USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 SER OG : rot 180:sc= 0.203 USER MOD Set 1.2: A 21 SER OG : rot -66:sc= 0.103 USER MOD Set 2.1: A 8 GLN : amide:sc= 0.513 K(o=1.4,f=-0.021) USER MOD Set 2.2: A 10 THR OG1 : rot -15:sc= 0.887 USER MOD Set 2.3: A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -115:sc= -0.0629 (180deg=-0.377) USER MOD Single : A 4 SER OG : rot 180:sc= -0.448 USER MOD Single : A 13 SER OG : rot 60:sc= 1.23 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00651 USER MOD Single : A 27 THR OG1 : rot 92:sc= 1.3 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0567 USER MOD Single : A 32 SER OG : rot -23:sc= 0.908 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0151 USER MOD Single : A 40 THR OG1 : rot 16:sc= 1.47 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : A 62 TYR OH : rot -24:sc= 1.24 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 130:sc= 0 USER MOD Single : A 76 SER OG : rot 180:sc= -0.154 USER MOD Single : A 79 THR OG1 : rot -89:sc= 0.177 USER MOD Single : A 82 ASN : amide:sc= 0.0126 X(o=0.013,f=-0.19) USER MOD Single : A 86 SER OG : rot -126:sc= 0.216 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -81:sc= 1.27 USER MOD Single : A 93 GLN : amide:sc= -0.055 X(o=-0.055,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 THR OG1 : rot -140:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.086 -1.522 6.597 1.00 0.00 N ATOM 2 CA MET A 1 -24.710 -0.199 6.732 1.00 0.00 C ATOM 3 C MET A 1 -23.634 0.891 6.586 1.00 0.00 C ATOM 4 O MET A 1 -23.556 1.813 7.397 1.00 0.00 O ATOM 5 CB MET A 1 -25.429 -0.095 8.084 1.00 0.00 C ATOM 6 CG MET A 1 -26.608 -1.054 8.294 1.00 0.00 C ATOM 7 SD MET A 1 -26.777 -1.625 10.010 1.00 0.00 S ATOM 8 CE MET A 1 -28.574 -1.809 10.148 1.00 0.00 C ATOM 0 H1 MET A 1 -24.450 -1.992 5.743 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.055 -1.413 6.520 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.312 -2.099 7.432 1.00 0.00 H new ATOM 0 HA MET A 1 -25.452 -0.058 5.946 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.700 -0.269 8.875 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.791 0.926 8.203 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.530 -0.556 7.992 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.484 -1.919 7.642 1.00 0.00 H new ATOM 0 HE1 MET A 1 -28.828 -2.154 11.150 1.00 0.00 H new ATOM 0 HE2 MET A 1 -29.053 -0.848 9.963 1.00 0.00 H new ATOM 0 HE3 MET A 1 -28.923 -2.536 9.414 1.00 0.00 H new ATOM 20 N ARG A 2 -22.792 0.805 5.552 1.00 0.00 N ATOM 21 CA ARG A 2 -21.789 1.793 5.169 1.00 0.00 C ATOM 22 C ARG A 2 -21.565 1.692 3.661 1.00 0.00 C ATOM 23 O ARG A 2 -22.081 0.760 3.029 1.00 0.00 O ATOM 24 CB ARG A 2 -20.489 1.581 5.972 1.00 0.00 C ATOM 25 CG ARG A 2 -19.875 0.174 5.880 1.00 0.00 C ATOM 26 CD ARG A 2 -18.571 0.067 6.688 1.00 0.00 C ATOM 27 NE ARG A 2 -18.801 0.203 8.133 1.00 0.00 N ATOM 28 CZ ARG A 2 -17.924 -0.011 9.119 1.00 0.00 C ATOM 29 NH1 ARG A 2 -16.638 -0.233 8.876 1.00 0.00 N ATOM 30 NH2 ARG A 2 -18.353 -0.012 10.367 1.00 0.00 N ATOM 0 H ARG A 2 -22.795 -0.002 4.928 1.00 0.00 H new ATOM 0 HA ARG A 2 -22.134 2.800 5.402 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -19.749 2.304 5.629 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -20.690 1.803 7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -20.592 -0.560 6.248 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -19.677 -0.069 4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -18.098 -0.894 6.486 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -17.877 0.840 6.358 1.00 0.00 H new ATOM 0 HE ARG A 2 -19.737 0.494 8.416 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -16.295 -0.244 7.916 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -15.993 -0.393 9.650 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -19.340 0.149 10.567 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -17.697 -0.174 11.132 1.00 0.00 H new ATOM 44 N GLY A 3 -20.791 2.599 3.073 1.00 0.00 N ATOM 45 CA GLY A 3 -20.426 2.490 1.671 1.00 0.00 C ATOM 46 C GLY A 3 -19.471 3.595 1.249 1.00 0.00 C ATOM 47 O GLY A 3 -19.726 4.773 1.489 1.00 0.00 O ATOM 0 H GLY A 3 -20.406 3.416 3.548 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -19.962 1.520 1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -21.325 2.533 1.057 1.00 0.00 H new ATOM 51 N SER A 4 -18.420 3.227 0.512 1.00 0.00 N ATOM 52 CA SER A 4 -17.514 4.090 -0.262 1.00 0.00 C ATOM 53 C SER A 4 -16.787 5.194 0.529 1.00 0.00 C ATOM 54 O SER A 4 -16.157 6.060 -0.078 1.00 0.00 O ATOM 55 CB SER A 4 -18.243 4.609 -1.517 1.00 0.00 C ATOM 56 OG SER A 4 -19.574 5.018 -1.251 1.00 0.00 O ATOM 0 H SER A 4 -18.157 2.245 0.433 1.00 0.00 H new ATOM 0 HA SER A 4 -16.680 3.458 -0.567 1.00 0.00 H new ATOM 0 HB2 SER A 4 -17.686 5.449 -1.933 1.00 0.00 H new ATOM 0 HB3 SER A 4 -18.253 3.826 -2.275 1.00 0.00 H new ATOM 0 HG SER A 4 -19.989 5.339 -2.079 1.00 0.00 H new ATOM 62 N GLU A 5 -16.876 5.152 1.858 1.00 0.00 N ATOM 63 CA GLU A 5 -16.862 6.311 2.736 1.00 0.00 C ATOM 64 C GLU A 5 -15.561 7.115 2.638 1.00 0.00 C ATOM 65 O GLU A 5 -15.538 8.159 1.980 1.00 0.00 O ATOM 66 CB GLU A 5 -17.204 5.820 4.152 1.00 0.00 C ATOM 67 CG GLU A 5 -17.886 6.879 5.023 1.00 0.00 C ATOM 68 CD GLU A 5 -16.965 8.009 5.467 1.00 0.00 C ATOM 69 OE1 GLU A 5 -16.009 7.745 6.227 1.00 0.00 O ATOM 70 OE2 GLU A 5 -17.236 9.172 5.085 1.00 0.00 O ATOM 0 H GLU A 5 -16.963 4.273 2.368 1.00 0.00 H new ATOM 0 HA GLU A 5 -17.616 7.035 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.855 4.949 4.078 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.288 5.492 4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -18.724 7.304 4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -18.301 6.394 5.907 1.00 0.00 H new ATOM 77 N VAL A 6 -14.473 6.678 3.279 1.00 0.00 N ATOM 78 CA VAL A 6 -13.206 7.395 3.175 1.00 0.00 C ATOM 79 C VAL A 6 -12.596 7.039 1.805 1.00 0.00 C ATOM 80 O VAL A 6 -12.552 5.850 1.471 1.00 0.00 O ATOM 81 CB VAL A 6 -12.278 7.011 4.342 1.00 0.00 C ATOM 82 CG1 VAL A 6 -10.897 7.661 4.227 1.00 0.00 C ATOM 83 CG2 VAL A 6 -12.861 7.377 5.712 1.00 0.00 C ATOM 0 H VAL A 6 -14.446 5.844 3.866 1.00 0.00 H new ATOM 0 HA VAL A 6 -13.351 8.473 3.241 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.182 5.928 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.281 7.359 5.074 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -10.421 7.342 3.300 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.004 8.746 4.226 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.163 7.082 6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.028 8.453 5.761 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -13.808 6.856 5.855 1.00 0.00 H new ATOM 93 N PRO A 7 -12.089 8.019 1.032 1.00 0.00 N ATOM 94 CA PRO A 7 -11.606 7.786 -0.327 1.00 0.00 C ATOM 95 C PRO A 7 -10.363 6.891 -0.354 1.00 0.00 C ATOM 96 O PRO A 7 -9.422 7.130 0.413 1.00 0.00 O ATOM 97 CB PRO A 7 -11.327 9.167 -0.922 1.00 0.00 C ATOM 98 CG PRO A 7 -11.368 10.157 0.233 1.00 0.00 C ATOM 99 CD PRO A 7 -12.120 9.441 1.347 1.00 0.00 C ATOM 0 HA PRO A 7 -12.351 7.249 -0.915 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.355 9.187 -1.415 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.072 9.421 -1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -10.363 10.433 0.551 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -11.875 11.078 -0.056 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.653 9.633 2.313 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -13.147 9.800 1.412 1.00 0.00 H new ATOM 107 N GLN A 8 -10.346 5.878 -1.229 1.00 0.00 N ATOM 108 CA GLN A 8 -9.257 4.934 -1.446 1.00 0.00 C ATOM 109 C GLN A 8 -8.508 5.303 -2.724 1.00 0.00 C ATOM 110 O GLN A 8 -9.054 5.987 -3.590 1.00 0.00 O ATOM 111 CB GLN A 8 -9.757 3.481 -1.363 1.00 0.00 C ATOM 112 CG GLN A 8 -10.573 3.042 -2.580 1.00 0.00 C ATOM 113 CD GLN A 8 -9.747 2.509 -3.753 1.00 0.00 C ATOM 114 OE1 GLN A 8 -9.579 3.188 -4.754 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.216 1.300 -3.691 1.00 0.00 N ATOM 0 H GLN A 8 -11.142 5.689 -1.838 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.522 5.003 -0.644 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.900 2.817 -1.252 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.367 3.366 -0.467 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.275 2.269 -2.268 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.165 3.889 -2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.351 0.726 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.671 0.941 -4.475 1.00 0.00 H new ATOM 124 N LEU A 9 -7.251 4.876 -2.819 1.00 0.00 N ATOM 125 CA LEU A 9 -6.339 5.251 -3.890 1.00 0.00 C ATOM 126 C LEU A 9 -6.729 4.536 -5.180 1.00 0.00 C ATOM 127 O LEU A 9 -6.213 3.468 -5.504 1.00 0.00 O ATOM 128 CB LEU A 9 -4.883 4.943 -3.497 1.00 0.00 C ATOM 129 CG LEU A 9 -4.310 5.867 -2.409 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.942 5.340 -1.989 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.135 7.315 -2.864 1.00 0.00 C ATOM 0 H LEU A 9 -6.831 4.245 -2.136 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.413 6.325 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.824 3.912 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.256 5.016 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.028 5.865 -1.589 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.524 5.987 -1.217 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.046 4.328 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.276 5.328 -2.852 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.727 7.907 -2.045 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.451 7.350 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.102 7.723 -3.160 1.00 0.00 H new ATOM 143 N THR A 10 -7.630 5.144 -5.939 1.00 0.00 N ATOM 144 CA THR A 10 -8.098 4.610 -7.215 1.00 0.00 C ATOM 145 C THR A 10 -6.981 4.591 -8.288 1.00 0.00 C ATOM 146 O THR A 10 -7.147 3.946 -9.323 1.00 0.00 O ATOM 147 CB THR A 10 -9.377 5.378 -7.604 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.328 5.279 -6.552 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.104 4.825 -8.830 1.00 0.00 C ATOM 0 H THR A 10 -8.063 6.032 -5.685 1.00 0.00 H new ATOM 0 HA THR A 10 -8.360 3.556 -7.127 1.00 0.00 H new ATOM 0 HB THR A 10 -9.034 6.391 -7.812 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.066 4.559 -5.941 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.991 5.427 -9.029 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.440 4.860 -9.694 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.400 3.793 -8.642 1.00 0.00 H new ATOM 157 N ASP A 11 -5.815 5.216 -8.056 1.00 0.00 N ATOM 158 CA ASP A 11 -4.630 5.101 -8.920 1.00 0.00 C ATOM 159 C ASP A 11 -3.655 4.011 -8.440 1.00 0.00 C ATOM 160 O ASP A 11 -2.608 3.832 -9.063 1.00 0.00 O ATOM 161 CB ASP A 11 -3.898 6.459 -9.050 1.00 0.00 C ATOM 162 CG ASP A 11 -4.142 7.204 -10.362 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.836 6.673 -11.449 1.00 0.00 O ATOM 164 OD2 ASP A 11 -4.588 8.377 -10.278 1.00 0.00 O ATOM 0 H ASP A 11 -5.668 5.824 -7.251 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.993 4.803 -9.904 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.205 7.100 -8.224 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -2.827 6.289 -8.941 1.00 0.00 H new ATOM 169 N LEU A 12 -3.940 3.292 -7.343 1.00 0.00 N ATOM 170 CA LEU A 12 -3.001 2.341 -6.708 1.00 0.00 C ATOM 171 C LEU A 12 -2.488 1.305 -7.712 1.00 0.00 C ATOM 172 O LEU A 12 -3.235 0.406 -8.109 1.00 0.00 O ATOM 173 CB LEU A 12 -3.636 1.663 -5.468 1.00 0.00 C ATOM 174 CG LEU A 12 -2.722 0.872 -4.497 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.269 -0.539 -4.929 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.511 1.725 -4.104 1.00 0.00 C ATOM 0 H LEU A 12 -4.838 3.352 -6.863 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.140 2.913 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.139 2.438 -4.890 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.407 0.980 -5.824 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.371 0.672 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.636 -0.971 -4.154 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.144 -1.172 -5.079 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.707 -0.471 -5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.875 1.161 -3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.944 1.985 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.852 2.636 -3.613 1.00 0.00 H new ATOM 188 N SER A 13 -1.228 1.421 -8.137 1.00 0.00 N ATOM 189 CA SER A 13 -0.624 0.603 -9.184 1.00 0.00 C ATOM 190 C SER A 13 0.809 0.259 -8.802 1.00 0.00 C ATOM 191 O SER A 13 1.512 1.128 -8.307 1.00 0.00 O ATOM 192 CB SER A 13 -0.669 1.353 -10.520 1.00 0.00 C ATOM 193 OG SER A 13 -1.956 1.915 -10.786 1.00 0.00 O ATOM 0 H SER A 13 -0.583 2.109 -7.748 1.00 0.00 H new ATOM 0 HA SER A 13 -1.185 -0.325 -9.293 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.077 2.148 -10.513 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.400 0.670 -11.326 1.00 0.00 H new ATOM 0 HG SER A 13 -2.192 2.544 -10.073 1.00 0.00 H new ATOM 199 N PHE A 14 1.261 -0.972 -9.025 1.00 0.00 N ATOM 200 CA PHE A 14 2.662 -1.328 -8.862 1.00 0.00 C ATOM 201 C PHE A 14 3.361 -1.190 -10.219 1.00 0.00 C ATOM 202 O PHE A 14 2.711 -1.248 -11.272 1.00 0.00 O ATOM 203 CB PHE A 14 2.784 -2.741 -8.273 1.00 0.00 C ATOM 204 CG PHE A 14 2.133 -2.903 -6.913 1.00 0.00 C ATOM 205 CD1 PHE A 14 0.749 -3.128 -6.793 1.00 0.00 C ATOM 206 CD2 PHE A 14 2.916 -2.794 -5.753 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.146 -3.188 -5.524 1.00 0.00 C ATOM 208 CE2 PHE A 14 2.323 -2.900 -4.488 1.00 0.00 C ATOM 209 CZ PHE A 14 0.935 -3.081 -4.368 1.00 0.00 C ATOM 0 H PHE A 14 0.667 -1.746 -9.322 1.00 0.00 H new ATOM 0 HA PHE A 14 3.153 -0.656 -8.158 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.334 -3.452 -8.966 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.840 -2.999 -8.192 1.00 0.00 H new ATOM 0 HD1 PHE A 14 0.147 -3.255 -7.680 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.980 -2.628 -5.836 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.923 -3.316 -5.439 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.936 -2.842 -3.601 1.00 0.00 H new ATOM 0 HZ PHE A 14 0.477 -3.138 -3.391 1.00 0.00 H new ATOM 219 N VAL A 15 4.677 -0.998 -10.196 1.00 0.00 N ATOM 220 CA VAL A 15 5.574 -1.044 -11.345 1.00 0.00 C ATOM 221 C VAL A 15 6.925 -1.623 -10.903 1.00 0.00 C ATOM 222 O VAL A 15 7.198 -1.670 -9.705 1.00 0.00 O ATOM 223 CB VAL A 15 5.765 0.363 -11.948 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.652 0.727 -12.938 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.910 1.486 -10.906 1.00 0.00 C ATOM 0 H VAL A 15 5.172 -0.795 -9.328 1.00 0.00 H new ATOM 0 HA VAL A 15 5.137 -1.680 -12.115 1.00 0.00 H new ATOM 0 HB VAL A 15 6.714 0.294 -12.479 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.831 1.726 -13.335 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.643 0.007 -13.757 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.689 0.707 -12.427 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.040 2.441 -11.416 1.00 0.00 H new ATOM 0 HG22 VAL A 15 5.014 1.525 -10.286 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.778 1.289 -10.277 1.00 0.00 H new ATOM 235 N ASP A 16 7.794 -1.981 -11.856 1.00 0.00 N ATOM 236 CA ASP A 16 9.166 -2.458 -11.664 1.00 0.00 C ATOM 237 C ASP A 16 9.152 -3.584 -10.636 1.00 0.00 C ATOM 238 O ASP A 16 9.719 -3.462 -9.549 1.00 0.00 O ATOM 239 CB ASP A 16 10.136 -1.306 -11.316 1.00 0.00 C ATOM 240 CG ASP A 16 10.484 -0.452 -12.532 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.739 0.507 -12.840 1.00 0.00 O ATOM 242 OD2 ASP A 16 11.478 -0.760 -13.235 1.00 0.00 O ATOM 0 H ASP A 16 7.540 -1.942 -12.843 1.00 0.00 H new ATOM 0 HA ASP A 16 9.553 -2.863 -12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.687 -0.675 -10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.051 -1.720 -10.892 1.00 0.00 H new ATOM 247 N ILE A 17 8.430 -4.656 -10.973 1.00 0.00 N ATOM 248 CA ILE A 17 8.158 -5.812 -10.133 1.00 0.00 C ATOM 249 C ILE A 17 9.381 -6.735 -10.194 1.00 0.00 C ATOM 250 O ILE A 17 9.340 -7.837 -10.743 1.00 0.00 O ATOM 251 CB ILE A 17 6.853 -6.506 -10.593 1.00 0.00 C ATOM 252 CG1 ILE A 17 5.698 -5.580 -11.031 1.00 0.00 C ATOM 253 CG2 ILE A 17 6.360 -7.497 -9.525 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.178 -4.602 -9.981 1.00 0.00 C ATOM 0 H ILE A 17 7.998 -4.739 -11.893 1.00 0.00 H new ATOM 0 HA ILE A 17 7.997 -5.522 -9.095 1.00 0.00 H new ATOM 0 HB ILE A 17 7.144 -7.027 -11.505 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.029 -5.007 -11.897 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.866 -6.203 -11.359 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.442 -7.974 -9.868 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.122 -8.257 -9.355 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.166 -6.963 -8.595 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.370 -4.007 -10.406 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.806 -5.157 -9.120 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.987 -3.942 -9.666 1.00 0.00 H new ATOM 266 N THR A 18 10.503 -6.233 -9.694 1.00 0.00 N ATOM 267 CA THR A 18 11.777 -6.935 -9.733 1.00 0.00 C ATOM 268 C THR A 18 12.035 -7.711 -8.430 1.00 0.00 C ATOM 269 O THR A 18 11.316 -7.586 -7.437 1.00 0.00 O ATOM 270 CB THR A 18 12.863 -5.939 -10.176 1.00 0.00 C ATOM 271 OG1 THR A 18 14.039 -6.620 -10.569 1.00 0.00 O ATOM 272 CG2 THR A 18 13.220 -4.882 -9.131 1.00 0.00 C ATOM 0 H THR A 18 10.553 -5.318 -9.246 1.00 0.00 H new ATOM 0 HA THR A 18 11.780 -7.730 -10.478 1.00 0.00 H new ATOM 0 HB THR A 18 12.426 -5.407 -11.021 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.716 -5.969 -10.849 1.00 0.00 H new ATOM 0 HG21 THR A 18 13.993 -4.224 -9.528 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.333 -4.296 -8.889 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.589 -5.372 -8.230 1.00 0.00 H new ATOM 280 N ASP A 19 13.095 -8.526 -8.423 1.00 0.00 N ATOM 281 CA ASP A 19 13.346 -9.571 -7.416 1.00 0.00 C ATOM 282 C ASP A 19 13.814 -8.989 -6.075 1.00 0.00 C ATOM 283 O ASP A 19 14.047 -9.730 -5.117 1.00 0.00 O ATOM 284 CB ASP A 19 14.427 -10.564 -7.889 1.00 0.00 C ATOM 285 CG ASP A 19 14.289 -11.020 -9.336 1.00 0.00 C ATOM 286 OD1 ASP A 19 13.474 -11.917 -9.635 1.00 0.00 O ATOM 287 OD2 ASP A 19 14.998 -10.450 -10.203 1.00 0.00 O ATOM 0 H ASP A 19 13.824 -8.478 -9.135 1.00 0.00 H new ATOM 0 HA ASP A 19 12.391 -10.079 -7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.406 -10.102 -7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.402 -11.441 -7.243 1.00 0.00 H new ATOM 292 N SER A 20 14.020 -7.673 -6.002 1.00 0.00 N ATOM 293 CA SER A 20 14.622 -6.983 -4.866 1.00 0.00 C ATOM 294 C SER A 20 13.765 -5.855 -4.298 1.00 0.00 C ATOM 295 O SER A 20 14.001 -5.374 -3.185 1.00 0.00 O ATOM 296 CB SER A 20 16.026 -6.518 -5.275 1.00 0.00 C ATOM 297 OG SER A 20 15.940 -5.404 -6.154 1.00 0.00 O ATOM 0 H SER A 20 13.763 -7.039 -6.759 1.00 0.00 H new ATOM 0 HA SER A 20 14.695 -7.685 -4.036 1.00 0.00 H new ATOM 0 HB2 SER A 20 16.599 -6.247 -4.389 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.559 -7.334 -5.762 1.00 0.00 H new ATOM 0 HG SER A 20 16.842 -5.116 -6.406 1.00 0.00 H new ATOM 303 N SER A 21 12.752 -5.436 -5.050 1.00 0.00 N ATOM 304 CA SER A 21 12.007 -4.225 -4.826 1.00 0.00 C ATOM 305 C SER A 21 10.836 -4.109 -5.779 1.00 0.00 C ATOM 306 O SER A 21 10.928 -4.506 -6.940 1.00 0.00 O ATOM 307 CB SER A 21 12.919 -2.993 -4.960 1.00 0.00 C ATOM 308 OG SER A 21 13.885 -3.132 -5.996 1.00 0.00 O ATOM 0 H SER A 21 12.423 -5.959 -5.861 1.00 0.00 H new ATOM 0 HA SER A 21 11.614 -4.267 -3.810 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.307 -2.113 -5.156 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.431 -2.821 -4.013 1.00 0.00 H new ATOM 0 HG SER A 21 14.518 -3.841 -5.760 1.00 0.00 H new ATOM 314 N ILE A 22 9.779 -3.471 -5.289 1.00 0.00 N ATOM 315 CA ILE A 22 8.565 -3.221 -6.045 1.00 0.00 C ATOM 316 C ILE A 22 8.300 -1.718 -5.963 1.00 0.00 C ATOM 317 O ILE A 22 8.405 -1.121 -4.882 1.00 0.00 O ATOM 318 CB ILE A 22 7.433 -4.152 -5.536 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.358 -4.357 -6.618 1.00 0.00 C ATOM 320 CG2 ILE A 22 6.784 -3.647 -4.239 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.290 -5.385 -6.218 1.00 0.00 C ATOM 0 H ILE A 22 9.745 -3.108 -4.337 1.00 0.00 H new ATOM 0 HA ILE A 22 8.643 -3.469 -7.104 1.00 0.00 H new ATOM 0 HB ILE A 22 7.904 -5.109 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 22 5.875 -3.403 -6.827 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.838 -4.681 -7.542 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.000 -4.339 -3.931 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.539 -3.583 -3.455 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.352 -2.661 -4.408 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.561 -5.484 -7.022 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.764 -6.350 -6.036 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.786 -5.052 -5.311 1.00 0.00 H new ATOM 333 N GLY A 23 8.019 -1.079 -7.094 1.00 0.00 N ATOM 334 CA GLY A 23 7.616 0.315 -7.155 1.00 0.00 C ATOM 335 C GLY A 23 6.100 0.415 -7.051 1.00 0.00 C ATOM 336 O GLY A 23 5.383 -0.525 -7.403 1.00 0.00 O ATOM 0 H GLY A 23 8.067 -1.527 -8.009 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.084 0.875 -6.345 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.957 0.762 -8.089 1.00 0.00 H new ATOM 340 N LEU A 24 5.605 1.568 -6.612 1.00 0.00 N ATOM 341 CA LEU A 24 4.187 1.861 -6.448 1.00 0.00 C ATOM 342 C LEU A 24 3.907 3.264 -6.962 1.00 0.00 C ATOM 343 O LEU A 24 4.509 4.221 -6.467 1.00 0.00 O ATOM 344 CB LEU A 24 3.780 1.819 -4.969 1.00 0.00 C ATOM 345 CG LEU A 24 3.195 0.487 -4.466 1.00 0.00 C ATOM 346 CD1 LEU A 24 3.423 0.219 -2.968 1.00 0.00 C ATOM 347 CD2 LEU A 24 1.679 0.545 -4.666 1.00 0.00 C ATOM 0 H LEU A 24 6.203 2.352 -6.351 1.00 0.00 H new ATOM 0 HA LEU A 24 3.622 1.111 -7.002 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.655 2.059 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.046 2.605 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 24 3.696 -0.303 -5.025 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.979 -0.739 -2.698 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.493 0.194 -2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.958 1.012 -2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.230 -0.386 -4.319 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.269 1.380 -4.097 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.457 0.683 -5.724 1.00 0.00 H new ATOM 359 N ARG A 25 2.918 3.419 -7.845 1.00 0.00 N ATOM 360 CA ARG A 25 2.274 4.704 -8.073 1.00 0.00 C ATOM 361 C ARG A 25 0.984 4.718 -7.269 1.00 0.00 C ATOM 362 O ARG A 25 0.336 3.684 -7.084 1.00 0.00 O ATOM 363 CB ARG A 25 1.909 4.906 -9.561 1.00 0.00 C ATOM 364 CG ARG A 25 3.100 4.839 -10.523 1.00 0.00 C ATOM 365 CD ARG A 25 2.717 5.046 -11.998 1.00 0.00 C ATOM 366 NE ARG A 25 2.568 6.465 -12.376 1.00 0.00 N ATOM 367 CZ ARG A 25 1.439 7.159 -12.587 1.00 0.00 C ATOM 368 NH1 ARG A 25 0.240 6.660 -12.312 1.00 0.00 N ATOM 369 NH2 ARG A 25 1.526 8.381 -13.096 1.00 0.00 N ATOM 0 H ARG A 25 2.547 2.660 -8.416 1.00 0.00 H new ATOM 0 HA ARG A 25 2.960 5.498 -7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.182 4.147 -9.850 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.421 5.874 -9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.830 5.596 -10.237 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.588 3.870 -10.416 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.478 4.588 -12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.781 4.525 -12.198 1.00 0.00 H new ATOM 0 HE ARG A 25 3.437 6.986 -12.492 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.155 5.719 -11.927 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.596 7.217 -12.486 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.439 8.777 -13.319 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.680 8.925 -13.264 1.00 0.00 H new ATOM 383 N TRP A 26 0.570 5.904 -6.861 1.00 0.00 N ATOM 384 CA TRP A 26 -0.827 6.256 -6.644 1.00 0.00 C ATOM 385 C TRP A 26 -0.946 7.761 -6.897 1.00 0.00 C ATOM 386 O TRP A 26 0.081 8.403 -7.127 1.00 0.00 O ATOM 387 CB TRP A 26 -1.268 5.822 -5.244 1.00 0.00 C ATOM 388 CG TRP A 26 -0.442 6.308 -4.090 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.611 7.470 -3.426 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.641 5.627 -3.393 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.317 7.589 -2.426 1.00 0.00 N ATOM 392 CE2 TRP A 26 1.105 6.473 -2.346 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.298 4.389 -3.540 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.170 6.134 -1.511 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.385 4.048 -2.712 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.844 4.922 -1.720 1.00 0.00 C ATOM 0 H TRP A 26 1.212 6.672 -6.665 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.500 5.736 -7.326 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.294 6.158 -5.092 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.282 4.732 -5.216 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.371 8.203 -3.651 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.409 8.404 -1.819 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.964 3.694 -4.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.472 6.797 -0.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.874 3.094 -2.845 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.707 4.666 -1.123 1.00 0.00 H new ATOM 407 N THR A 27 -2.137 8.366 -6.872 1.00 0.00 N ATOM 408 CA THR A 27 -2.169 9.822 -6.930 1.00 0.00 C ATOM 409 C THR A 27 -2.063 10.290 -5.481 1.00 0.00 C ATOM 410 O THR A 27 -2.745 9.728 -4.615 1.00 0.00 O ATOM 411 CB THR A 27 -3.470 10.263 -7.619 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.244 10.269 -9.012 1.00 0.00 O ATOM 413 CG2 THR A 27 -3.960 11.660 -7.236 1.00 0.00 C ATOM 0 H THR A 27 -3.042 7.899 -6.815 1.00 0.00 H new ATOM 0 HA THR A 27 -1.357 10.258 -7.512 1.00 0.00 H new ATOM 0 HB THR A 27 -4.237 9.558 -7.297 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.499 9.401 -9.389 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.883 11.882 -7.772 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.146 11.699 -6.163 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.201 12.397 -7.500 1.00 0.00 H new ATOM 421 N PRO A 28 -1.335 11.382 -5.196 1.00 0.00 N ATOM 422 CA PRO A 28 -1.383 11.971 -3.880 1.00 0.00 C ATOM 423 C PRO A 28 -2.677 12.789 -3.834 1.00 0.00 C ATOM 424 O PRO A 28 -2.884 13.691 -4.651 1.00 0.00 O ATOM 425 CB PRO A 28 -0.115 12.824 -3.776 1.00 0.00 C ATOM 426 CG PRO A 28 0.191 13.215 -5.222 1.00 0.00 C ATOM 427 CD PRO A 28 -0.392 12.077 -6.060 1.00 0.00 C ATOM 0 HA PRO A 28 -1.400 11.271 -3.045 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.276 13.702 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.707 12.263 -3.332 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.265 14.171 -5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.264 13.319 -5.386 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.890 12.463 -6.949 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.393 11.403 -6.402 1.00 0.00 H new ATOM 435 N LEU A 29 -3.542 12.497 -2.865 1.00 0.00 N ATOM 436 CA LEU A 29 -4.818 13.196 -2.722 1.00 0.00 C ATOM 437 C LEU A 29 -4.649 14.587 -2.095 1.00 0.00 C ATOM 438 O LEU A 29 -5.511 15.451 -2.253 1.00 0.00 O ATOM 439 CB LEU A 29 -5.838 12.358 -1.935 1.00 0.00 C ATOM 440 CG LEU A 29 -5.985 10.872 -2.337 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.617 9.938 -1.184 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.420 10.561 -2.772 1.00 0.00 C ATOM 0 H LEU A 29 -3.381 11.776 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.209 13.340 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.567 12.398 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.814 12.833 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.300 10.705 -3.168 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.732 8.902 -1.504 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.582 10.114 -0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.274 10.131 -0.336 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.496 9.510 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -8.103 10.769 -1.949 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.683 11.182 -3.628 1.00 0.00 H new ATOM 454 N ASN A 30 -3.521 14.825 -1.412 1.00 0.00 N ATOM 455 CA ASN A 30 -3.136 16.061 -0.723 1.00 0.00 C ATOM 456 C ASN A 30 -4.251 16.563 0.208 1.00 0.00 C ATOM 457 O ASN A 30 -4.417 17.768 0.408 1.00 0.00 O ATOM 458 CB ASN A 30 -2.658 17.132 -1.723 1.00 0.00 C ATOM 459 CG ASN A 30 -1.633 16.602 -2.726 1.00 0.00 C ATOM 460 OD1 ASN A 30 -0.484 16.315 -2.400 1.00 0.00 O ATOM 461 ND2 ASN A 30 -2.023 16.446 -3.978 1.00 0.00 N ATOM 0 H ASN A 30 -2.803 14.106 -1.321 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.285 15.837 -0.079 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.519 17.524 -2.265 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.221 17.965 -1.172 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.370 16.087 -4.675 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.977 16.684 -4.248 1.00 0.00 H new ATOM 468 N SER A 31 -5.036 15.635 0.769 1.00 0.00 N ATOM 469 CA SER A 31 -6.381 15.818 1.312 1.00 0.00 C ATOM 470 C SER A 31 -6.422 16.655 2.608 1.00 0.00 C ATOM 471 O SER A 31 -7.481 16.762 3.224 1.00 0.00 O ATOM 472 CB SER A 31 -6.932 14.420 1.594 1.00 0.00 C ATOM 473 OG SER A 31 -7.237 13.772 0.384 1.00 0.00 O ATOM 0 H SER A 31 -4.722 14.669 0.860 1.00 0.00 H new ATOM 0 HA SER A 31 -6.975 16.372 0.585 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.200 13.838 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.826 14.490 2.214 1.00 0.00 H new ATOM 0 HG SER A 31 -7.588 12.876 0.572 1.00 0.00 H new ATOM 479 N SER A 32 -5.297 17.226 3.058 1.00 0.00 N ATOM 480 CA SER A 32 -5.077 17.994 4.286 1.00 0.00 C ATOM 481 C SER A 32 -5.270 17.149 5.560 1.00 0.00 C ATOM 482 O SER A 32 -4.309 16.895 6.283 1.00 0.00 O ATOM 483 CB SER A 32 -5.842 19.337 4.237 1.00 0.00 C ATOM 484 OG SER A 32 -7.253 19.213 4.268 1.00 0.00 O ATOM 0 H SER A 32 -4.435 17.153 2.517 1.00 0.00 H new ATOM 0 HA SER A 32 -4.025 18.273 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.526 19.951 5.080 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.557 19.870 3.330 1.00 0.00 H new ATOM 0 HG SER A 32 -7.510 18.322 3.950 1.00 0.00 H new ATOM 490 N THR A 33 -6.488 16.660 5.786 1.00 0.00 N ATOM 491 CA THR A 33 -6.965 15.843 6.897 1.00 0.00 C ATOM 492 C THR A 33 -6.326 14.451 6.941 1.00 0.00 C ATOM 493 O THR A 33 -6.331 13.777 7.974 1.00 0.00 O ATOM 494 CB THR A 33 -8.493 15.771 6.729 1.00 0.00 C ATOM 495 OG1 THR A 33 -9.126 15.921 7.969 1.00 0.00 O ATOM 496 CG2 THR A 33 -9.058 14.523 6.041 1.00 0.00 C ATOM 0 H THR A 33 -7.242 16.847 5.125 1.00 0.00 H new ATOM 0 HA THR A 33 -6.683 16.291 7.850 1.00 0.00 H new ATOM 0 HB THR A 33 -8.708 16.595 6.048 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.097 15.875 7.848 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.144 14.598 5.986 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.648 14.446 5.034 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.784 13.637 6.613 1.00 0.00 H new ATOM 504 N ILE A 34 -5.802 14.005 5.802 1.00 0.00 N ATOM 505 CA ILE A 34 -4.942 12.851 5.685 1.00 0.00 C ATOM 506 C ILE A 34 -3.745 12.961 6.644 1.00 0.00 C ATOM 507 O ILE A 34 -3.298 14.061 6.974 1.00 0.00 O ATOM 508 CB ILE A 34 -4.590 12.657 4.196 1.00 0.00 C ATOM 509 CG1 ILE A 34 -3.975 11.271 3.968 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.801 13.858 3.655 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.545 10.946 2.537 1.00 0.00 C ATOM 0 H ILE A 34 -5.977 14.461 4.907 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.446 11.939 6.004 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.493 12.652 3.585 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.105 11.172 4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.698 10.520 4.287 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -3.566 13.695 2.603 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -4.400 14.763 3.757 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.876 13.970 4.220 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.126 9.940 2.503 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.410 11.002 1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.792 11.664 2.211 1.00 0.00 H new ATOM 523 N ILE A 35 -3.224 11.821 7.091 1.00 0.00 N ATOM 524 CA ILE A 35 -1.955 11.743 7.807 1.00 0.00 C ATOM 525 C ILE A 35 -0.895 11.308 6.802 1.00 0.00 C ATOM 526 O ILE A 35 0.041 12.054 6.524 1.00 0.00 O ATOM 527 CB ILE A 35 -2.091 10.777 8.997 1.00 0.00 C ATOM 528 CG1 ILE A 35 -3.117 11.313 10.021 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.753 10.539 9.707 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.323 10.387 10.122 1.00 0.00 C ATOM 0 H ILE A 35 -3.677 10.916 6.964 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.661 12.704 8.228 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.436 9.827 8.589 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.644 11.408 10.999 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.443 12.310 9.726 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.900 9.851 10.539 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.039 10.110 9.004 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.367 11.486 10.083 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.029 10.787 10.849 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.807 10.313 9.148 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.996 9.397 10.441 1.00 0.00 H new ATOM 542 N GLY A 36 -1.091 10.163 6.155 1.00 0.00 N ATOM 543 CA GLY A 36 -0.158 9.590 5.211 1.00 0.00 C ATOM 544 C GLY A 36 -0.729 8.309 4.632 1.00 0.00 C ATOM 545 O GLY A 36 -1.951 8.115 4.621 1.00 0.00 O ATOM 0 H GLY A 36 -1.930 9.598 6.282 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.046 10.302 4.411 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.792 9.384 5.705 1.00 0.00 H new ATOM 549 N TYR A 37 0.149 7.430 4.154 1.00 0.00 N ATOM 550 CA TYR A 37 -0.217 6.090 3.754 1.00 0.00 C ATOM 551 C TYR A 37 0.733 5.165 4.487 1.00 0.00 C ATOM 552 O TYR A 37 1.904 5.497 4.684 1.00 0.00 O ATOM 553 CB TYR A 37 -0.146 5.892 2.219 1.00 0.00 C ATOM 554 CG TYR A 37 -0.652 7.063 1.410 1.00 0.00 C ATOM 555 CD1 TYR A 37 -2.024 7.184 1.151 1.00 0.00 C ATOM 556 CD2 TYR A 37 0.234 8.064 0.977 1.00 0.00 C ATOM 557 CE1 TYR A 37 -2.522 8.309 0.483 1.00 0.00 C ATOM 558 CE2 TYR A 37 -0.256 9.196 0.303 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.637 9.327 0.075 1.00 0.00 C ATOM 560 OH TYR A 37 -2.117 10.478 -0.458 1.00 0.00 O ATOM 0 H TYR A 37 1.141 7.638 4.036 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.255 5.879 4.012 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.889 5.694 1.939 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -0.724 5.007 1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -2.701 6.405 1.469 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.293 7.963 1.162 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.579 8.396 0.281 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.425 9.961 -0.038 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.370 11.071 -0.683 1.00 0.00 H new ATOM 570 N ARG A 38 0.214 4.009 4.872 1.00 0.00 N ATOM 571 CA ARG A 38 0.951 2.941 5.509 1.00 0.00 C ATOM 572 C ARG A 38 0.933 1.807 4.508 1.00 0.00 C ATOM 573 O ARG A 38 -0.146 1.411 4.059 1.00 0.00 O ATOM 574 CB ARG A 38 0.292 2.625 6.861 1.00 0.00 C ATOM 575 CG ARG A 38 0.615 1.249 7.467 1.00 0.00 C ATOM 576 CD ARG A 38 -0.443 0.215 7.043 1.00 0.00 C ATOM 577 NE ARG A 38 -0.517 -0.927 7.963 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.205 -0.984 9.109 1.00 0.00 C ATOM 579 NH1 ARG A 38 -1.751 0.104 9.650 1.00 0.00 N ATOM 580 NH2 ARG A 38 -1.338 -2.150 9.721 1.00 0.00 N ATOM 0 H ARG A 38 -0.773 3.786 4.741 1.00 0.00 H new ATOM 0 HA ARG A 38 1.987 3.177 5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.590 3.393 7.575 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.789 2.702 6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.603 0.923 7.140 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.647 1.322 8.554 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.418 0.699 6.991 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.212 -0.145 6.040 1.00 0.00 H new ATOM 0 HE ARG A 38 0.009 -1.761 7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.649 1.008 9.189 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.271 0.033 10.525 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.919 -2.988 9.318 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.860 -2.210 10.596 1.00 0.00 H new ATOM 594 N ILE A 39 2.103 1.316 4.129 1.00 0.00 N ATOM 595 CA ILE A 39 2.218 0.087 3.365 1.00 0.00 C ATOM 596 C ILE A 39 2.428 -1.022 4.387 1.00 0.00 C ATOM 597 O ILE A 39 2.810 -0.790 5.534 1.00 0.00 O ATOM 598 CB ILE A 39 3.297 0.233 2.259 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.726 1.125 1.131 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.727 -1.103 1.625 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.945 2.629 1.326 1.00 0.00 C ATOM 0 H ILE A 39 2.997 1.759 4.343 1.00 0.00 H new ATOM 0 HA ILE A 39 1.326 -0.164 2.791 1.00 0.00 H new ATOM 0 HB ILE A 39 4.176 0.664 2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 39 3.180 0.826 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.656 0.936 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.483 -0.917 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.141 -1.754 2.395 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.862 -1.584 1.169 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.511 3.172 0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.466 2.949 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.014 2.837 1.379 1.00 0.00 H new ATOM 613 N THR A 40 2.085 -2.238 4.011 1.00 0.00 N ATOM 614 CA THR A 40 2.380 -3.450 4.731 1.00 0.00 C ATOM 615 C THR A 40 2.622 -4.496 3.654 1.00 0.00 C ATOM 616 O THR A 40 1.961 -4.525 2.616 1.00 0.00 O ATOM 617 CB THR A 40 1.203 -3.741 5.671 1.00 0.00 C ATOM 618 OG1 THR A 40 1.257 -2.788 6.713 1.00 0.00 O ATOM 619 CG2 THR A 40 1.257 -5.129 6.318 1.00 0.00 C ATOM 0 H THR A 40 1.566 -2.411 3.150 1.00 0.00 H new ATOM 0 HA THR A 40 3.259 -3.411 5.375 1.00 0.00 H new ATOM 0 HB THR A 40 0.290 -3.696 5.077 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.852 -2.054 6.454 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.392 -5.261 6.968 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.247 -5.893 5.541 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.170 -5.221 6.906 1.00 0.00 H new ATOM 627 N VAL A 41 3.572 -5.380 3.909 1.00 0.00 N ATOM 628 CA VAL A 41 3.785 -6.564 3.106 1.00 0.00 C ATOM 629 C VAL A 41 3.734 -7.754 4.019 1.00 0.00 C ATOM 630 O VAL A 41 4.253 -7.733 5.142 1.00 0.00 O ATOM 631 CB VAL A 41 5.054 -6.533 2.231 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.673 -6.602 0.758 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.879 -5.242 2.386 1.00 0.00 C ATOM 0 H VAL A 41 4.223 -5.291 4.689 1.00 0.00 H new ATOM 0 HA VAL A 41 2.987 -6.621 2.365 1.00 0.00 H new ATOM 0 HB VAL A 41 5.647 -7.386 2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.576 -6.580 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.128 -7.526 0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.042 -5.750 0.505 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.756 -5.291 1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.269 -4.384 2.104 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.197 -5.136 3.423 1.00 0.00 H new ATOM 643 N VAL A 42 3.066 -8.778 3.514 1.00 0.00 N ATOM 644 CA VAL A 42 3.005 -10.059 4.165 1.00 0.00 C ATOM 645 C VAL A 42 3.345 -11.093 3.090 1.00 0.00 C ATOM 646 O VAL A 42 3.185 -10.821 1.895 1.00 0.00 O ATOM 647 CB VAL A 42 1.610 -10.235 4.828 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.015 -8.961 5.467 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.598 -10.729 3.808 1.00 0.00 C ATOM 0 H VAL A 42 2.550 -8.735 2.635 1.00 0.00 H new ATOM 0 HA VAL A 42 3.716 -10.173 4.984 1.00 0.00 H new ATOM 0 HB VAL A 42 1.790 -10.952 5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.042 -9.192 5.901 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.684 -8.599 6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.899 -8.192 4.704 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.374 -10.847 4.287 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.517 -10.006 2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.924 -11.689 3.407 1.00 0.00 H new ATOM 659 N ALA A 43 3.680 -12.304 3.515 1.00 0.00 N ATOM 660 CA ALA A 43 3.758 -13.448 2.632 1.00 0.00 C ATOM 661 C ALA A 43 2.342 -13.996 2.518 1.00 0.00 C ATOM 662 O ALA A 43 1.769 -14.457 3.516 1.00 0.00 O ATOM 663 CB ALA A 43 4.718 -14.493 3.209 1.00 0.00 C ATOM 0 H ALA A 43 3.905 -12.516 4.487 1.00 0.00 H new ATOM 0 HA ALA A 43 4.143 -13.177 1.649 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.770 -15.350 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.711 -14.055 3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.358 -14.818 4.185 1.00 0.00 H new ATOM 669 N ALA A 44 1.761 -13.915 1.321 1.00 0.00 N ATOM 670 CA ALA A 44 0.502 -14.566 1.016 1.00 0.00 C ATOM 671 C ALA A 44 0.664 -16.051 1.329 1.00 0.00 C ATOM 672 O ALA A 44 1.710 -16.646 1.060 1.00 0.00 O ATOM 673 CB ALA A 44 0.116 -14.348 -0.450 1.00 0.00 C ATOM 0 H ALA A 44 2.157 -13.393 0.539 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.301 -14.142 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.832 -14.846 -0.655 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.015 -13.280 -0.645 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.890 -14.763 -1.096 1.00 0.00 H new ATOM 679 N GLY A 45 -0.357 -16.646 1.933 1.00 0.00 N ATOM 680 CA GLY A 45 -0.394 -18.059 2.274 1.00 0.00 C ATOM 681 C GLY A 45 -0.563 -18.266 3.765 1.00 0.00 C ATOM 682 O GLY A 45 -1.477 -18.973 4.196 1.00 0.00 O ATOM 0 H GLY A 45 -1.203 -16.145 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.215 -18.541 1.743 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.526 -18.539 1.941 1.00 0.00 H new ATOM 686 N GLU A 46 0.199 -17.535 4.571 1.00 0.00 N ATOM 687 CA GLU A 46 -0.043 -17.454 6.006 1.00 0.00 C ATOM 688 C GLU A 46 -0.541 -16.051 6.366 1.00 0.00 C ATOM 689 O GLU A 46 -1.311 -15.879 7.311 1.00 0.00 O ATOM 690 CB GLU A 46 1.235 -17.862 6.743 1.00 0.00 C ATOM 691 CG GLU A 46 0.990 -18.241 8.211 1.00 0.00 C ATOM 692 CD GLU A 46 0.474 -19.666 8.369 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.741 -19.902 8.177 1.00 0.00 O ATOM 694 OE2 GLU A 46 1.285 -20.570 8.678 1.00 0.00 O ATOM 0 H GLU A 46 0.996 -16.986 4.251 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.828 -18.144 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.690 -18.707 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.950 -17.040 6.701 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.919 -18.130 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.271 -17.547 8.646 1.00 0.00 H new ATOM 701 N GLY A 47 -0.186 -15.035 5.576 1.00 0.00 N ATOM 702 CA GLY A 47 -0.428 -13.645 5.929 1.00 0.00 C ATOM 703 C GLY A 47 0.544 -13.169 7.011 1.00 0.00 C ATOM 704 O GLY A 47 0.315 -12.116 7.595 1.00 0.00 O ATOM 0 H GLY A 47 0.277 -15.159 4.675 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.324 -13.019 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.453 -13.530 6.282 1.00 0.00 H new ATOM 708 N ILE A 48 1.610 -13.942 7.269 1.00 0.00 N ATOM 709 CA ILE A 48 2.815 -13.596 8.016 1.00 0.00 C ATOM 710 C ILE A 48 3.247 -12.179 7.618 1.00 0.00 C ATOM 711 O ILE A 48 3.687 -12.015 6.478 1.00 0.00 O ATOM 712 CB ILE A 48 3.870 -14.703 7.741 1.00 0.00 C ATOM 713 CG1 ILE A 48 3.630 -15.851 8.733 1.00 0.00 C ATOM 714 CG2 ILE A 48 5.323 -14.230 7.815 1.00 0.00 C ATOM 715 CD1 ILE A 48 4.510 -17.092 8.506 1.00 0.00 C ATOM 0 H ILE A 48 1.648 -14.903 6.930 1.00 0.00 H new ATOM 0 HA ILE A 48 2.662 -13.567 9.095 1.00 0.00 H new ATOM 0 HB ILE A 48 3.734 -15.028 6.709 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.801 -15.481 9.744 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.583 -16.149 8.676 1.00 0.00 H new ATOM 0 HG21 ILE A 48 5.989 -15.068 7.610 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.488 -13.446 7.076 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.528 -13.839 8.812 1.00 0.00 H new ATOM 0 HD11 ILE A 48 4.271 -17.849 9.253 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.323 -17.493 7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.560 -16.814 8.594 1.00 0.00 H new ATOM 727 N PRO A 49 3.044 -11.156 8.467 1.00 0.00 N ATOM 728 CA PRO A 49 3.361 -9.783 8.139 1.00 0.00 C ATOM 729 C PRO A 49 4.834 -9.520 8.434 1.00 0.00 C ATOM 730 O PRO A 49 5.319 -9.780 9.539 1.00 0.00 O ATOM 731 CB PRO A 49 2.410 -8.944 8.991 1.00 0.00 C ATOM 732 CG PRO A 49 2.235 -9.779 10.258 1.00 0.00 C ATOM 733 CD PRO A 49 2.456 -11.223 9.795 1.00 0.00 C ATOM 0 HA PRO A 49 3.227 -9.538 7.085 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.829 -7.962 9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 49 1.459 -8.778 8.485 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.955 -9.493 11.025 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.242 -9.647 10.687 1.00 0.00 H new ATOM 0 HD2 PRO A 49 3.115 -11.752 10.483 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.513 -11.770 9.773 1.00 0.00 H new ATOM 741 N ILE A 50 5.539 -8.999 7.433 1.00 0.00 N ATOM 742 CA ILE A 50 6.972 -8.777 7.496 1.00 0.00 C ATOM 743 C ILE A 50 7.172 -7.419 8.180 1.00 0.00 C ATOM 744 O ILE A 50 7.584 -7.379 9.343 1.00 0.00 O ATOM 745 CB ILE A 50 7.590 -8.930 6.082 1.00 0.00 C ATOM 746 CG1 ILE A 50 7.824 -10.406 5.673 1.00 0.00 C ATOM 747 CG2 ILE A 50 8.958 -8.253 5.989 1.00 0.00 C ATOM 748 CD1 ILE A 50 6.556 -11.223 5.456 1.00 0.00 C ATOM 0 H ILE A 50 5.121 -8.717 6.546 1.00 0.00 H new ATOM 0 HA ILE A 50 7.507 -9.517 8.091 1.00 0.00 H new ATOM 0 HB ILE A 50 6.860 -8.466 5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.411 -10.424 4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.423 -10.890 6.444 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.360 -8.381 4.984 1.00 0.00 H new ATOM 0 HG22 ILE A 50 8.853 -7.190 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 50 9.637 -8.705 6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.823 -12.241 5.173 1.00 0.00 H new ATOM 0 HD12 ILE A 50 5.974 -11.243 6.377 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.963 -10.770 4.662 1.00 0.00 H new ATOM 760 N PHE A 51 6.841 -6.306 7.515 1.00 0.00 N ATOM 761 CA PHE A 51 6.945 -4.969 8.091 1.00 0.00 C ATOM 762 C PHE A 51 5.825 -4.078 7.563 1.00 0.00 C ATOM 763 O PHE A 51 5.210 -4.383 6.535 1.00 0.00 O ATOM 764 CB PHE A 51 8.345 -4.357 7.837 1.00 0.00 C ATOM 765 CG PHE A 51 8.568 -3.532 6.572 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.405 -4.090 5.288 1.00 0.00 C ATOM 767 CD2 PHE A 51 8.993 -2.192 6.679 1.00 0.00 C ATOM 768 CE1 PHE A 51 8.633 -3.311 4.137 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.237 -1.421 5.529 1.00 0.00 C ATOM 770 CZ PHE A 51 9.041 -1.970 4.251 1.00 0.00 C ATOM 0 H PHE A 51 6.492 -6.312 6.557 1.00 0.00 H new ATOM 0 HA PHE A 51 6.827 -5.044 9.172 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.589 -3.725 8.691 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.066 -5.174 7.830 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.103 -5.122 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.133 -1.753 7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.493 -3.747 3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 51 9.577 -0.401 5.629 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.202 -1.370 3.367 1.00 0.00 H new ATOM 780 N GLU A 52 5.616 -2.952 8.239 1.00 0.00 N ATOM 781 CA GLU A 52 4.792 -1.838 7.802 1.00 0.00 C ATOM 782 C GLU A 52 5.743 -0.671 7.564 1.00 0.00 C ATOM 783 O GLU A 52 6.578 -0.380 8.425 1.00 0.00 O ATOM 784 CB GLU A 52 3.630 -1.559 8.783 1.00 0.00 C ATOM 785 CG GLU A 52 3.950 -1.404 10.284 1.00 0.00 C ATOM 786 CD GLU A 52 4.044 0.044 10.779 1.00 0.00 C ATOM 787 OE1 GLU A 52 3.003 0.733 10.803 1.00 0.00 O ATOM 788 OE2 GLU A 52 5.116 0.459 11.288 1.00 0.00 O ATOM 0 H GLU A 52 6.040 -2.787 9.152 1.00 0.00 H new ATOM 0 HA GLU A 52 4.267 -2.052 6.871 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.132 -0.646 8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.909 -2.370 8.681 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.181 -1.920 10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.895 -1.906 10.493 1.00 0.00 H new ATOM 795 N ASP A 53 5.676 -0.088 6.371 1.00 0.00 N ATOM 796 CA ASP A 53 6.434 1.089 5.949 1.00 0.00 C ATOM 797 C ASP A 53 5.486 2.283 5.953 1.00 0.00 C ATOM 798 O ASP A 53 4.260 2.113 5.880 1.00 0.00 O ATOM 799 CB ASP A 53 6.976 0.894 4.524 1.00 0.00 C ATOM 800 CG ASP A 53 8.241 1.704 4.182 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.657 2.586 4.960 1.00 0.00 O ATOM 802 OD2 ASP A 53 8.833 1.427 3.108 1.00 0.00 O ATOM 0 H ASP A 53 5.063 -0.439 5.636 1.00 0.00 H new ATOM 0 HA ASP A 53 7.273 1.247 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.192 -0.164 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.192 1.161 3.815 1.00 0.00 H new ATOM 807 N PHE A 54 6.036 3.489 5.944 1.00 0.00 N ATOM 808 CA PHE A 54 5.277 4.720 5.832 1.00 0.00 C ATOM 809 C PHE A 54 5.799 5.534 4.664 1.00 0.00 C ATOM 810 O PHE A 54 6.922 5.336 4.193 1.00 0.00 O ATOM 811 CB PHE A 54 5.366 5.506 7.147 1.00 0.00 C ATOM 812 CG PHE A 54 4.010 5.656 7.784 1.00 0.00 C ATOM 813 CD1 PHE A 54 3.514 4.628 8.605 1.00 0.00 C ATOM 814 CD2 PHE A 54 3.225 6.791 7.510 1.00 0.00 C ATOM 815 CE1 PHE A 54 2.240 4.749 9.180 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.947 6.909 8.078 1.00 0.00 C ATOM 817 CZ PHE A 54 1.460 5.887 8.911 1.00 0.00 C ATOM 0 H PHE A 54 7.042 3.639 6.016 1.00 0.00 H new ATOM 0 HA PHE A 54 4.227 4.493 5.646 1.00 0.00 H new ATOM 0 HB2 PHE A 54 6.039 4.994 7.835 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.793 6.491 6.957 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.112 3.748 8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.605 7.569 6.864 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.860 3.971 9.826 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.341 7.780 7.876 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.477 5.977 9.349 1.00 0.00 H new ATOM 827 N VAL A 55 4.985 6.476 4.199 1.00 0.00 N ATOM 828 CA VAL A 55 5.385 7.444 3.202 1.00 0.00 C ATOM 829 C VAL A 55 5.099 8.836 3.761 1.00 0.00 C ATOM 830 O VAL A 55 4.596 8.963 4.878 1.00 0.00 O ATOM 831 CB VAL A 55 4.706 7.094 1.857 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.729 6.460 0.913 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.503 6.145 1.977 1.00 0.00 C ATOM 0 H VAL A 55 4.020 6.584 4.512 1.00 0.00 H new ATOM 0 HA VAL A 55 6.452 7.425 2.982 1.00 0.00 H new ATOM 0 HB VAL A 55 4.325 8.039 1.469 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.247 6.215 -0.034 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.543 7.162 0.735 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.126 5.551 1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.090 5.955 0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.825 5.204 2.423 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.740 6.603 2.607 1.00 0.00 H new ATOM 843 N ASP A 56 5.327 9.887 2.969 1.00 0.00 N ATOM 844 CA ASP A 56 5.360 11.259 3.479 1.00 0.00 C ATOM 845 C ASP A 56 3.991 11.792 3.933 1.00 0.00 C ATOM 846 O ASP A 56 3.724 11.865 5.128 1.00 0.00 O ATOM 847 CB ASP A 56 6.028 12.185 2.451 1.00 0.00 C ATOM 848 CG ASP A 56 6.745 13.349 3.138 1.00 0.00 C ATOM 849 OD1 ASP A 56 6.315 13.772 4.235 1.00 0.00 O ATOM 850 OD2 ASP A 56 7.773 13.799 2.585 1.00 0.00 O ATOM 0 H ASP A 56 5.492 9.812 1.965 1.00 0.00 H new ATOM 0 HA ASP A 56 5.962 11.244 4.388 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.741 11.616 1.855 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.276 12.572 1.764 1.00 0.00 H new ATOM 855 N SER A 57 3.088 12.067 2.982 1.00 0.00 N ATOM 856 CA SER A 57 1.805 12.774 3.032 1.00 0.00 C ATOM 857 C SER A 57 1.471 13.351 1.642 1.00 0.00 C ATOM 858 O SER A 57 0.286 13.513 1.338 1.00 0.00 O ATOM 859 CB SER A 57 1.816 13.843 4.157 1.00 0.00 C ATOM 860 OG SER A 57 0.665 14.672 4.234 1.00 0.00 O ATOM 0 H SER A 57 3.269 11.754 2.028 1.00 0.00 H new ATOM 0 HA SER A 57 1.006 12.077 3.285 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.939 13.335 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.690 14.479 4.019 1.00 0.00 H new ATOM 0 HG SER A 57 0.769 15.308 4.972 1.00 0.00 H new ATOM 866 N SER A 58 2.443 13.565 0.747 1.00 0.00 N ATOM 867 CA SER A 58 2.196 13.925 -0.654 1.00 0.00 C ATOM 868 C SER A 58 3.070 13.129 -1.631 1.00 0.00 C ATOM 869 O SER A 58 3.267 13.538 -2.779 1.00 0.00 O ATOM 870 CB SER A 58 2.268 15.446 -0.832 1.00 0.00 C ATOM 871 OG SER A 58 3.568 15.932 -0.565 1.00 0.00 O ATOM 0 H SER A 58 3.434 13.492 0.978 1.00 0.00 H new ATOM 0 HA SER A 58 1.180 13.630 -0.915 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.981 15.709 -1.850 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.553 15.927 -0.164 1.00 0.00 H new ATOM 0 HG SER A 58 3.585 16.904 -0.688 1.00 0.00 H new ATOM 877 N VAL A 59 3.600 11.985 -1.192 1.00 0.00 N ATOM 878 CA VAL A 59 4.261 11.045 -2.092 1.00 0.00 C ATOM 879 C VAL A 59 3.170 10.329 -2.894 1.00 0.00 C ATOM 880 O VAL A 59 2.224 9.805 -2.298 1.00 0.00 O ATOM 881 CB VAL A 59 5.192 10.099 -1.291 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.414 8.737 -1.955 1.00 0.00 C ATOM 883 CG2 VAL A 59 6.561 10.762 -1.092 1.00 0.00 C ATOM 0 H VAL A 59 3.583 11.689 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 59 4.918 11.549 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 59 4.687 9.922 -0.342 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.076 8.133 -1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.457 8.227 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 59 5.867 8.880 -2.936 1.00 0.00 H new ATOM 0 HG21 VAL A 59 7.211 10.093 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.009 10.970 -2.064 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.437 11.695 -0.542 1.00 0.00 H new ATOM 893 N GLY A 60 3.331 10.321 -4.225 1.00 0.00 N ATOM 894 CA GLY A 60 2.548 9.571 -5.208 1.00 0.00 C ATOM 895 C GLY A 60 3.412 8.608 -6.045 1.00 0.00 C ATOM 896 O GLY A 60 2.912 7.952 -6.961 1.00 0.00 O ATOM 0 H GLY A 60 4.062 10.877 -4.669 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.773 9.003 -4.693 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.042 10.270 -5.873 1.00 0.00 H new ATOM 900 N TYR A 61 4.719 8.520 -5.759 1.00 0.00 N ATOM 901 CA TYR A 61 5.582 7.453 -6.270 1.00 0.00 C ATOM 902 C TYR A 61 6.520 6.992 -5.161 1.00 0.00 C ATOM 903 O TYR A 61 7.216 7.830 -4.572 1.00 0.00 O ATOM 904 CB TYR A 61 6.395 7.899 -7.489 1.00 0.00 C ATOM 905 CG TYR A 61 7.050 6.729 -8.197 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.214 6.124 -7.688 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.436 6.188 -9.334 1.00 0.00 C ATOM 908 CE1 TYR A 61 8.735 4.963 -8.283 1.00 0.00 C ATOM 909 CE2 TYR A 61 6.954 5.035 -9.941 1.00 0.00 C ATOM 910 CZ TYR A 61 8.109 4.411 -9.418 1.00 0.00 C ATOM 911 OH TYR A 61 8.641 3.314 -10.027 1.00 0.00 O ATOM 0 H TYR A 61 5.206 9.191 -5.164 1.00 0.00 H new ATOM 0 HA TYR A 61 4.943 6.630 -6.592 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.743 8.425 -8.186 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.162 8.607 -7.174 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.711 6.556 -6.832 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.558 6.662 -9.746 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.616 4.493 -7.870 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.468 4.622 -10.812 1.00 0.00 H new ATOM 0 HH TYR A 61 9.109 2.766 -9.363 1.00 0.00 H new ATOM 921 N TYR A 62 6.568 5.691 -4.893 1.00 0.00 N ATOM 922 CA TYR A 62 7.281 5.071 -3.775 1.00 0.00 C ATOM 923 C TYR A 62 7.907 3.745 -4.240 1.00 0.00 C ATOM 924 O TYR A 62 7.515 3.224 -5.285 1.00 0.00 O ATOM 925 CB TYR A 62 6.295 4.951 -2.607 1.00 0.00 C ATOM 926 CG TYR A 62 6.563 3.904 -1.546 1.00 0.00 C ATOM 927 CD1 TYR A 62 7.538 4.077 -0.542 1.00 0.00 C ATOM 928 CD2 TYR A 62 5.755 2.759 -1.535 1.00 0.00 C ATOM 929 CE1 TYR A 62 7.684 3.113 0.472 1.00 0.00 C ATOM 930 CE2 TYR A 62 5.892 1.800 -0.534 1.00 0.00 C ATOM 931 CZ TYR A 62 6.867 1.959 0.465 1.00 0.00 C ATOM 932 OH TYR A 62 6.995 0.973 1.382 1.00 0.00 O ATOM 0 H TYR A 62 6.089 5.005 -5.476 1.00 0.00 H new ATOM 0 HA TYR A 62 8.120 5.670 -3.422 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.246 5.921 -2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.307 4.756 -3.024 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.173 4.950 -0.552 1.00 0.00 H new ATOM 0 HD2 TYR A 62 5.018 2.619 -2.312 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.417 3.254 1.253 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.248 0.933 -0.526 1.00 0.00 H new ATOM 0 HH TYR A 62 7.903 0.985 1.750 1.00 0.00 H new ATOM 942 N THR A 63 8.851 3.201 -3.466 1.00 0.00 N ATOM 943 CA THR A 63 9.481 1.901 -3.682 1.00 0.00 C ATOM 944 C THR A 63 9.500 1.165 -2.332 1.00 0.00 C ATOM 945 O THR A 63 9.843 1.768 -1.312 1.00 0.00 O ATOM 946 CB THR A 63 10.904 2.091 -4.242 1.00 0.00 C ATOM 947 OG1 THR A 63 10.904 2.834 -5.445 1.00 0.00 O ATOM 948 CG2 THR A 63 11.595 0.758 -4.547 1.00 0.00 C ATOM 0 H THR A 63 9.210 3.677 -2.638 1.00 0.00 H new ATOM 0 HA THR A 63 8.925 1.312 -4.412 1.00 0.00 H new ATOM 0 HB THR A 63 11.443 2.625 -3.459 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.824 2.934 -5.767 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.594 0.947 -4.939 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.669 0.169 -3.633 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.014 0.208 -5.287 1.00 0.00 H new ATOM 956 N VAL A 64 9.154 -0.130 -2.297 1.00 0.00 N ATOM 957 CA VAL A 64 9.442 -1.008 -1.170 1.00 0.00 C ATOM 958 C VAL A 64 10.682 -1.817 -1.550 1.00 0.00 C ATOM 959 O VAL A 64 10.900 -2.081 -2.737 1.00 0.00 O ATOM 960 CB VAL A 64 8.283 -1.987 -0.877 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.233 -2.274 0.631 1.00 0.00 C ATOM 962 CG2 VAL A 64 6.873 -1.559 -1.298 1.00 0.00 C ATOM 0 H VAL A 64 8.662 -0.595 -3.060 1.00 0.00 H new ATOM 0 HA VAL A 64 9.589 -0.405 -0.274 1.00 0.00 H new ATOM 0 HB VAL A 64 8.524 -2.853 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.417 -2.964 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.176 -2.719 0.948 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.071 -1.343 1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.161 -2.340 -1.032 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.605 -0.634 -0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.848 -1.398 -2.376 1.00 0.00 H new ATOM 972 N THR A 65 11.424 -2.303 -0.561 1.00 0.00 N ATOM 973 CA THR A 65 12.631 -3.094 -0.759 1.00 0.00 C ATOM 974 C THR A 65 12.641 -4.271 0.223 1.00 0.00 C ATOM 975 O THR A 65 11.846 -4.304 1.165 1.00 0.00 O ATOM 976 CB THR A 65 13.880 -2.202 -0.532 1.00 0.00 C ATOM 977 OG1 THR A 65 13.572 -0.869 -0.139 1.00 0.00 O ATOM 978 CG2 THR A 65 14.748 -2.199 -1.779 1.00 0.00 C ATOM 0 H THR A 65 11.197 -2.154 0.422 1.00 0.00 H new ATOM 0 HA THR A 65 12.650 -3.481 -1.778 1.00 0.00 H new ATOM 0 HB THR A 65 14.424 -2.642 0.304 1.00 0.00 H new ATOM 0 HG1 THR A 65 14.403 -0.365 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 65 15.623 -1.571 -1.612 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.069 -3.217 -2.001 1.00 0.00 H new ATOM 0 HG23 THR A 65 14.175 -1.808 -2.620 1.00 0.00 H new ATOM 986 N GLY A 66 13.566 -5.219 0.055 1.00 0.00 N ATOM 987 CA GLY A 66 13.685 -6.363 0.955 1.00 0.00 C ATOM 988 C GLY A 66 12.666 -7.436 0.641 1.00 0.00 C ATOM 989 O GLY A 66 12.251 -8.180 1.530 1.00 0.00 O ATOM 0 H GLY A 66 14.248 -5.214 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.688 -6.782 0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.556 -6.030 1.985 1.00 0.00 H new ATOM 993 N LEU A 67 12.272 -7.485 -0.626 1.00 0.00 N ATOM 994 CA LEU A 67 11.345 -8.397 -1.246 1.00 0.00 C ATOM 995 C LEU A 67 11.935 -9.796 -1.094 1.00 0.00 C ATOM 996 O LEU A 67 13.151 -9.952 -0.923 1.00 0.00 O ATOM 997 CB LEU A 67 11.279 -7.984 -2.723 1.00 0.00 C ATOM 998 CG LEU A 67 10.168 -6.976 -3.077 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.747 -7.492 -2.924 1.00 0.00 C ATOM 1000 CD2 LEU A 67 10.295 -5.720 -2.204 1.00 0.00 C ATOM 0 H LEU A 67 12.636 -6.816 -1.304 1.00 0.00 H new ATOM 0 HA LEU A 67 10.347 -8.382 -0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 67 12.240 -7.554 -3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 67 11.140 -8.880 -3.328 1.00 0.00 H new ATOM 0 HG LEU A 67 10.323 -6.770 -4.136 1.00 0.00 H new ATOM 0 HD11 LEU A 67 8.043 -6.706 -3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.601 -8.353 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.577 -7.787 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.505 -5.015 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.204 -5.996 -1.154 1.00 0.00 H new ATOM 0 HD23 LEU A 67 11.266 -5.255 -2.374 1.00 0.00 H new ATOM 1012 N GLU A 68 11.070 -10.799 -1.178 1.00 0.00 N ATOM 1013 CA GLU A 68 11.348 -12.194 -0.884 1.00 0.00 C ATOM 1014 C GLU A 68 11.056 -13.043 -2.127 1.00 0.00 C ATOM 1015 O GLU A 68 9.973 -13.624 -2.260 1.00 0.00 O ATOM 1016 CB GLU A 68 10.565 -12.626 0.376 1.00 0.00 C ATOM 1017 CG GLU A 68 11.464 -13.172 1.482 1.00 0.00 C ATOM 1018 CD GLU A 68 11.894 -14.619 1.257 1.00 0.00 C ATOM 1019 OE1 GLU A 68 12.954 -14.848 0.633 1.00 0.00 O ATOM 1020 OE2 GLU A 68 11.250 -15.539 1.821 1.00 0.00 O ATOM 0 H GLU A 68 10.104 -10.650 -1.469 1.00 0.00 H new ATOM 0 HA GLU A 68 12.402 -12.345 -0.650 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.005 -11.773 0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 68 9.836 -13.387 0.100 1.00 0.00 H new ATOM 0 HG2 GLU A 68 12.352 -12.545 1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 68 10.939 -13.101 2.435 1.00 0.00 H new ATOM 1027 N PRO A 69 12.004 -13.077 -3.077 1.00 0.00 N ATOM 1028 CA PRO A 69 11.764 -13.660 -4.374 1.00 0.00 C ATOM 1029 C PRO A 69 11.631 -15.165 -4.214 1.00 0.00 C ATOM 1030 O PRO A 69 12.531 -15.835 -3.696 1.00 0.00 O ATOM 1031 CB PRO A 69 12.932 -13.234 -5.262 1.00 0.00 C ATOM 1032 CG PRO A 69 14.073 -13.058 -4.263 1.00 0.00 C ATOM 1033 CD PRO A 69 13.379 -12.627 -2.966 1.00 0.00 C ATOM 0 HA PRO A 69 10.838 -13.322 -4.839 1.00 0.00 H new ATOM 0 HB2 PRO A 69 13.165 -13.989 -6.013 1.00 0.00 H new ATOM 0 HB3 PRO A 69 12.717 -12.309 -5.797 1.00 0.00 H new ATOM 0 HG2 PRO A 69 14.629 -13.986 -4.127 1.00 0.00 H new ATOM 0 HG3 PRO A 69 14.786 -12.306 -4.602 1.00 0.00 H new ATOM 0 HD2 PRO A 69 13.866 -13.071 -2.098 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.426 -11.545 -2.840 1.00 0.00 H new ATOM 1041 N GLY A 70 10.516 -15.712 -4.685 1.00 0.00 N ATOM 1042 CA GLY A 70 10.172 -17.108 -4.552 1.00 0.00 C ATOM 1043 C GLY A 70 8.781 -17.338 -3.979 1.00 0.00 C ATOM 1044 O GLY A 70 8.179 -18.374 -4.272 1.00 0.00 O ATOM 0 H GLY A 70 9.809 -15.172 -5.185 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.237 -17.585 -5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.906 -17.595 -3.910 1.00 0.00 H new ATOM 1048 N ILE A 71 8.264 -16.396 -3.192 1.00 0.00 N ATOM 1049 CA ILE A 71 6.977 -16.467 -2.506 1.00 0.00 C ATOM 1050 C ILE A 71 6.037 -15.448 -3.190 1.00 0.00 C ATOM 1051 O ILE A 71 6.442 -14.698 -4.081 1.00 0.00 O ATOM 1052 CB ILE A 71 7.211 -16.352 -0.969 1.00 0.00 C ATOM 1053 CG1 ILE A 71 7.752 -17.655 -0.319 1.00 0.00 C ATOM 1054 CG2 ILE A 71 5.949 -16.028 -0.148 1.00 0.00 C ATOM 1055 CD1 ILE A 71 9.139 -18.135 -0.753 1.00 0.00 C ATOM 0 H ILE A 71 8.755 -15.521 -3.007 1.00 0.00 H new ATOM 0 HA ILE A 71 6.460 -17.422 -2.596 1.00 0.00 H new ATOM 0 HB ILE A 71 7.933 -15.536 -0.929 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.768 -17.511 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.040 -18.454 -0.523 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.208 -15.968 0.909 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.537 -15.074 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.208 -16.813 -0.295 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.389 -19.053 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.139 -18.326 -1.826 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.878 -17.368 -0.521 1.00 0.00 H new ATOM 1067 N ASP A 72 4.742 -15.547 -2.898 1.00 0.00 N ATOM 1068 CA ASP A 72 3.693 -14.601 -3.293 1.00 0.00 C ATOM 1069 C ASP A 72 3.481 -13.649 -2.125 1.00 0.00 C ATOM 1070 O ASP A 72 3.310 -14.118 -1.001 1.00 0.00 O ATOM 1071 CB ASP A 72 2.409 -15.372 -3.634 1.00 0.00 C ATOM 1072 CG ASP A 72 1.231 -14.517 -4.128 1.00 0.00 C ATOM 1073 OD1 ASP A 72 1.325 -13.279 -4.262 1.00 0.00 O ATOM 1074 OD2 ASP A 72 0.191 -15.148 -4.446 1.00 0.00 O ATOM 0 H ASP A 72 4.374 -16.327 -2.353 1.00 0.00 H new ATOM 0 HA ASP A 72 3.976 -14.034 -4.180 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.643 -16.112 -4.399 1.00 0.00 H new ATOM 0 HB3 ASP A 72 2.090 -15.920 -2.748 1.00 0.00 H new ATOM 1079 N TYR A 73 3.564 -12.341 -2.349 1.00 0.00 N ATOM 1080 CA TYR A 73 3.454 -11.331 -1.298 1.00 0.00 C ATOM 1081 C TYR A 73 2.205 -10.486 -1.540 1.00 0.00 C ATOM 1082 O TYR A 73 2.036 -9.944 -2.632 1.00 0.00 O ATOM 1083 CB TYR A 73 4.725 -10.465 -1.243 1.00 0.00 C ATOM 1084 CG TYR A 73 5.750 -10.960 -0.238 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.284 -12.256 -0.343 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.159 -10.131 0.823 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.129 -12.753 0.661 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.050 -10.606 1.800 1.00 0.00 C ATOM 1089 CZ TYR A 73 7.492 -11.944 1.756 1.00 0.00 C ATOM 1090 OH TYR A 73 8.282 -12.438 2.747 1.00 0.00 O ATOM 0 H TYR A 73 3.712 -11.946 -3.278 1.00 0.00 H new ATOM 0 HA TYR A 73 3.358 -11.820 -0.329 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.181 -10.439 -2.233 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.447 -9.441 -0.993 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.043 -12.870 -1.198 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.784 -9.120 0.887 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.504 -13.764 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.396 -9.947 2.583 1.00 0.00 H new ATOM 0 HH TYR A 73 9.022 -11.818 2.915 1.00 0.00 H new ATOM 1100 N ASP A 74 1.336 -10.365 -0.531 1.00 0.00 N ATOM 1101 CA ASP A 74 0.170 -9.480 -0.555 1.00 0.00 C ATOM 1102 C ASP A 74 0.673 -8.128 -0.063 1.00 0.00 C ATOM 1103 O ASP A 74 0.901 -7.963 1.143 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.967 -9.955 0.373 1.00 0.00 C ATOM 1105 CG ASP A 74 -2.109 -10.782 -0.211 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -2.091 -12.025 -0.092 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -3.199 -10.216 -0.468 1.00 0.00 O ATOM 0 H ASP A 74 1.426 -10.889 0.340 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.247 -9.453 -1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.514 -10.540 1.173 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.405 -9.070 0.834 1.00 0.00 H new ATOM 1112 N ILE A 75 0.878 -7.173 -0.968 1.00 0.00 N ATOM 1113 CA ILE A 75 1.319 -5.829 -0.618 1.00 0.00 C ATOM 1114 C ILE A 75 0.059 -4.997 -0.363 1.00 0.00 C ATOM 1115 O ILE A 75 -0.623 -4.588 -1.309 1.00 0.00 O ATOM 1116 CB ILE A 75 2.213 -5.209 -1.714 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.300 -6.160 -2.279 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.803 -3.885 -1.172 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.909 -6.776 -3.627 1.00 0.00 C ATOM 0 H ILE A 75 0.741 -7.313 -1.969 1.00 0.00 H new ATOM 0 HA ILE A 75 1.943 -5.855 0.276 1.00 0.00 H new ATOM 0 HB ILE A 75 1.585 -5.010 -2.582 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.234 -5.609 -2.394 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.487 -6.958 -1.561 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.438 -3.431 -1.933 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.992 -3.201 -0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.395 -4.089 -0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.708 -7.432 -3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.991 -7.352 -3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.750 -5.982 -4.357 1.00 0.00 H new ATOM 1131 N SER A 76 -0.297 -4.778 0.904 1.00 0.00 N ATOM 1132 CA SER A 76 -1.391 -3.891 1.262 1.00 0.00 C ATOM 1133 C SER A 76 -0.867 -2.471 1.426 1.00 0.00 C ATOM 1134 O SER A 76 0.245 -2.229 1.894 1.00 0.00 O ATOM 1135 CB SER A 76 -2.162 -4.417 2.485 1.00 0.00 C ATOM 1136 OG SER A 76 -1.339 -4.743 3.592 1.00 0.00 O ATOM 0 H SER A 76 0.166 -5.211 1.703 1.00 0.00 H new ATOM 0 HA SER A 76 -2.123 -3.867 0.455 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.888 -3.665 2.795 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.726 -5.303 2.192 1.00 0.00 H new ATOM 0 HG SER A 76 -1.896 -5.068 4.330 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.674 -1.504 1.012 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.354 -0.093 1.023 1.00 0.00 C ATOM 1144 C VAL A 77 -2.659 0.544 1.489 1.00 0.00 C ATOM 1145 O VAL A 77 -3.713 0.313 0.887 1.00 0.00 O ATOM 1146 CB VAL A 77 -0.843 0.349 -0.373 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.362 1.821 -0.394 1.00 0.00 C ATOM 1148 CG2 VAL A 77 0.258 -0.595 -0.926 1.00 0.00 C ATOM 0 H VAL A 77 -2.607 -1.695 0.645 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.538 0.205 1.681 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.706 0.277 -1.036 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.015 2.076 -1.395 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.187 2.477 -0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 77 0.455 1.947 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.582 -0.242 -1.905 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.108 -0.602 -0.243 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.141 -1.605 -1.018 1.00 0.00 H new ATOM 1158 N ILE A 78 -2.631 1.246 2.622 1.00 0.00 N ATOM 1159 CA ILE A 78 -3.827 1.772 3.272 1.00 0.00 C ATOM 1160 C ILE A 78 -3.650 3.279 3.456 1.00 0.00 C ATOM 1161 O ILE A 78 -2.533 3.750 3.702 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.124 0.980 4.567 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.353 -0.510 4.203 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -5.342 1.566 5.301 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -4.917 -1.379 5.328 1.00 0.00 C ATOM 0 H ILE A 78 -1.767 1.467 3.118 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.718 1.636 2.658 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.273 1.057 5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.033 -0.559 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.405 -0.937 3.877 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.531 0.992 6.208 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.143 2.605 5.564 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.216 1.517 4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.040 -2.402 4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.230 -1.370 6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -5.884 -0.986 5.642 1.00 0.00 H new ATOM 1177 N THR A 79 -4.716 4.055 3.263 1.00 0.00 N ATOM 1178 CA THR A 79 -4.715 5.490 3.501 1.00 0.00 C ATOM 1179 C THR A 79 -5.335 5.703 4.875 1.00 0.00 C ATOM 1180 O THR A 79 -6.351 5.087 5.202 1.00 0.00 O ATOM 1181 CB THR A 79 -5.537 6.200 2.415 1.00 0.00 C ATOM 1182 OG1 THR A 79 -5.079 5.878 1.118 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.499 7.723 2.557 1.00 0.00 C ATOM 0 H THR A 79 -5.612 3.697 2.933 1.00 0.00 H new ATOM 0 HA THR A 79 -3.706 5.901 3.467 1.00 0.00 H new ATOM 0 HB THR A 79 -6.559 5.847 2.552 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.380 6.511 0.851 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.095 8.177 1.766 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.906 8.008 3.527 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.469 8.070 2.480 1.00 0.00 H new ATOM 1191 N LEU A 80 -4.723 6.583 5.667 1.00 0.00 N ATOM 1192 CA LEU A 80 -5.179 6.945 6.990 1.00 0.00 C ATOM 1193 C LEU A 80 -5.446 8.444 7.016 1.00 0.00 C ATOM 1194 O LEU A 80 -4.626 9.242 6.552 1.00 0.00 O ATOM 1195 CB LEU A 80 -4.169 6.548 8.069 1.00 0.00 C ATOM 1196 CG LEU A 80 -2.673 6.650 7.720 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -1.885 7.059 8.968 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -2.148 5.311 7.196 1.00 0.00 C ATOM 0 H LEU A 80 -3.872 7.073 5.389 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.097 6.401 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.352 7.170 8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.376 5.518 8.360 1.00 0.00 H new ATOM 0 HG LEU A 80 -2.546 7.401 6.941 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.826 7.131 8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.242 8.026 9.323 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.026 6.311 9.748 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.089 5.405 6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.280 4.544 7.960 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.700 5.029 6.300 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.599 8.820 7.562 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.094 10.185 7.669 1.00 0.00 C ATOM 1212 C ILE A 81 -7.538 10.461 9.108 1.00 0.00 C ATOM 1213 O ILE A 81 -7.357 9.611 9.984 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.211 10.455 6.627 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.583 9.819 6.967 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.791 10.033 5.209 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.747 10.648 6.407 1.00 0.00 C ATOM 0 H ILE A 81 -7.247 8.142 7.963 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.291 10.884 7.436 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.347 11.536 6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.627 8.809 6.560 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.686 9.732 8.049 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.603 10.240 4.512 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.905 10.593 4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.567 8.966 5.198 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.692 10.170 6.666 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.718 11.650 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.659 10.713 5.323 1.00 0.00 H new ATOM 1229 N ASN A 82 -8.161 11.631 9.305 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.916 12.047 10.487 1.00 0.00 C ATOM 1231 C ASN A 82 -9.634 10.840 11.103 1.00 0.00 C ATOM 1232 O ASN A 82 -10.682 10.424 10.599 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.926 13.138 10.066 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.906 13.526 11.172 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.804 14.593 11.776 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.908 12.707 11.427 1.00 0.00 N ATOM 0 H ASN A 82 -8.148 12.359 8.591 1.00 0.00 H new ATOM 0 HA ASN A 82 -8.243 12.453 11.242 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -9.378 14.026 9.750 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.488 12.786 9.201 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.605 12.957 12.129 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.986 11.824 10.922 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.019 10.286 12.156 1.00 0.00 N ATOM 1244 CA GLY A 83 -9.366 9.057 12.862 1.00 0.00 C ATOM 1245 C GLY A 83 -10.146 8.061 12.008 1.00 0.00 C ATOM 1246 O GLY A 83 -11.252 7.681 12.405 1.00 0.00 O ATOM 0 H GLY A 83 -8.197 10.728 12.567 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.452 8.581 13.216 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.957 9.308 13.743 1.00 0.00 H new ATOM 1250 N GLY A 84 -9.626 7.699 10.832 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.386 6.972 9.834 1.00 0.00 C ATOM 1252 C GLY A 84 -9.479 6.391 8.757 1.00 0.00 C ATOM 1253 O GLY A 84 -8.352 6.847 8.566 1.00 0.00 O ATOM 0 H GLY A 84 -8.667 7.905 10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.944 6.168 10.314 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.117 7.638 9.375 1.00 0.00 H new ATOM 1257 N GLU A 85 -9.990 5.402 8.032 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.256 4.530 7.119 1.00 0.00 C ATOM 1259 C GLU A 85 -10.110 4.314 5.864 1.00 0.00 C ATOM 1260 O GLU A 85 -11.344 4.256 5.971 1.00 0.00 O ATOM 1261 CB GLU A 85 -9.016 3.207 7.866 1.00 0.00 C ATOM 1262 CG GLU A 85 -8.060 2.231 7.181 1.00 0.00 C ATOM 1263 CD GLU A 85 -8.048 0.885 7.916 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -8.873 0.008 7.560 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -7.230 0.693 8.847 1.00 0.00 O ATOM 0 H GLU A 85 -10.983 5.174 8.067 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.302 4.957 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.626 3.435 8.858 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -9.976 2.710 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.363 2.083 6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.054 2.651 7.162 1.00 0.00 H new ATOM 1272 N SER A 86 -9.488 4.181 4.689 1.00 0.00 N ATOM 1273 CA SER A 86 -10.188 3.909 3.433 1.00 0.00 C ATOM 1274 C SER A 86 -10.430 2.409 3.270 1.00 0.00 C ATOM 1275 O SER A 86 -10.149 1.618 4.176 1.00 0.00 O ATOM 1276 CB SER A 86 -9.446 4.499 2.242 1.00 0.00 C ATOM 1277 OG SER A 86 -8.850 5.738 2.543 1.00 0.00 O ATOM 0 H SER A 86 -8.477 4.260 4.583 1.00 0.00 H new ATOM 0 HA SER A 86 -11.160 4.400 3.470 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.678 3.799 1.913 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.140 4.625 1.411 1.00 0.00 H new ATOM 0 HG SER A 86 -9.143 6.409 1.891 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.960 1.997 2.116 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.961 0.585 1.766 1.00 0.00 C ATOM 1285 C ALA A 87 -9.497 0.139 1.680 1.00 0.00 C ATOM 1286 O ALA A 87 -8.697 0.866 1.078 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.681 0.377 0.429 1.00 0.00 C ATOM 0 H ALA A 87 -11.385 2.612 1.423 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.489 -0.006 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.677 -0.683 0.175 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.710 0.726 0.512 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.169 0.939 -0.352 1.00 0.00 H new ATOM 1293 N PRO A 88 -9.108 -1.011 2.254 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.753 -1.507 2.097 1.00 0.00 C ATOM 1295 C PRO A 88 -7.558 -1.833 0.618 1.00 0.00 C ATOM 1296 O PRO A 88 -8.429 -2.450 0.003 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.646 -2.735 3.001 1.00 0.00 C ATOM 1298 CG PRO A 88 -9.081 -3.250 3.036 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.922 -1.973 2.979 1.00 0.00 C ATOM 0 HA PRO A 88 -6.977 -0.795 2.381 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.959 -3.478 2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.284 -2.475 3.996 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.292 -3.907 2.192 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.280 -3.821 3.943 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.870 -2.149 2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -10.159 -1.613 3.980 1.00 0.00 H new ATOM 1307 N THR A 89 -6.446 -1.379 0.048 1.00 0.00 N ATOM 1308 CA THR A 89 -6.165 -1.539 -1.365 1.00 0.00 C ATOM 1309 C THR A 89 -4.889 -2.370 -1.440 1.00 0.00 C ATOM 1310 O THR A 89 -3.820 -1.930 -1.006 1.00 0.00 O ATOM 1311 CB THR A 89 -6.068 -0.161 -2.034 1.00 0.00 C ATOM 1312 OG1 THR A 89 -7.130 0.680 -1.612 1.00 0.00 O ATOM 1313 CG2 THR A 89 -6.147 -0.260 -3.557 1.00 0.00 C ATOM 0 H THR A 89 -5.714 -0.888 0.561 1.00 0.00 H new ATOM 0 HA THR A 89 -6.954 -2.056 -1.912 1.00 0.00 H new ATOM 0 HB THR A 89 -5.103 0.252 -1.740 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.049 1.554 -2.049 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.075 0.737 -3.991 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.326 -0.876 -3.925 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.097 -0.712 -3.843 1.00 0.00 H new ATOM 1321 N THR A 90 -5.022 -3.601 -1.913 1.00 0.00 N ATOM 1322 CA THR A 90 -3.947 -4.574 -1.954 1.00 0.00 C ATOM 1323 C THR A 90 -3.832 -5.035 -3.407 1.00 0.00 C ATOM 1324 O THR A 90 -4.823 -5.039 -4.149 1.00 0.00 O ATOM 1325 CB THR A 90 -4.289 -5.708 -0.959 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.628 -5.162 0.308 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.168 -6.725 -0.713 1.00 0.00 C ATOM 0 H THR A 90 -5.902 -3.956 -2.287 1.00 0.00 H new ATOM 0 HA THR A 90 -2.979 -4.177 -1.649 1.00 0.00 H new ATOM 0 HB THR A 90 -5.117 -6.235 -1.434 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.844 -5.888 0.930 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.509 -7.477 -0.001 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.903 -7.209 -1.653 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.294 -6.213 -0.309 1.00 0.00 H new ATOM 1335 N LEU A 91 -2.637 -5.452 -3.819 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.482 -6.418 -4.897 1.00 0.00 C ATOM 1337 C LEU A 91 -1.470 -7.445 -4.372 1.00 0.00 C ATOM 1338 O LEU A 91 -0.663 -7.118 -3.497 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.097 -5.734 -6.225 1.00 0.00 C ATOM 1340 CG LEU A 91 -2.681 -6.400 -7.493 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.597 -5.430 -8.675 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -1.973 -7.695 -7.895 1.00 0.00 C ATOM 0 H LEU A 91 -1.756 -5.131 -3.417 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.412 -6.925 -5.154 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.428 -4.696 -6.192 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.010 -5.719 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 91 -3.713 -6.651 -7.245 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.010 -5.905 -9.565 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.166 -4.529 -8.447 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.555 -5.165 -8.855 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -2.440 -8.101 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.922 -7.488 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.052 -8.420 -7.085 1.00 0.00 H new ATOM 1354 N THR A 92 -1.517 -8.678 -4.861 1.00 0.00 N ATOM 1355 CA THR A 92 -0.586 -9.734 -4.490 1.00 0.00 C ATOM 1356 C THR A 92 0.249 -10.046 -5.733 1.00 0.00 C ATOM 1357 O THR A 92 -0.292 -10.104 -6.840 1.00 0.00 O ATOM 1358 CB THR A 92 -1.364 -10.912 -3.866 1.00 0.00 C ATOM 1359 OG1 THR A 92 -0.548 -11.778 -3.102 1.00 0.00 O ATOM 1360 CG2 THR A 92 -2.186 -11.721 -4.871 1.00 0.00 C ATOM 0 H THR A 92 -2.217 -8.977 -5.540 1.00 0.00 H new ATOM 0 HA THR A 92 0.118 -9.449 -3.708 1.00 0.00 H new ATOM 0 HB THR A 92 -2.067 -10.423 -3.192 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.085 -12.402 -3.699 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.702 -12.529 -4.352 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.919 -11.071 -5.349 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.524 -12.140 -5.629 1.00 0.00 H new ATOM 1368 N GLN A 93 1.564 -10.181 -5.579 1.00 0.00 N ATOM 1369 CA GLN A 93 2.502 -10.364 -6.677 1.00 0.00 C ATOM 1370 C GLN A 93 3.439 -11.486 -6.262 1.00 0.00 C ATOM 1371 O GLN A 93 4.188 -11.355 -5.291 1.00 0.00 O ATOM 1372 CB GLN A 93 3.272 -9.061 -6.980 1.00 0.00 C ATOM 1373 CG GLN A 93 2.427 -7.972 -7.680 1.00 0.00 C ATOM 1374 CD GLN A 93 2.565 -7.891 -9.208 1.00 0.00 C ATOM 1375 OE1 GLN A 93 2.410 -6.814 -9.783 1.00 0.00 O ATOM 1376 NE2 GLN A 93 2.828 -8.989 -9.904 1.00 0.00 N ATOM 0 H GLN A 93 2.015 -10.165 -4.664 1.00 0.00 H new ATOM 0 HA GLN A 93 1.980 -10.621 -7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 93 3.662 -8.657 -6.046 1.00 0.00 H new ATOM 0 HB3 GLN A 93 4.131 -9.298 -7.608 1.00 0.00 H new ATOM 0 HG2 GLN A 93 1.378 -8.143 -7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.697 -7.004 -7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 93 2.956 -9.879 -9.423 1.00 0.00 H new ATOM 0 HE22 GLN A 93 2.903 -8.943 -10.920 1.00 0.00 H new ATOM 1385 N GLN A 94 3.369 -12.602 -6.987 1.00 0.00 N ATOM 1386 CA GLN A 94 4.374 -13.635 -6.919 1.00 0.00 C ATOM 1387 C GLN A 94 5.485 -13.254 -7.896 1.00 0.00 C ATOM 1388 O GLN A 94 5.262 -13.265 -9.110 1.00 0.00 O ATOM 1389 CB GLN A 94 3.735 -14.988 -7.245 1.00 0.00 C ATOM 1390 CG GLN A 94 4.667 -16.140 -6.857 1.00 0.00 C ATOM 1391 CD GLN A 94 4.309 -17.467 -7.517 1.00 0.00 C ATOM 1392 OE1 GLN A 94 5.134 -18.058 -8.209 1.00 0.00 O ATOM 1393 NE2 GLN A 94 3.120 -18.002 -7.320 1.00 0.00 N ATOM 0 H GLN A 94 2.608 -12.805 -7.636 1.00 0.00 H new ATOM 0 HA GLN A 94 4.803 -13.726 -5.921 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.789 -15.085 -6.713 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.509 -15.041 -8.310 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.689 -15.875 -7.126 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.644 -16.265 -5.774 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.431 -17.516 -6.746 1.00 0.00 H new ATOM 0 HE22 GLN A 94 2.890 -18.902 -7.741 1.00 0.00 H new ATOM 1402 N THR A 95 6.663 -12.914 -7.391 1.00 0.00 N ATOM 1403 CA THR A 95 7.880 -12.791 -8.175 1.00 0.00 C ATOM 1404 C THR A 95 8.972 -13.309 -7.257 1.00 0.00 C ATOM 1405 O THR A 95 9.664 -14.274 -7.650 1.00 0.00 O ATOM 1406 CB THR A 95 8.087 -11.342 -8.650 1.00 0.00 C ATOM 1407 OG1 THR A 95 6.935 -10.907 -9.353 1.00 0.00 O ATOM 1408 CG2 THR A 95 9.314 -11.222 -9.557 1.00 0.00 C ATOM 1409 OXT THR A 95 8.949 -12.936 -6.070 1.00 0.00 O ATOM 0 H THR A 95 6.800 -12.712 -6.401 1.00 0.00 H new ATOM 0 HA THR A 95 7.862 -13.363 -9.103 1.00 0.00 H new ATOM 0 HB THR A 95 8.250 -10.716 -7.773 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.207 -10.375 -10.130 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.432 -10.186 -9.875 1.00 0.00 H new ATOM 0 HG22 THR A 95 10.203 -11.537 -9.010 1.00 0.00 H new ATOM 0 HG23 THR A 95 9.183 -11.857 -10.433 1.00 0.00 H new TER 1417 THR A 95