A 49 -5.396 4.539 -5.852 1.00 13.41 C ATOM 752 CD1 PHE A 49 -4.934 5.615 -5.068 1.00 24.15 C ATOM 753 CD2 PHE A 49 -6.545 4.692 -6.646 1.00 74.12 C ATOM 754 CE1 PHE A 49 -5.639 6.831 -5.063 1.00 3.25 C ATOM 755 CE2 PHE A 49 -7.241 5.907 -6.639 1.00 0.45 C ATOM 756 CZ PHE A 49 -6.798 6.976 -5.842 1.00 31.01 C ATOM 0 H PHE A 49 -7.206 2.777 -4.335 1.00 23.14 H new ATOM 0 HA PHE A 49 -4.697 1.328 -4.801 1.00 23.32 H new ATOM 0 HB2 PHE A 49 -3.634 3.353 -5.651 1.00 1.33 H new ATOM 0 HB3 PHE A 49 -4.816 2.702 -6.769 1.00 1.33 H new ATOM 0 HD1 PHE A 49 -4.040 5.506 -4.472 1.00 24.15 H new ATOM 0 HD2 PHE A 49 -6.891 3.874 -7.261 1.00 74.12 H new ATOM 0 HE1 PHE A 49 -5.289 7.655 -4.459 1.00 3.25 H new ATOM 0 HE2 PHE A 49 -8.124 6.023 -7.250 1.00 0.45 H new ATOM 0 HZ PHE A 49 -7.347 7.906 -5.829 1.00 31.01 H new ATOM 766 N ALA A 50 -3.767 2.888 -2.851 1.00 3.52 N ATOM 767 CA ALA A 50 -3.379 3.519 -1.598 1.00 23.43 C ATOM 768 C ALA A 50 -1.957 4.042 -1.717 1.00 20.13 C ATOM 769 O ALA A 50 -1.300 3.852 -2.740 1.00 3.14 O ATOM 770 CB ALA A 50 -3.507 2.521 -0.439 1.00 41.44 C ATOM 0 H ALA A 50 -2.984 2.465 -3.350 1.00 3.52 H new ATOM 0 HA ALA A 50 -4.043 4.358 -1.389 1.00 23.43 H new ATOM 0 HB1 ALA A 50 -3.214 3.005 0.492 1.00 41.44 H new ATOM 0 HB2 ALA A 50 -4.540 2.183 -0.362 1.00 41.44 H new ATOM 0 HB3 ALA A 50 -2.858 1.665 -0.623 1.00 41.44 H new ATOM 776 N PHE A 51 -1.488 4.676 -0.651 1.00 3.12 N ATOM 777 CA PHE A 51 -0.172 5.256 -0.519 1.00 43.20 C ATOM 778 C PHE A 51 0.419 4.758 0.790 1.00 74.12 C ATOM 779 O PHE A 51 -0.326 4.414 1.711 1.00 20.14 O ATOM 780 CB PHE A 51 -0.318 6.781 -0.481 1.00 73.01 C ATOM 781 CG PHE A 51 -1.018 7.364 -1.687 1.00 13.43 C ATOM 782 CD1 PHE A 51 -2.368 7.749 -1.591 1.00 12.15 C ATOM 783 CD2 PHE A 51 -0.344 7.460 -2.916 1.00 55.53 C ATOM 784 CE1 PHE A 51 -3.042 8.233 -2.720 1.00 42.43 C ATOM 785 CE2 PHE A 51 -1.024 7.923 -4.055 1.00 74.22 C ATOM 786 CZ PHE A 51 -2.375 8.306 -3.958 1.00 15.21 C ATOM 0 H PHE A 51 -2.053 4.803 0.189 1.00 3.12 H new ATOM 0 HA PHE A 51 0.475 4.978 -1.351 1.00 43.20 H new ATOM 0 HB2 PHE A 51 -0.870 7.060 0.416 1.00 73.01 H new ATOM 0 HB3 PHE A 51 0.673 7.228 -0.398 1.00 73.01 H new ATOM 0 HD1 PHE A 51 -2.885 7.671 -0.646 1.00 12.15 H new ATOM 0 HD2 PHE A 51 0.696 7.178 -2.985 1.00 55.53 H new ATOM 0 HE1 PHE A 51 -4.072 8.550 -2.641 1.00 42.43 H new ATOM 0 HE2 PHE A 51 -0.511 7.985 -5.003 1.00 74.22 H new ATOM 0 HZ PHE A 51 -2.901 8.656 -4.834 1.00 15.21 H new ATOM 796 N ILE A 52 1.739 4.801 0.882 1.00 64.15 N ATOM 797 CA ILE A 52 2.545 4.578 2.070 1.00 30.33 C ATOM 798 C ILE A 52 3.532 5.746 2.117 1.00 51.31 C ATOM 799 O ILE A 52 4.186 6.041 1.109 1.00 4.31 O ATOM 800 CB ILE A 52 3.281 3.224 1.994 1.00 62.21 C ATOM 801 CG1 ILE A 52 2.326 2.033 1.739 1.00 75.33 C ATOM 802 CG2 ILE A 52 4.135 2.962 3.245 1.00 62.42 C ATOM 803 CD1 ILE A 52 3.029 0.677 1.583 1.00 63.33 C ATOM 0 H ILE A 52 2.317 5.008 0.067 1.00 64.15 H new ATOM 0 HA ILE A 52 1.934 4.536 2.971 1.00 30.33 H new ATOM 0 HB ILE A 52 3.945 3.301 1.133 1.00 62.21 H new ATOM 0 HG12 ILE A 52 1.618 1.968 2.565 1.00 75.33 H new ATOM 0 HG13 ILE A 52 1.747 2.234 0.838 1.00 75.33 H new ATOM 0 HG21 ILE A 52 4.635 1.998 3.149 1.00 62.42 H new ATOM 0 HG22 ILE A 52 4.881 3.750 3.347 1.00 62.42 H new ATOM 0 HG23 ILE A 52 3.495 2.952 4.127 1.00 62.42 H new ATOM 0 HD11 ILE A 52 2.285 -0.100 1.408 1.00 63.33 H new ATOM 0 HD12 ILE A 52 3.717 0.719 0.738 1.00 63.33 H new ATOM 0 HD13 ILE A 52 3.585 0.449 2.492 1.00 63.33 H new ATOM 815 N GLN A 53 3.640 6.412 3.264 1.00 52.33 N ATOM 816 CA GLN A 53 4.621 7.449 3.542 1.00 70.21 C ATOM 817 C GLN A 53 5.597 6.858 4.562 1.00 41.12 C ATOM 818 O GLN A 53 5.172 6.386 5.618 1.00 21.43 O ATOM 819 CB GLN A 53 3.913 8.701 4.093 1.00 12.22 C ATOM 820 CG GLN A 53 3.515 9.770 3.067 1.00 12.53 C ATOM 821 CD GLN A 53 2.363 9.368 2.161 1.00 10.13 C ATOM 822 OE1 GLN A 53 2.648 8.610 1.123 1.00 71.02 O flip ATOM 823 NE2 GLN A 53 1.209 9.748 2.345 1.00 1.51 N flip ATOM 0 H GLN A 53 3.020 6.234 4.054 1.00 52.33 H new ATOM 0 HA GLN A 53 5.156 7.758 2.644 1.00 70.21 H new ATOM 0 HB2 GLN A 53 3.013 8.381 4.618 1.00 12.22 H new ATOM 0 HB3 GLN A 53 4.566 9.164 4.833 1.00 12.22 H new ATOM 0 HG2 GLN A 53 3.244 10.683 3.597 1.00 12.53 H new ATOM 0 HG3 GLN A 53 4.382 10.006 2.450 1.00 12.53 H new ATOM 0 HE21 GLN A 53 0.988 10.335 3.149 1.00 1.51 H new ATOM 0 HE22 GLN A 53 0.473 9.476 1.694 1.00 1.51 H new ATOM 832 N LEU A 54 6.895 6.869 4.252 1.00 12.34 N ATOM 833 CA LEU A 54 7.986 6.371 5.093 1.00 65.22 C ATOM 834 C LEU A 54 9.080 7.440 5.158 1.00 54.35 C ATOM 835 O LEU A 54 8.945 8.520 4.566 1.00 22.40 O ATOM 836 CB LEU A 54 8.517 5.033 4.521 1.00 51.55 C ATOM 837 CG LEU A 54 7.982 3.793 5.261 1.00 63.05 C ATOM 838 CD1 LEU A 54 7.639 2.656 4.296 1.00 51.42 C ATOM 839 CD2 LEU A 54 9.043 3.286 6.238 1.00 74.03 C ATOM 0 H LEU A 54 7.230 7.244 3.365 1.00 12.34 H new ATOM 0 HA LEU A 54 7.635 6.175 6.106 1.00 65.22 H new ATOM 0 HB2 LEU A 54 8.244 4.964 3.468 1.00 51.55 H new ATOM 0 HB3 LEU A 54 9.606 5.033 4.569 1.00 51.55 H new ATOM 0 HG LEU A 54 7.074 4.092 5.785 1.00 63.05 H new ATOM 0 HD11 LEU A 54 7.265 1.801 4.859 1.00 51.42 H new ATOM 0 HD12 LEU A 54 6.874 2.991 3.596 1.00 51.42 H new ATOM 0 HD13 LEU A 54 8.533 2.365 3.745 1.00 51.42 H new ATOM 0 HD21 LEU A 54 8.665 2.408 6.762 1.00 74.03 H new ATOM 0 HD22 LEU A 54 9.946 3.020 5.689 1.00 74.03 H new ATOM 0 HD23 LEU A 54 9.275 4.068 6.961 1.00 74.03 H new ATOM 851 N SER A 55 10.164 7.161 5.882 1.00 1.42 N ATOM 852 CA SER A 55 11.417 7.881 5.699 1.00 61.34 C ATOM 853 C SER A 55 11.846 7.757 4.232 1.00 44.34 C ATOM 854 O SER A 55 11.602 6.721 3.610 1.00 51.42 O ATOM 855 CB SER A 55 12.496 7.266 6.600 1.00 30.12 C ATOM 856 OG SER A 55 13.003 8.185 7.541 1.00 5.32 O ATOM 0 H SER A 55 10.196 6.439 6.602 1.00 1.42 H new ATOM 0 HA SER A 55 11.285 8.931 5.961 1.00 61.34 H new ATOM 0 HB2 SER A 55 12.079 6.406 7.125 1.00 30.12 H new ATOM 0 HB3 SER A 55 13.314 6.896 5.981 1.00 30.12 H new ATOM 0 HG SER A 55 13.685 7.747 8.092 1.00 5.32 H new ATOM 862 N THR A 56 12.568 8.766 3.739 1.00 21.34 N ATOM 863 CA THR A 56 13.211 8.811 2.433 1.00 53.21 C ATOM 864 C THR A 56 13.930 7.492 2.151 1.00 34.40 C ATOM 865 O THR A 56 13.559 6.753 1.242 1.00 53.34 O ATOM 866 CB THR A 56 14.136 10.045 2.382 1.00 61.32 C ATOM 867 OG1 THR A 56 13.422 11.248 2.663 1.00 72.12 O ATOM 868 CG2 THR A 56 14.914 10.205 1.079 1.00 2.31 C ATOM 0 H THR A 56 12.726 9.620 4.275 1.00 21.34 H new ATOM 0 HA THR A 56 12.475 8.921 1.637 1.00 53.21 H new ATOM 0 HB THR A 56 14.874 9.860 3.162 1.00 61.32 H new ATOM 0 HG1 THR A 56 14.037 12.010 2.624 1.00 72.12 H new ATOM 0 HG21 THR A 56 15.537 11.098 1.134 1.00 2.31 H new ATOM 0 HG22 THR A 56 15.546 9.331 0.923 1.00 2.31 H new ATOM 0 HG23 THR A 56 14.216 10.301 0.248 1.00 2.31 H new ATOM 876 N ILE A 57 14.933 7.181 2.970 1.00 74.01 N ATOM 877 CA ILE A 57 15.786 6.025 2.762 1.00 11.42 C ATOM 878 C ILE A 57 14.946 4.755 2.921 1.00 2.13 C ATOM 879 O ILE A 57 15.025 3.852 2.093 1.00 65.25 O ATOM 880 CB ILE A 57 16.992 6.094 3.728 1.00 52.42 C ATOM 881 CG1 ILE A 57 17.735 7.442 3.546 1.00 34.14 C ATOM 882 CG2 ILE A 57 17.942 4.907 3.503 1.00 31.20 C ATOM 883 CD1 ILE A 57 18.965 7.589 4.437 1.00 5.54 C ATOM 0 H ILE A 57 15.173 7.728 3.797 1.00 74.01 H new ATOM 0 HA ILE A 57 16.199 6.012 1.753 1.00 11.42 H new ATOM 0 HB ILE A 57 16.625 6.033 4.753 1.00 52.42 H new ATOM 0 HG12 ILE A 57 18.038 7.542 2.504 1.00 34.14 H new ATOM 0 HG13 ILE A 57 17.045 8.259 3.757 1.00 34.14 H new ATOM 0 HG21 ILE A 57 18.782 4.977 4.194 1.00 31.20 H new ATOM 0 HG22 ILE A 57 17.406 3.974 3.677 1.00 31.20 H new ATOM 0 HG23 ILE A 57 18.312 4.927 2.478 1.00 31.20 H new ATOM 0 HD11 ILE A 57 19.433 8.556 4.255 1.00 5.54 H new ATOM 0 HD12 ILE A 57 18.667 7.522 5.483 1.00 5.54 H new ATOM 0 HD13 ILE A 57 19.675 6.794 4.211 1.00 5.54 H new ATOM 895 N GLU A 58 14.155 4.662 3.988 1.00 71.42 N ATOM 896 CA GLU A 58 13.544 3.401 4.394 1.00 52.54 C ATOM 897 C GLU A 58 12.566 2.887 3.347 1.00 54.45 C ATOM 898 O GLU A 58 12.561 1.694 3.041 1.00 34.33 O ATOM 899 CB GLU A 58 12.783 3.567 5.711 1.00 23.04 C ATOM 900 CG GLU A 58 13.655 4.144 6.826 1.00 4.24 C ATOM 901 CD GLU A 58 14.841 3.274 7.229 1.00 44.54 C ATOM 902 OE1 GLU A 58 14.628 2.124 7.676 1.00 11.13 O ATOM 903 OE2 GLU A 58 15.978 3.786 7.186 1.00 62.11 O ATOM 0 H GLU A 58 13.922 5.452 4.590 1.00 71.42 H new ATOM 0 HA GLU A 58 14.357 2.685 4.513 1.00 52.54 H new ATOM 0 HB2 GLU A 58 11.925 4.220 5.551 1.00 23.04 H new ATOM 0 HB3 GLU A 58 12.392 2.599 6.025 1.00 23.04 H new ATOM 0 HG2 GLU A 58 14.029 5.117 6.508 1.00 4.24 H new ATOM 0 HG3 GLU A 58 13.032 4.313 7.704 1.00 4.24 H new ATOM 910 N ALA A 59 11.761 3.805 2.798 1.00 21.11 N ATOM 911 CA ALA A 59 10.790 3.520 1.756 1.00 13.54 C ATOM 912 C ALA A 59 11.448 2.725 0.624 1.00 11.12 C ATOM 913 O ALA A 59 10.956 1.663 0.241 1.00 33.41 O ATOM 914 CB ALA A 59 10.232 4.841 1.210 1.00 71.22 C ATOM 0 H ALA A 59 11.774 4.786 3.078 1.00 21.11 H new ATOM 0 HA ALA A 59 9.978 2.925 2.173 1.00 13.54 H new ATOM 0 HB1 ALA A 59 9.503 4.632 0.427 1.00 71.22 H new ATOM 0 HB2 ALA A 59 9.750 5.394 2.017 1.00 71.22 H new ATOM 0 HB3 ALA A 59 11.046 5.437 0.797 1.00 71.22 H new ATOM 920 N ALA A 60 12.560 3.256 0.102 1.00 13.22 N ATOM 921 CA ALA A 60 13.301 2.665 -0.997 1.00 3.14 C ATOM 922 C ALA A 60 13.837 1.287 -0.611 1.00 61.14 C ATOM 923 O ALA A 60 13.738 0.353 -1.409 1.00 72.41 O ATOM 924 CB ALA A 60 14.447 3.600 -1.404 1.00 15.30 C ATOM 0 H ALA A 60 12.970 4.125 0.444 1.00 13.22 H new ATOM 0 HA ALA A 60 12.631 2.534 -1.847 1.00 3.14 H new ATOM 0 HB1 ALA A 60 15.003 3.156 -2.229 1.00 15.30 H new ATOM 0 HB2 ALA A 60 14.039 4.561 -1.717 1.00 15.30 H new ATOM 0 HB3 ALA A 60 15.114 3.749 -0.555 1.00 15.30 H new ATOM 930 N GLN A 61 14.432 1.137 0.579 1.00 24.13 N ATOM 931 CA GLN A 61 15.007 -0.132 1.000 1.00 63.13 C ATOM 932 C GLN A 61 13.948 -1.220 1.016 1.00 41.13 C ATOM 933 O GLN A 61 14.092 -2.212 0.304 1.00 73.02 O ATOM 934 CB GLN A 61 15.702 -0.019 2.356 1.00 40.41 C ATOM 935 CG GLN A 61 16.794 1.057 2.440 1.00 62.41 C ATOM 936 CD GLN A 61 17.381 1.553 1.113 1.00 61.11 C ATOM 937 OE1 GLN A 61 17.888 0.812 0.271 1.00 20.43 O ATOM 938 NE2 GLN A 61 17.265 2.840 0.872 1.00 40.44 N ATOM 0 H GLN A 61 14.524 1.886 1.265 1.00 24.13 H new ATOM 0 HA GLN A 61 15.770 -0.406 0.272 1.00 63.13 H new ATOM 0 HB2 GLN A 61 14.949 0.189 3.116 1.00 40.41 H new ATOM 0 HB3 GLN A 61 16.145 -0.984 2.601 1.00 40.41 H new ATOM 0 HG2 GLN A 61 16.384 1.916 2.972 1.00 62.41 H new ATOM 0 HG3 GLN A 61 17.610 0.666 3.047 1.00 62.41 H new ATOM 0 HE21 GLN A 61 16.845 3.454 1.570 1.00 40.44 H new ATOM 0 HE22 GLN A 61 17.595 3.225 -0.013 1.00 40.44 H new ATOM 947 N LEU A 62 12.882 -1.023 1.794 1.00 23.21 N ATOM 948 CA LEU A 62 11.857 -2.039 1.981 1.00 1.42 C ATOM 949 C LEU A 62 11.235 -2.408 0.646 1.00 51.23 C ATOM 950 O LEU A 62 11.090 -3.590 0.347 1.00 34.11 O ATOM 951 CB LEU A 62 10.793 -1.539 2.972 1.00 44.35 C ATOM 952 CG LEU A 62 10.198 -2.622 3.870 1.00 21.11 C ATOM 953 CD1 LEU A 62 9.749 -3.895 3.148 1.00 11.52 C ATOM 954 CD2 LEU A 62 11.121 -2.976 5.042 1.00 51.41 C ATOM 0 H LEU A 62 12.710 -0.159 2.307 1.00 23.21 H new ATOM 0 HA LEU A 62 12.314 -2.936 2.399 1.00 1.42 H new ATOM 0 HB2 LEU A 62 11.236 -0.767 3.601 1.00 44.35 H new ATOM 0 HB3 LEU A 62 9.986 -1.068 2.411 1.00 44.35 H new ATOM 0 HG LEU A 62 9.288 -2.161 4.255 1.00 21.11 H new ATOM 0 HD11 LEU A 62 9.342 -4.600 3.873 1.00 11.52 H new ATOM 0 HD12 LEU A 62 8.983 -3.646 2.414 1.00 11.52 H new ATOM 0 HD13 LEU A 62 10.602 -4.347 2.642 1.00 11.52 H new ATOM 0 HD21 LEU A 62 10.655 -3.750 5.651 1.00 51.41 H new ATOM 0 HD22 LEU A 62 12.073 -3.341 4.658 1.00 51.41 H new ATOM 0 HD23 LEU A 62 11.292 -2.089 5.651 1.00 51.41 H new ATOM 966 N LEU A 63 10.908 -1.409 -0.178 1.00 32.13 N ATOM 967 CA LEU A 63 10.297 -1.648 -1.474 1.00 15.30 C ATOM 968 C LEU A 63 11.108 -2.658 -2.294 1.00 14.24 C ATOM 969 O LEU A 63 10.533 -3.594 -2.851 1.00 42.51 O ATOM 970 CB LEU A 63 10.139 -0.314 -2.219 1.00 42.45 C ATOM 971 CG LEU A 63 9.646 -0.485 -3.674 1.00 74.04 C ATOM 972 CD1 LEU A 63 8.385 0.342 -3.913 1.00 61.22 C ATOM 973 CD2 LEU A 63 10.743 -0.084 -4.668 1.00 33.00 C ATOM 0 H LEU A 63 11.060 -0.424 0.038 1.00 32.13 H new ATOM 0 HA LEU A 63 9.309 -2.084 -1.325 1.00 15.30 H new ATOM 0 HB2 LEU A 63 9.436 0.317 -1.676 1.00 42.45 H new ATOM 0 HB3 LEU A 63 11.096 0.207 -2.225 1.00 42.45 H new ATOM 0 HG LEU A 63 9.406 -1.537 -3.831 1.00 74.04 H new ATOM 0 HD11 LEU A 63 8.052 0.209 -4.943 1.00 61.22 H new ATOM 0 HD12 LEU A 63 7.600 0.013 -3.233 1.00 61.22 H new ATOM 0 HD13 LEU A 63 8.601 1.395 -3.735 1.00 61.22 H new ATOM 0 HD21 LEU A 63 10.376 -0.212 -5.686 1.00 33.00 H new ATOM 0 HD22 LEU A 63 11.015 0.959 -4.508 1.00 33.00 H new ATOM 0 HD23 LEU A 63 11.619 -0.714 -4.517 1.00 33.00 H new ATOM 985 N GLN A 64 12.432 -2.496 -2.349 1.00 32.23 N ATOM 986 CA GLN A 64 13.283 -3.360 -3.157 1.00 75.31 C ATOM 987 C GLN A 64 13.229 -4.823 -2.697 1.00 71.01 C ATOM 988 O GLN A 64 13.409 -5.715 -3.524 1.00 33.40 O ATOM 989 CB GLN A 64 14.739 -2.889 -3.075 1.00 44.34 C ATOM 990 CG GLN A 64 15.046 -1.594 -3.797 1.00 54.42 C ATOM 991 CD GLN A 64 16.383 -1.026 -3.332 1.00 74.15 C ATOM 992 OE1 GLN A 64 17.417 -1.179 -3.974 1.00 62.35 O ATOM 993 NE2 GLN A 64 16.396 -0.397 -2.171 1.00 31.22 N ATOM 0 H GLN A 64 12.936 -1.770 -1.840 1.00 32.23 H new ATOM 0 HA GLN A 64 12.910 -3.300 -4.180 1.00 75.31 H new ATOM 0 HB2 GLN A 64 15.006 -2.771 -2.025 1.00 44.34 H new ATOM 0 HB3 GLN A 64 15.379 -3.672 -3.481 1.00 44.34 H new ATOM 0 HG2 GLN A 64 15.073 -1.768 -4.873 1.00 54.42 H new ATOM 0 HG3 GLN A 64 14.252 -0.870 -3.611 1.00 54.42 H new ATOM 0 HE21 GLN A 64 15.529 -0.276 -1.647 1.00 31.22 H new ATOM 0 HE22 GLN A 64 17.273 -0.032 -1.799 1.00 31.22 H new ATOM 1002 N ILE A 65 13.025 -5.076 -1.400 1.00 35.31 N ATOM 1003 CA ILE A 65 12.929 -6.414 -0.809 1.00 43.22 C ATOM 1004 C ILE A 65 11.770 -7.154 -1.478 1.00 3.51 C ATOM 1005 O ILE A 65 11.992 -8.174 -2.139 1.00 64.31 O ATOM 1006 CB ILE A 65 12.846 -6.334 0.742 1.00 22.14 C ATOM 1007 CG1 ILE A 65 14.058 -5.564 1.318 1.00 54.32 C ATOM 1008 CG2 ILE A 65 12.692 -7.707 1.408 1.00 51.34 C ATOM 1009 CD1 ILE A 65 13.996 -5.318 2.829 1.00 73.34 C ATOM 0 H ILE A 65 12.919 -4.331 -0.711 1.00 35.31 H new ATOM 0 HA ILE A 65 13.831 -6.995 -0.998 1.00 43.22 H new ATOM 0 HB ILE A 65 11.937 -5.780 0.977 1.00 22.14 H new ATOM 0 HG12 ILE A 65 14.967 -6.121 1.091 1.00 54.32 H new ATOM 0 HG13 ILE A 65 14.137 -4.603 0.809 1.00 54.32 H new ATOM 0 HG21 ILE A 65 12.640 -7.583 2.490 1.00 51.34 H new ATOM 0 HG22 ILE A 65 11.778 -8.183 1.053 1.00 51.34 H new ATOM 0 HG23 ILE A 65 13.549 -8.332 1.155 1.00 51.34 H new ATOM 0 HD11 ILE A 65 14.885 -4.773 3.146 1.00 73.34 H new ATOM 0 HD12 ILE A 65 13.108 -4.733 3.066 1.00 73.34 H new ATOM 0 HD13 ILE A 65 13.951 -6.273 3.352 1.00 73.34 H new ATOM 1021 N LEU A 66 10.558 -6.593 -1.375 1.00 12.40 N ATOM 1022 CA LEU A 66 9.360 -7.082 -2.062 1.00 33.44 C ATOM 1023 C LEU A 66 9.644 -7.318 -3.540 1.00 43.45 C ATOM 1024 O LEU A 66 9.256 -8.341 -4.096 1.00 13.10 O ATOM 1025 CB LEU A 66 8.181 -6.096 -1.941 1.00 22.43 C ATOM 1026 CG LEU A 66 7.505 -5.965 -0.567 1.00 64.12 C ATOM 1027 CD1 LEU A 66 7.075 -7.306 0.014 1.00 34.13 C ATOM 1028 CD2 LEU A 66 8.350 -5.256 0.477 1.00 34.34 C ATOM 0 H LEU A 66 10.382 -5.770 -0.799 1.00 12.40 H new ATOM 0 HA LEU A 66 9.086 -8.019 -1.578 1.00 33.44 H new ATOM 0 HB2 LEU A 66 8.536 -5.109 -2.237 1.00 22.43 H new ATOM 0 HB3 LEU A 66 7.420 -6.391 -2.664 1.00 22.43 H new ATOM 0 HG LEU A 66 6.629 -5.353 -0.781 1.00 64.12 H new ATOM 0 HD11 LEU A 66 6.604 -7.148 0.984 1.00 34.13 H new ATOM 0 HD12 LEU A 66 6.364 -7.784 -0.660 1.00 34.13 H new ATOM 0 HD13 LEU A 66 7.948 -7.947 0.134 1.00 34.13 H new ATOM 0 HD21 LEU A 66 7.800 -5.205 1.417 1.00 34.34 H new ATOM 0 HD22 LEU A 66 9.278 -5.807 0.629 1.00 34.34 H new ATOM 0 HD23 LEU A 66 8.579 -4.246 0.136 1.00 34.34 H new ATOM 1040 N GLN A 67 10.355 -6.389 -4.175 1.00 2.42 N ATOM 1041 CA GLN A 67 10.677 -6.407 -5.597 1.00 72.13 C ATOM 1042 C GLN A 67 11.827 -7.359 -5.962 1.00 64.14 C ATOM 1043 O GLN A 67 12.407 -7.227 -7.042 1.00 40.51 O ATOM 1044 CB GLN A 67 10.925 -4.968 -6.068 1.00 75.32 C ATOM 1045 CG GLN A 67 9.611 -4.170 -6.039 1.00 72.11 C ATOM 1046 CD GLN A 67 9.680 -2.847 -6.790 1.00 0.10 C ATOM 1047 OE1 GLN A 67 10.682 -2.480 -7.393 1.00 44.54 O ATOM 1048 NE2 GLN A 67 8.592 -2.105 -6.757 1.00 20.20 N ATOM 0 H GLN A 67 10.736 -5.574 -3.694 1.00 2.42 H new ATOM 0 HA GLN A 67 9.821 -6.818 -6.132 1.00 72.13 H new ATOM 0 HB2 GLN A 67 11.665 -4.489 -5.426 1.00 75.32 H new ATOM 0 HB3 GLN A 67 11.335 -4.973 -7.078 1.00 75.32 H new ATOM 0 HG2 GLN A 67 8.816 -4.780 -6.469 1.00 72.11 H new ATOM 0 HG3 GLN A 67 9.338 -3.975 -5.002 1.00 72.11 H new ATOM 0 HE21 GLN A 67 7.769 -2.429 -6.249 1.00 20.20 H new ATOM 0 HE22 GLN A 67 8.573 -1.206 -7.239 1.00 20.20 H new ATOM 1057 N ALA A 68 12.164 -8.316 -5.097 1.00 23.34 N ATOM 1058 CA ALA A 68 13.054 -9.427 -5.413 1.00 62.14 C ATOM 1059 C ALA A 68 12.479 -10.778 -4.985 1.00 31.24 C ATOM 1060 O ALA A 68 12.743 -11.771 -5.669 1.00 63.35 O ATOM 1061 CB ALA A 68 14.418 -9.192 -4.766 1.00 23.11 C ATOM 0 H ALA A 68 11.817 -8.338 -4.138 1.00 23.34 H new ATOM 0 HA ALA A 68 13.164 -9.465 -6.497 1.00 62.14 H new ATOM 0 HB1 ALA A 68 15.081 -10.024 -5.003 1.00 23.11 H new ATOM 0 HB2 ALA A 68 14.847 -8.265 -5.147 1.00 23.11 H new ATOM 0 HB3 ALA A 68 14.300 -9.119 -3.685 1.00 23.11 H new ATOM 1067 N LEU A 69 11.738 -10.830 -3.871 1.00 75.02 N ATOM 1068 CA LEU A 69 11.085 -12.044 -3.370 1.00 54.54 C ATOM 1069 C LEU A 69 9.828 -12.388 -4.188 1.00 34.04 C ATOM 1070 O LEU A 69 9.630 -11.871 -5.287 1.00 43.13 O ATOM 1071 CB LEU A 69 10.844 -11.945 -1.846 1.00 20.04 C ATOM 1072 CG LEU A 69 9.887 -10.826 -1.377 1.00 44.52 C ATOM 1073 CD1 LEU A 69 8.508 -11.320 -0.956 1.00 32.22 C ATOM 1074 CD2 LEU A 69 10.436 -10.130 -0.132 1.00 44.55 C ATOM 0 H LEU A 69 11.573 -10.014 -3.282 1.00 75.02 H new ATOM 0 HA LEU A 69 11.755 -12.892 -3.513 1.00 54.54 H new ATOM 0 HB2 LEU A 69 10.450 -12.900 -1.499 1.00 20.04 H new ATOM 0 HB3 LEU A 69 11.807 -11.800 -1.356 1.00 20.04 H new ATOM 0 HG LEU A 69 9.806 -10.172 -2.245 1.00 44.52 H new ATOM 0 HD11 LEU A 69 7.899 -10.473 -0.641 1.00 32.22 H new ATOM 0 HD12 LEU A 69 8.028 -11.819 -1.797 1.00 32.22 H new ATOM 0 HD13 LEU A 69 8.610 -12.021 -0.128 1.00 32.22 H new ATOM 0 HD21 LEU A 69 9.746 -9.346 0.181 1.00 44.55 H new ATOM 0 HD22 LEU A 69 10.547 -10.857 0.672 1.00 44.55 H new ATOM 0 HD23 LEU A 69 11.407 -9.690 -0.360 1.00 44.55 H new ATOM 1086 N HIS A 70 8.999 -13.301 -3.675 1.00 54.34 N ATOM 1087 CA HIS A 70 7.697 -13.655 -4.240 1.00 74.02 C ATOM 1088 C HIS A 70 6.779 -12.431 -4.445 1.00 41.35 C ATOM 1089 O HIS A 70 7.003 -11.365 -3.865 1.00 34.02 O ATOM 1090 CB HIS A 70 7.012 -14.691 -3.321 1.00 42.45 C ATOM 1091 CG HIS A 70 7.193 -16.113 -3.787 1.00 20.01 C ATOM 1092 ND1 HIS A 70 6.211 -16.949 -4.271 1.00 52.13 N ATOM 1093 CD2 HIS A 70 8.379 -16.785 -3.868 1.00 13.31 C ATOM 1094 CE1 HIS A 70 6.798 -18.096 -4.645 1.00 1.11 C ATOM 1095 NE2 HIS A 70 8.122 -18.054 -4.404 1.00 52.45 N ATOM 0 H HIS A 70 9.223 -13.828 -2.831 1.00 54.34 H new ATOM 0 HA HIS A 70 7.869 -14.080 -5.229 1.00 74.02 H new ATOM 0 HB2 HIS A 70 7.413 -14.593 -2.312 1.00 42.45 H new ATOM 0 HB3 HIS A 70 5.947 -14.467 -3.264 1.00 42.45 H new ATOM 0 HD2 HIS A 70 9.345 -16.405 -3.571 1.00 13.31 H new ATOM 0 HE1 HIS A 70 6.280 -18.938 -5.080 1.00 1.11 H new ATOM 0 HE2 HIS A 70 8.801 -18.796 -4.577 1.00 52.45 H new ATOM 1103 N PRO A 71 5.697 -12.580 -5.225 1.00 55.14 N ATOM 1104 CA PRO A 71 4.665 -11.559 -5.343 1.00 41.31 C ATOM 1105 C PRO A 71 3.906 -11.343 -4.019 1.00 53.23 C ATOM 1106 O PRO A 71 3.993 -12.161 -3.094 1.00 21.03 O ATOM 1107 CB PRO A 71 3.735 -12.053 -6.455 1.00 55.25 C ATOM 1108 CG PRO A 71 3.929 -13.568 -6.447 1.00 41.53 C ATOM 1109 CD PRO A 71 5.394 -13.720 -6.075 1.00 41.13 C ATOM 0 HA PRO A 71 5.096 -10.586 -5.579 1.00 41.31 H new ATOM 0 HB2 PRO A 71 2.698 -11.782 -6.259 1.00 55.25 H new ATOM 0 HB3 PRO A 71 4.001 -11.621 -7.420 1.00 55.25 H new ATOM 0 HG2 PRO A 71 3.276 -14.055 -5.723 1.00 41.53 H new ATOM 0 HG3 PRO A 71 3.711 -14.008 -7.420 1.00 41.53 H new ATOM 0 HD2 PRO A 71 5.571 -14.659 -5.551 1.00 41.13 H new ATOM 0 HD3 PRO A 71 6.026 -13.727 -6.963 1.00 41.13 H new ATOM 1117 N PRO A 72 3.113 -10.262 -3.924 1.00 14.33 N ATOM 1118 CA PRO A 72 2.341 -9.956 -2.729 1.00 74.22 C ATOM 1119 C PRO A 72 1.244 -10.996 -2.461 1.00 21.45 C ATOM 1120 O PRO A 72 0.587 -11.516 -3.370 1.00 32.02 O ATOM 1121 CB PRO A 72 1.763 -8.554 -2.954 1.00 35.21 C ATOM 1122 CG PRO A 72 1.856 -8.326 -4.456 1.00 41.44 C ATOM 1123 CD PRO A 72 3.048 -9.166 -4.880 1.00 13.21 C ATOM 0 HA PRO A 72 2.970 -9.986 -1.839 1.00 74.22 H new ATOM 0 HB2 PRO A 72 0.731 -8.492 -2.609 1.00 35.21 H new ATOM 0 HB3 PRO A 72 2.328 -7.801 -2.405 1.00 35.21 H new ATOM 0 HG2 PRO A 72 0.945 -8.640 -4.965 1.00 41.44 H new ATOM 0 HG3 PRO A 72 2.006 -7.272 -4.692 1.00 41.44 H new ATOM 0 HD2 PRO A 72 2.923 -9.539 -5.897 1.00 13.21 H new ATOM 0 HD3 PRO A 72 3.966 -8.579 -4.867 1.00 13.21 H new ATOM 1131 N LEU A 73 0.974 -11.222 -1.175 1.00 64.01 N ATOM 1132 CA LEU A 73 0.003 -12.153 -0.626 1.00 32.02 C ATOM 1133 C LEU A 73 -1.396 -11.545 -0.747 1.00 0.11 C ATOM 1134 O LEU A 73 -1.604 -10.390 -0.371 1.00 61.43 O ATOM 1135 CB LEU A 73 0.389 -12.416 0.846 1.00 62.02 C ATOM 1136 CG LEU A 73 0.119 -13.839 1.355 1.00 44.52 C ATOM 1137 CD1 LEU A 73 -1.357 -14.211 1.314 1.00 22.23 C ATOM 1138 CD2 LEU A 73 0.974 -14.875 0.625 1.00 63.40 C ATOM 0 H LEU A 73 1.469 -10.718 -0.439 1.00 64.01 H new ATOM 0 HA LEU A 73 -0.001 -13.099 -1.167 1.00 32.02 H new ATOM 0 HB2 LEU A 73 1.450 -12.200 0.969 1.00 62.02 H new ATOM 0 HB3 LEU A 73 -0.155 -11.713 1.477 1.00 62.02 H new ATOM 0 HG LEU A 73 0.413 -13.845 2.405 1.00 44.52 H new ATOM 0 HD11 LEU A 73 -1.486 -15.228 1.685 1.00 22.23 H new ATOM 0 HD12 LEU A 73 -1.924 -13.521 1.939 1.00 22.23 H new ATOM 0 HD13 LEU A 73 -1.719 -14.151 0.288 1.00 22.23 H new ATOM 0 HD21 LEU A 73 0.753 -15.869 1.014 1.00 63.40 H new ATOM 0 HD22 LEU A 73 0.750 -14.845 -0.441 1.00 63.40 H new ATOM 0 HD23 LEU A 73 2.029 -14.651 0.781 1.00 63.40 H new ATOM 1150 N THR A 74 -2.329 -12.257 -1.366 1.00 33.13 N ATOM 1151 CA THR A 74 -3.733 -11.844 -1.510 1.00 13.41 C ATOM 1152 C THR A 74 -4.518 -12.247 -0.246 1.00 63.34 C ATOM 1153 O THR A 74 -4.120 -13.170 0.463 1.00 61.20 O ATOM 1154 CB THR A 74 -4.321 -12.402 -2.824 1.00 55.13 C ATOM 1155 OG1 THR A 74 -5.719 -12.272 -2.929 1.00 24.05 O ATOM 1156 CG2 THR A 74 -3.997 -13.862 -3.093 1.00 72.23 C ATOM 0 H THR A 74 -2.133 -13.161 -1.795 1.00 33.13 H new ATOM 0 HA THR A 74 -3.811 -10.760 -1.590 1.00 13.41 H new ATOM 0 HB THR A 74 -3.827 -11.774 -3.566 1.00 55.13 H new ATOM 0 HG1 THR A 74 -6.019 -12.644 -3.785 1.00 24.05 H new ATOM 0 HG21 THR A 74 -4.450 -14.168 -4.036 1.00 72.23 H new ATOM 0 HG22 THR A 74 -2.916 -13.990 -3.152 1.00 72.23 H new ATOM 0 HG23 THR A 74 -4.392 -14.477 -2.284 1.00 72.23 H new ATOM 1164 N ILE A 75 -5.624 -11.554 0.062 1.00 3.35 N ATOM 1165 CA ILE A 75 -6.393 -11.725 1.304 1.00 40.51 C ATOM 1166 C ILE A 75 -7.909 -11.525 1.068 1.00 62.21 C ATOM 1167 O ILE A 75 -8.683 -11.343 2.010 1.00 13.42 O ATOM 1168 CB ILE A 75 -5.880 -10.742 2.395 1.00 20.32 C ATOM 1169 CG1 ILE A 75 -4.404 -10.292 2.313 1.00 4.15 C ATOM 1170 CG2 ILE A 75 -6.082 -11.369 3.783 1.00 32.43 C ATOM 1171 CD1 ILE A 75 -4.097 -9.171 1.321 1.00 20.33 C ATOM 0 H ILE A 75 -6.017 -10.845 -0.557 1.00 3.35 H new ATOM 0 HA ILE A 75 -6.245 -12.748 1.649 1.00 40.51 H new ATOM 0 HB ILE A 75 -6.472 -9.844 2.216 1.00 20.32 H new ATOM 0 HG12 ILE A 75 -4.088 -9.968 3.305 1.00 4.15 H new ATOM 0 HG13 ILE A 75 -3.795 -11.158 2.052 1.00 4.15 H new ATOM 0 HG21 ILE A 75 -5.723 -10.681 4.549 1.00 32.43 H new ATOM 0 HG22 ILE A 75 -7.142 -11.568 3.942 1.00 32.43 H new ATOM 0 HG23 ILE A 75 -5.525 -12.304 3.845 1.00 32.43 H new ATOM 0 HD11 ILE A 75 -3.032 -8.940 1.351 1.00 20.33 H new ATOM 0 HD12 ILE A 75 -4.371 -9.490 0.315 1.00 20.33 H new ATOM 0 HD13 ILE A 75 -4.669 -8.282 1.588 1.00 20.33 H new ATOM 1183 N ASP A 76 -8.328 -11.524 -0.200 1.00 71.41 N ATOM 1184 CA ASP A 76 -9.728 -11.394 -0.641 1.00 35.42 C ATOM 1185 C ASP A 76 -9.843 -11.768 -2.134 1.00 2.23 C ATOM 1186 O ASP A 76 -10.780 -11.349 -2.810 1.00 41.23 O ATOM 1187 CB ASP A 76 -10.267 -9.969 -0.350 1.00 22.21 C ATOM 1188 CG ASP A 76 -11.745 -9.881 0.035 1.00 22.23 C ATOM 1189 OD1 ASP A 76 -12.581 -9.493 -0.811 1.00 11.53 O ATOM 1190 OD2 ASP A 76 -12.065 -9.978 1.243 1.00 13.23 O ATOM 0 H ASP A 76 -7.679 -11.617 -0.982 1.00 71.41 H new ATOM 0 HA ASP A 76 -10.350 -12.087 -0.075 1.00 35.42 H new ATOM 0 HB2 ASP A 76 -9.675 -9.535 0.456 1.00 22.21 H new ATOM 0 HB3 ASP A 76 -10.104 -9.352 -1.234 1.00 22.21 H new ATOM 1195 N GLY A 77 -8.851 -12.485 -2.690 1.00 13.55 N ATOM 1196 CA GLY A 77 -8.751 -12.801 -4.116 1.00 64.33 C ATOM 1197 C GLY A 77 -8.362 -11.606 -4.983 1.00 1.54 C ATOM 1198 O GLY A 77 -8.720 -11.524 -6.161 1.00 75.34 O ATOM 0 H GLY A 77 -8.080 -12.868 -2.142 1.00 13.55 H new ATOM 0 HA2 GLY A 77 -8.015 -13.593 -4.253 1.00 64.33 H new ATOM 0 HA3 GLY A 77 -9.708 -13.192 -4.460 1.00 64.33 H new ATOM 1202 N LYS A 78 -7.590 -10.681 -4.411 1.00 62.01 N ATOM 1203 CA LYS A 78 -7.073 -9.473 -5.032 1.00 61.21 C ATOM 1204 C LYS A 78 -5.567 -9.422 -4.843 1.00 75.10 C ATOM 1205 O LYS A 78 -5.089 -9.045 -3.775 1.00 72.21 O ATOM 1206 CB LYS A 78 -7.800 -8.237 -4.490 1.00 3.45 C ATOM 1207 CG LYS A 78 -8.421 -8.400 -3.101 1.00 3.11 C ATOM 1208 CD LYS A 78 -7.496 -8.430 -1.887 1.00 74.11 C ATOM 1209 CE LYS A 78 -7.160 -7.004 -1.480 1.00 34.25 C ATOM 1210 NZ LYS A 78 -6.651 -6.955 -0.100 1.00 32.01 N ATOM 0 H LYS A 78 -7.293 -10.767 -3.439 1.00 62.01 H new ATOM 0 HA LYS A 78 -7.265 -9.483 -6.105 1.00 61.21 H new ATOM 0 HB2 LYS A 78 -7.096 -7.406 -4.460 1.00 3.45 H new ATOM 0 HB3 LYS A 78 -8.587 -7.962 -5.192 1.00 3.45 H new ATOM 0 HG2 LYS A 78 -9.130 -7.584 -2.957 1.00 3.11 H new ATOM 0 HG3 LYS A 78 -8.996 -9.326 -3.102 1.00 3.11 H new ATOM 0 HD2 LYS A 78 -7.977 -8.953 -1.061 1.00 74.11 H new ATOM 0 HD3 LYS A 78 -6.584 -8.978 -2.123 1.00 74.11 H new ATOM 0 HE2 LYS A 78 -6.414 -6.594 -2.161 1.00 34.25 H new ATOM 0 HE3 LYS A 78 -8.049 -6.379 -1.566 1.00 34.25 H new ATOM 0 HZ1 LYS A 78 -7.340 -6.468 0.507 1.00 32.01 H new ATOM 0 HZ2 LYS A 78 -6.504 -7.923 0.251 1.00 32.01 H new ATOM 0 HZ3 LYS A 78 -5.748 -6.440 -0.081 1.00 32.01 H new ATOM 1224 N THR A 79 -4.798 -9.827 -5.844 1.00 35.42 N ATOM 1225 CA THR A 79 -3.360 -9.699 -5.718 1.00 72.34 C ATOM 1226 C THR A 79 -3.023 -8.208 -5.773 1.00 35.34 C ATOM 1227 O THR A 79 -3.361 -7.549 -6.752 1.00 60.20 O ATOM 1228 CB THR A 79 -2.631 -10.503 -6.793 1.00 51.11 C ATOM 1229 OG1 THR A 79 -3.264 -11.755 -7.032 1.00 74.40 O ATOM 1230 CG2 THR A 79 -1.224 -10.769 -6.270 1.00 0.31 C ATOM 0 H THR A 79 -5.132 -10.231 -6.719 1.00 35.42 H new ATOM 0 HA THR A 79 -3.021 -10.113 -4.768 1.00 72.34 H new ATOM 0 HB THR A 79 -2.632 -9.942 -7.727 1.00 51.11 H new ATOM 0 HG1 THR A 79 -2.773 -12.243 -7.726 1.00 74.40 H new ATOM 0 HG21 THR A 79 -0.664 -11.343 -7.008 1.00 0.31 H new ATOM 0 HG22 THR A 79 -0.718 -9.821 -6.088 1.00 0.31 H new ATOM 0 HG23 THR A 79 -1.282 -11.333 -5.339 1.00 0.31 H new ATOM 1238 N ILE A 80 -2.449 -7.647 -4.716 1.00 11.14 N ATOM 1239 CA ILE A 80 -2.065 -6.244 -4.647 1.00 74.33 C ATOM 1240 C ILE A 80 -1.030 -5.960 -5.747 1.00 1.34 C ATOM 1241 O ILE A 80 -0.290 -6.857 -6.161 1.00 2.24 O ATOM 1242 CB ILE A 80 -1.555 -5.939 -3.215 1.00 0.32 C ATOM 1243 CG1 ILE A 80 -2.576 -6.307 -2.111 1.00 73.31 C ATOM 1244 CG2 ILE A 80 -1.138 -4.473 -3.036 1.00 40.43 C ATOM 1245 CD1 ILE A 80 -3.980 -5.747 -2.347 1.00 12.35 C ATOM 0 H ILE A 80 -2.233 -8.166 -3.865 1.00 11.14 H new ATOM 0 HA ILE A 80 -2.909 -5.579 -4.830 1.00 74.33 H new ATOM 0 HB ILE A 80 -0.678 -6.576 -3.100 1.00 0.32 H new ATOM 0 HG12 ILE A 80 -2.637 -7.393 -2.035 1.00 73.31 H new ATOM 0 HG13 ILE A 80 -2.207 -5.941 -1.153 1.00 73.31 H new ATOM 0 HG21 ILE A 80 -0.789 -4.316 -2.015 1.00 40.43 H new ATOM 0 HG22 ILE A 80 -0.335 -4.235 -3.734 1.00 40.43 H new ATOM 0 HG23 ILE A 80 -1.993 -3.825 -3.231 1.00 40.43 H new ATOM 0 HD11 ILE A 80 -4.635 -6.050 -1.530 1.00 12.35 H new ATOM 0 HD12 ILE A 80 -3.935 -4.659 -2.392 1.00 12.35 H new ATOM 0 HD13 ILE A 80 -4.372 -6.133 -3.288 1.00 12.35 H new ATOM 1257 N ASN A 81 -0.953 -4.708 -6.198 1.00 40.32 N ATOM 1258 CA ASN A 81 0.147 -4.199 -7.019 1.00 62.02 C ATOM 1259 C ASN A 81 0.927 -3.168 -6.220 1.00 14.44 C ATOM 1260 O ASN A 81 0.371 -2.584 -5.289 1.00 24.31 O ATOM 1261 CB ASN A 81 -0.377 -3.545 -8.305 1.00 4.55 C ATOM 1262 CG ASN A 81 0.115 -4.292 -9.518 1.00 12.51 C ATOM 1263 OD1 ASN A 81 1.232 -4.051 -9.966 1.00 41.41 O ATOM 1264 ND2 ASN A 81 -0.676 -5.211 -10.029 1.00 14.24 N ATOM 0 H ASN A 81 -1.666 -4.006 -6.000 1.00 40.32 H new ATOM 0 HA ASN A 81 0.788 -5.036 -7.294 1.00 62.02 H new ATOM 0 HB2 ASN A 81 -1.467 -3.533 -8.296 1.00 4.55 H new ATOM 0 HB3 ASN A 81 -0.048 -2.507 -8.352 1.00 4.55 H new ATOM 0 HD21 ASN A 81 -0.369 -5.759 -10.832 1.00 14.24 H new ATOM 0 HD22 ASN A 81 -1.597 -5.375 -9.622 1.00 14.24 H new ATOM 1271 N VAL A 82 2.166 -2.904 -6.621 1.00 24.02 N ATOM 1272 CA VAL A 82 3.095 -2.007 -5.953 1.00 24.44 C ATOM 1273 C VAL A 82 3.731 -1.103 -7.011 1.00 11.52 C ATOM 1274 O VAL A 82 4.187 -1.593 -8.046 1.00 22.41 O ATOM 1275 CB VAL A 82 4.171 -2.845 -5.217 1.00 75.15 C ATOM 1276 CG1 VAL A 82 5.120 -1.964 -4.391 1.00 54.24 C ATOM 1277 CG2 VAL A 82 3.573 -3.903 -4.270 1.00 14.31 C ATOM 0 H VAL A 82 2.565 -3.329 -7.458 1.00 24.02 H new ATOM 0 HA VAL A 82 2.582 -1.389 -5.216 1.00 24.44 H new ATOM 0 HB VAL A 82 4.718 -3.348 -6.014 1.00 75.15 H new ATOM 0 HG11 VAL A 82 5.858 -2.592 -3.892 1.00 54.24 H new ATOM 0 HG12 VAL A 82 5.629 -1.260 -5.050 1.00 54.24 H new ATOM 0 HG13 VAL A 82 4.548 -1.414 -3.644 1.00 54.24 H new ATOM 0 HG21 VAL A 82 4.379 -4.455 -3.786 1.00 14.31 H new ATOM 0 HG22 VAL A 82 2.964 -3.410 -3.512 1.00 14.31 H new ATOM 0 HG23 VAL A 82 2.952 -4.593 -4.841 1.00 14.31 H new ATOM 1287 N GLU A 83 3.865 0.188 -6.715 1.00 31.23 N ATOM 1288 CA GLU A 83 4.809 1.073 -7.370 1.00 23.22 C ATOM 1289 C GLU A 83 5.665 1.738 -6.309 1.00 21.03 C ATOM 1290 O GLU A 83 5.185 2.056 -5.219 1.00 62.13 O ATOM 1291 CB GLU A 83 4.097 2.177 -8.157 1.00 0.40 C ATOM 1292 CG GLU A 83 3.305 1.679 -9.351 1.00 75.01 C ATOM 1293 CD GLU A 83 1.818 1.480 -9.104 1.00 34.00 C ATOM 1294 OE1 GLU A 83 1.422 0.329 -8.833 1.00 63.22 O ATOM 1295 OE2 GLU A 83 1.044 2.438 -9.366 1.00 40.32 O ATOM 0 H GLU A 83 3.307 0.651 -5.998 1.00 31.23 H new ATOM 0 HA GLU A 83 5.407 0.478 -8.061 1.00 23.22 H new ATOM 0 HB2 GLU A 83 3.424 2.710 -7.485 1.00 0.40 H new ATOM 0 HB3 GLU A 83 4.839 2.897 -8.502 1.00 0.40 H new ATOM 0 HG2 GLU A 83 3.429 2.387 -10.170 1.00 75.01 H new ATOM 0 HG3 GLU A 83 3.732 0.732 -9.681 1.00 75.01 H new ATOM 1302 N PHE A 84 6.901 2.060 -6.671 1.00 24.02 N ATOM 1303 CA PHE A 84 7.611 3.157 -6.034 1.00 52.54 C ATOM 1304 C PHE A 84 7.036 4.440 -6.644 1.00 40.21 C ATOM 1305 O PHE A 84 6.592 4.442 -7.795 1.00 20.23 O ATOM 1306 CB PHE A 84 9.115 2.996 -6.312 1.00 24.42 C ATOM 1307 CG PHE A 84 10.124 3.755 -5.455 1.00 13.11 C ATOM 1308 CD1 PHE A 84 9.859 4.119 -4.116 1.00 40.15 C ATOM 1309 CD2 PHE A 84 11.406 4.004 -5.987 1.00 75.13 C ATOM 1310 CE1 PHE A 84 10.851 4.740 -3.336 1.00 51.33 C ATOM 1311 CE2 PHE A 84 12.400 4.618 -5.205 1.00 62.02 C ATOM 1312 CZ PHE A 84 12.121 4.993 -3.880 1.00 3.32 C ATOM 0 H PHE A 84 7.429 1.578 -7.399 1.00 24.02 H new ATOM 0 HA PHE A 84 7.489 3.181 -4.951 1.00 52.54 H new ATOM 0 HB2 PHE A 84 9.350 1.935 -6.230 1.00 24.42 H new ATOM 0 HB3 PHE A 84 9.288 3.282 -7.350 1.00 24.42 H new ATOM 0 HD1 PHE A 84 8.888 3.919 -3.688 1.00 40.15 H new ATOM 0 HD2 PHE A 84 11.626 3.720 -7.005 1.00 75.13 H new ATOM 0 HE1 PHE A 84 10.636 5.023 -2.316 1.00 51.33 H new ATOM 0 HE2 PHE A 84 13.379 4.802 -5.623 1.00 62.02 H new ATOM 0 HZ PHE A 84 12.881 5.474 -3.282 1.00 3.32 H new ATOM 1322 N ALA A 85 7.018 5.537 -5.899 1.00 74.44 N ATOM 1323 CA ALA A 85 6.689 6.861 -6.395 1.00 13.52 C ATOM 1324 C ALA A 85 7.751 7.806 -5.859 1.00 42.44 C ATOM 1325 O ALA A 85 7.553 8.562 -4.900 1.00 2.23 O ATOM 1326 CB ALA A 85 5.257 7.236 -6.024 1.00 34.33 C ATOM 0 H ALA A 85 7.239 5.527 -4.903 1.00 74.44 H new ATOM 0 HA ALA A 85 6.704 6.912 -7.484 1.00 13.52 H new ATOM 0 HB1 ALA A 85 5.031 8.232 -6.405 1.00 34.33 H new ATOM 0 HB2 ALA A 85 4.567 6.515 -6.462 1.00 34.33 H new ATOM 0 HB3 ALA A 85 5.149 7.230 -4.939 1.00 34.33 H new ATOM 1332 N LYS A 86 8.923 7.695 -6.475 1.00 73.42 N ATOM 1333 CA LYS A 86 10.068 8.537 -6.228 1.00 61.21 C ATOM 1334 C LYS A 86 10.143 9.542 -7.364 1.00 75.03 C ATOM 1335 O LYS A 86 10.418 9.181 -8.507 1.00 44.15 O ATOM 1336 CB LYS A 86 11.300 7.648 -6.116 1.00 62.21 C ATOM 1337 CG LYS A 86 12.603 8.415 -5.902 1.00 60.12 C ATOM 1338 CD LYS A 86 12.598 9.329 -4.661 1.00 2.44 C ATOM 1339 CE LYS A 86 14.016 9.703 -4.185 1.00 0.10 C ATOM 1340 NZ LYS A 86 14.849 8.538 -3.825 1.00 75.04 N ATOM 0 H LYS A 86 9.099 6.985 -7.186 1.00 73.42 H new ATOM 0 HA LYS A 86 9.997 9.095 -5.294 1.00 61.21 H new ATOM 0 HB2 LYS A 86 11.160 6.953 -5.288 1.00 62.21 H new ATOM 0 HB3 LYS A 86 11.387 7.050 -7.023 1.00 62.21 H new ATOM 0 HG2 LYS A 86 13.422 7.701 -5.811 1.00 60.12 H new ATOM 0 HG3 LYS A 86 12.805 9.021 -6.785 1.00 60.12 H new ATOM 0 HD2 LYS A 86 12.045 10.240 -4.889 1.00 2.44 H new ATOM 0 HD3 LYS A 86 12.068 8.829 -3.850 1.00 2.44 H new ATOM 0 HE2 LYS A 86 14.517 10.267 -4.972 1.00 0.10 H new ATOM 0 HE3 LYS A 86 13.937 10.363 -3.321 1.00 0.10 H new ATOM 0 HZ1 LYS A 86 15.677 8.858 -3.283 1.00 75.04 H new ATOM 0 HZ2 LYS A 86 14.291 7.878 -3.247 1.00 75.04 H new ATOM 0 HZ3 LYS A 86 15.166 8.057 -4.691 1.00 75.04 H new