USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 821 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 Single : A 1 THR OG1 : rot 176:sc= -2.68! USER MOD Single : A 3 ASN : amide:sc= -0.0652 K(o=-0.065,f=-2.1!) USER MOD Single : A 4 HIS : no HD1:sc= -0.0161 X(o=-0.016,f=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 7 MET CE :methyl -160:sc= 0 (180deg=-0.122) USER MOD Single : A 9 GLN : amide:sc= -0.0873 X(o=-0.087,f=-0.28) USER MOD Single : A -4 GLY N :NH3+ -151:sc= 0.0111 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.79) USER MOD Single : A 16 HIS : no HE2:sc= 1.04 K(o=1,f=-3.6!) USER MOD Single : A 17 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.47) USER MOD Single : A 20 GLN : amide:sc= 0.429 X(o=0.43,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 161:sc= 2.4 (180deg=1.98) USER MOD Single : A 36 SER OG : rot 160:sc= -0.114 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -74:sc= 1.2 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 74:sc= 0.0463 USER MOD Single : A 53 SER OG : rot 101:sc= 1.26 USER MOD Single : A 54 ASN : amide:sc= -0.0884 K(o=-0.088,f=-1.1) USER MOD Single : A 59 TYR OH : rot 165:sc= -0.0834 USER MOD Single : A 61 THR OG1 : rot 40:sc= -1.23! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 72 SER OG : rot -167:sc= 1.25 USER MOD Single : A 75 THR OG1 : rot -5:sc= 0.903 USER MOD Single : A 83 TYR OH : rot -102:sc= 1.25 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 86 GLN : amide:sc= -1.14 K(o=-1.1,f=-3.9!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc=-0.00593 F(o=-1.4,f=-0.0059) USER MOD Single : A 105 GLN : amide:sc= -0.147 K(o=-0.15,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -4 3.594 -24.746 -9.052 1.00 5.43 N ATOM 2 CA GLY A -4 2.593 -24.094 -9.929 1.00 4.83 C ATOM 3 C GLY A -4 2.000 -22.864 -9.281 1.00 4.18 C ATOM 4 O GLY A -4 2.699 -22.124 -8.587 1.00 4.27 O ATOM 0 H1 GLY A -4 4.303 -25.233 -9.637 1.00 5.43 H new ATOM 0 H2 GLY A -4 4.063 -24.026 -8.466 1.00 5.43 H new ATOM 0 H3 GLY A -4 3.119 -25.437 -8.437 1.00 5.43 H new ATOM 0 HA2 GLY A -4 3.062 -23.818 -10.874 1.00 4.83 H new ATOM 0 HA3 GLY A -4 1.798 -24.802 -10.163 1.00 4.83 H new ATOM 8 N ILE A -3 0.711 -22.646 -9.494 1.00 3.81 N ATOM 9 CA ILE A -3 0.022 -21.513 -8.900 1.00 3.35 C ATOM 10 C ILE A -3 -0.366 -21.830 -7.461 1.00 2.96 C ATOM 11 O ILE A -3 -0.944 -22.881 -7.183 1.00 3.17 O ATOM 12 CB ILE A -3 -1.243 -21.132 -9.704 1.00 3.71 C ATOM 13 CG1 ILE A -3 -0.876 -20.796 -11.154 1.00 4.15 C ATOM 14 CG2 ILE A -3 -1.967 -19.960 -9.053 1.00 4.12 C ATOM 15 CD1 ILE A -3 0.125 -19.668 -11.288 1.00 4.76 C ATOM 0 H ILE A -3 0.121 -23.241 -10.075 1.00 3.81 H new ATOM 0 HA ILE A -3 0.706 -20.665 -8.918 1.00 3.35 H new ATOM 0 HB ILE A -3 -1.916 -21.990 -9.705 1.00 3.71 H new ATOM 0 HG12 ILE A -3 -0.470 -21.688 -11.632 1.00 4.15 H new ATOM 0 HG13 ILE A -3 -1.784 -20.530 -11.696 1.00 4.15 H new ATOM 0 HG21 ILE A -3 -2.853 -19.710 -9.636 1.00 4.12 H new ATOM 0 HG22 ILE A -3 -2.264 -20.233 -8.040 1.00 4.12 H new ATOM 0 HG23 ILE A -3 -1.302 -19.097 -9.016 1.00 4.12 H new ATOM 0 HD11 ILE A -3 0.333 -19.490 -12.343 1.00 4.76 H new ATOM 0 HD12 ILE A -3 -0.285 -18.762 -10.841 1.00 4.76 H new ATOM 0 HD13 ILE A -3 1.049 -19.938 -10.776 1.00 4.76 H new ATOM 27 N ASP A -2 -0.027 -20.931 -6.551 1.00 2.59 N ATOM 28 CA ASP A -2 -0.331 -21.119 -5.141 1.00 2.41 C ATOM 29 C ASP A -2 -1.216 -19.981 -4.635 1.00 2.20 C ATOM 30 O ASP A -2 -0.949 -18.811 -4.913 1.00 2.05 O ATOM 31 CB ASP A -2 0.962 -21.189 -4.329 1.00 2.39 C ATOM 32 CG ASP A -2 0.715 -21.466 -2.863 1.00 2.94 C ATOM 33 OD1 ASP A -2 0.547 -20.496 -2.094 1.00 3.18 O ATOM 34 OD2 ASP A -2 0.685 -22.649 -2.475 1.00 3.49 O ATOM 0 H ASP A -2 0.461 -20.061 -6.764 1.00 2.59 H new ATOM 0 HA ASP A -2 -0.870 -22.058 -5.020 1.00 2.41 H new ATOM 0 HB2 ASP A -2 1.602 -21.970 -4.739 1.00 2.39 H new ATOM 0 HB3 ASP A -2 1.502 -20.248 -4.431 1.00 2.39 H new ATOM 39 N PRO A -1 -2.295 -20.310 -3.900 1.00 2.29 N ATOM 40 CA PRO A -1 -3.251 -19.315 -3.396 1.00 2.22 C ATOM 41 C PRO A -1 -2.665 -18.393 -2.326 1.00 2.13 C ATOM 42 O PRO A -1 -3.206 -17.320 -2.063 1.00 2.08 O ATOM 43 CB PRO A -1 -4.383 -20.158 -2.789 1.00 2.52 C ATOM 44 CG PRO A -1 -4.164 -21.543 -3.291 1.00 2.79 C ATOM 45 CD PRO A -1 -2.689 -21.675 -3.517 1.00 2.58 C ATOM 0 HA PRO A -1 -3.568 -18.650 -4.199 1.00 2.22 H new ATOM 0 HB2 PRO A -1 -4.354 -20.127 -1.700 1.00 2.52 H new ATOM 0 HB3 PRO A -1 -5.359 -19.781 -3.093 1.00 2.52 H new ATOM 0 HG2 PRO A -1 -4.515 -22.279 -2.568 1.00 2.79 H new ATOM 0 HG3 PRO A -1 -4.717 -21.715 -4.215 1.00 2.79 H new ATOM 0 HD2 PRO A -1 -2.170 -22.009 -2.618 1.00 2.58 H new ATOM 0 HD3 PRO A -1 -2.463 -22.397 -4.302 1.00 2.58 H new ATOM 53 N PHE A 0 -1.566 -18.804 -1.709 1.00 2.17 N ATOM 54 CA PHE A 0 -0.973 -18.029 -0.629 1.00 2.18 C ATOM 55 C PHE A 0 0.171 -17.162 -1.138 1.00 1.96 C ATOM 56 O PHE A 0 0.377 -16.047 -0.651 1.00 1.91 O ATOM 57 CB PHE A 0 -0.485 -18.954 0.485 1.00 2.38 C ATOM 58 CG PHE A 0 -1.580 -19.777 1.099 1.00 2.96 C ATOM 59 CD1 PHE A 0 -2.461 -19.213 2.009 1.00 3.20 C ATOM 60 CD2 PHE A 0 -1.731 -21.113 0.767 1.00 3.61 C ATOM 61 CE1 PHE A 0 -3.470 -19.965 2.574 1.00 4.02 C ATOM 62 CE2 PHE A 0 -2.740 -21.871 1.330 1.00 4.56 C ATOM 63 CZ PHE A 0 -3.611 -21.297 2.235 1.00 4.74 C ATOM 0 H PHE A 0 -1.069 -19.665 -1.936 1.00 2.17 H new ATOM 0 HA PHE A 0 -1.742 -17.370 -0.226 1.00 2.18 H new ATOM 0 HB2 PHE A 0 0.279 -19.620 0.085 1.00 2.38 H new ATOM 0 HB3 PHE A 0 -0.011 -18.355 1.263 1.00 2.38 H new ATOM 0 HD1 PHE A 0 -2.356 -18.172 2.279 1.00 3.20 H new ATOM 0 HD2 PHE A 0 -1.053 -21.568 0.060 1.00 3.61 H new ATOM 0 HE1 PHE A 0 -4.150 -19.513 3.281 1.00 4.02 H new ATOM 0 HE2 PHE A 0 -2.847 -22.912 1.062 1.00 4.56 H new ATOM 0 HZ PHE A 0 -4.400 -21.888 2.677 1.00 4.74 H new ATOM 73 N THR A 1 0.906 -17.658 -2.130 1.00 1.91 N ATOM 74 CA THR A 1 1.996 -16.891 -2.722 1.00 1.79 C ATOM 75 C THR A 1 1.460 -15.657 -3.440 1.00 1.62 C ATOM 76 O THR A 1 2.201 -14.716 -3.716 1.00 1.47 O ATOM 77 CB THR A 1 2.828 -17.737 -3.705 1.00 1.96 C ATOM 78 OG1 THR A 1 1.975 -18.326 -4.689 1.00 2.16 O ATOM 79 CG2 THR A 1 3.593 -18.826 -2.969 1.00 2.63 C ATOM 0 H THR A 1 0.767 -18.582 -2.538 1.00 1.91 H new ATOM 0 HA THR A 1 2.647 -16.582 -1.904 1.00 1.79 H new ATOM 0 HB THR A 1 3.546 -17.081 -4.196 1.00 1.96 H new ATOM 0 HG1 THR A 1 2.519 -18.808 -5.347 1.00 2.16 H new ATOM 0 HG21 THR A 1 4.173 -19.410 -3.684 1.00 2.63 H new ATOM 0 HG22 THR A 1 4.266 -18.370 -2.242 1.00 2.63 H new ATOM 0 HG23 THR A 1 2.890 -19.479 -2.453 1.00 2.63 H new ATOM 87 N LEU A 2 0.161 -15.664 -3.728 1.00 1.68 N ATOM 88 CA LEU A 2 -0.510 -14.508 -4.313 1.00 1.59 C ATOM 89 C LEU A 2 -0.381 -13.292 -3.398 1.00 1.41 C ATOM 90 O LEU A 2 -0.274 -12.157 -3.865 1.00 1.32 O ATOM 91 CB LEU A 2 -1.988 -14.822 -4.563 1.00 1.75 C ATOM 92 CG LEU A 2 -2.260 -15.908 -5.606 1.00 2.06 C ATOM 93 CD1 LEU A 2 -3.743 -16.244 -5.654 1.00 2.35 C ATOM 94 CD2 LEU A 2 -1.775 -15.463 -6.976 1.00 2.49 C ATOM 0 H LEU A 2 -0.451 -16.464 -3.564 1.00 1.68 H new ATOM 0 HA LEU A 2 -0.031 -14.279 -5.265 1.00 1.59 H new ATOM 0 HB2 LEU A 2 -2.442 -15.126 -3.620 1.00 1.75 H new ATOM 0 HB3 LEU A 2 -2.489 -13.906 -4.877 1.00 1.75 H new ATOM 0 HG LEU A 2 -1.712 -16.805 -5.318 1.00 2.06 H new ATOM 0 HD11 LEU A 2 -3.917 -17.018 -6.401 1.00 2.35 H new ATOM 0 HD12 LEU A 2 -4.066 -16.604 -4.677 1.00 2.35 H new ATOM 0 HD13 LEU A 2 -4.310 -15.351 -5.918 1.00 2.35 H new ATOM 0 HD21 LEU A 2 -1.976 -16.247 -7.706 1.00 2.49 H new ATOM 0 HD22 LEU A 2 -2.297 -14.552 -7.269 1.00 2.49 H new ATOM 0 HD23 LEU A 2 -0.703 -15.270 -6.937 1.00 2.49 H new ATOM 106 N ASN A 3 -0.374 -13.543 -2.092 1.00 1.39 N ATOM 107 CA ASN A 3 -0.201 -12.481 -1.108 1.00 1.27 C ATOM 108 C ASN A 3 1.216 -11.933 -1.177 1.00 1.13 C ATOM 109 O ASN A 3 1.446 -10.743 -0.982 1.00 1.04 O ATOM 110 CB ASN A 3 -0.492 -12.988 0.311 1.00 1.35 C ATOM 111 CG ASN A 3 -1.951 -13.348 0.527 1.00 1.93 C ATOM 112 OD1 ASN A 3 -2.652 -13.757 -0.399 1.00 2.67 O ATOM 113 ND2 ASN A 3 -2.417 -13.206 1.756 1.00 2.35 N ATOM 0 H ASN A 3 -0.486 -14.474 -1.691 1.00 1.39 H new ATOM 0 HA ASN A 3 -0.910 -11.687 -1.340 1.00 1.27 H new ATOM 0 HB2 ASN A 3 0.126 -13.863 0.511 1.00 1.35 H new ATOM 0 HB3 ASN A 3 -0.202 -12.222 1.031 1.00 1.35 H new ATOM 0 HD21 ASN A 3 -3.388 -13.438 1.963 1.00 2.35 H new ATOM 0 HD22 ASN A 3 -1.805 -12.864 2.497 1.00 2.35 H new ATOM 120 N HIS A 4 2.161 -12.814 -1.478 1.00 1.17 N ATOM 121 CA HIS A 4 3.555 -12.418 -1.636 1.00 1.10 C ATOM 122 C HIS A 4 3.718 -11.628 -2.926 1.00 1.02 C ATOM 123 O HIS A 4 4.428 -10.623 -2.973 1.00 0.91 O ATOM 124 CB HIS A 4 4.471 -13.645 -1.663 1.00 1.25 C ATOM 125 CG HIS A 4 4.558 -14.386 -0.361 1.00 1.70 C ATOM 126 ND1 HIS A 4 5.709 -14.448 0.392 1.00 2.30 N ATOM 127 CD2 HIS A 4 3.635 -15.114 0.309 1.00 2.32 C ATOM 128 CE1 HIS A 4 5.491 -15.182 1.466 1.00 2.94 C ATOM 129 NE2 HIS A 4 4.240 -15.599 1.440 1.00 2.93 N ATOM 0 H HIS A 4 1.988 -13.809 -1.618 1.00 1.17 H new ATOM 0 HA HIS A 4 3.837 -11.797 -0.786 1.00 1.10 H new ATOM 0 HB2 HIS A 4 4.117 -14.330 -2.433 1.00 1.25 H new ATOM 0 HB3 HIS A 4 5.473 -13.328 -1.954 1.00 1.25 H new ATOM 0 HD2 HIS A 4 2.611 -15.282 0.009 1.00 2.32 H new ATOM 0 HE1 HIS A 4 6.215 -15.404 2.236 1.00 2.94 H new ATOM 0 HE2 HIS A 4 3.795 -16.186 2.146 1.00 2.93 H new ATOM 138 N GLN A 5 3.036 -12.098 -3.966 1.00 1.10 N ATOM 139 CA GLN A 5 3.045 -11.457 -5.275 1.00 1.08 C ATOM 140 C GLN A 5 2.606 -9.999 -5.176 1.00 0.94 C ATOM 141 O GLN A 5 3.307 -9.100 -5.634 1.00 0.87 O ATOM 142 CB GLN A 5 2.124 -12.228 -6.232 1.00 1.25 C ATOM 143 CG GLN A 5 1.943 -11.573 -7.594 1.00 1.87 C ATOM 144 CD GLN A 5 3.244 -11.419 -8.360 1.00 2.11 C ATOM 145 OE1 GLN A 5 4.174 -12.212 -8.208 1.00 2.47 O ATOM 146 NE2 GLN A 5 3.317 -10.395 -9.193 1.00 2.67 N ATOM 0 H GLN A 5 2.459 -12.938 -3.923 1.00 1.10 H new ATOM 0 HA GLN A 5 4.064 -11.473 -5.662 1.00 1.08 H new ATOM 0 HB2 GLN A 5 2.527 -13.231 -6.375 1.00 1.25 H new ATOM 0 HB3 GLN A 5 1.146 -12.341 -5.764 1.00 1.25 H new ATOM 0 HG2 GLN A 5 1.248 -12.168 -8.187 1.00 1.87 H new ATOM 0 HG3 GLN A 5 1.489 -10.591 -7.461 1.00 1.87 H new ATOM 0 HE21 GLN A 5 2.525 -9.760 -9.291 1.00 2.67 H new ATOM 0 HE22 GLN A 5 4.165 -10.240 -9.738 1.00 2.67 H new ATOM 155 N VAL A 6 1.452 -9.765 -4.566 1.00 0.96 N ATOM 156 CA VAL A 6 0.926 -8.414 -4.450 1.00 0.91 C ATOM 157 C VAL A 6 1.783 -7.573 -3.500 1.00 0.76 C ATOM 158 O VAL A 6 1.870 -6.351 -3.643 1.00 0.70 O ATOM 159 CB VAL A 6 -0.552 -8.413 -3.983 1.00 1.07 C ATOM 160 CG1 VAL A 6 -0.688 -8.954 -2.567 1.00 1.30 C ATOM 161 CG2 VAL A 6 -1.157 -7.020 -4.088 1.00 1.59 C ATOM 0 H VAL A 6 0.867 -10.488 -4.147 1.00 0.96 H new ATOM 0 HA VAL A 6 0.964 -7.967 -5.443 1.00 0.91 H new ATOM 0 HB VAL A 6 -1.106 -9.076 -4.648 1.00 1.07 H new ATOM 0 HG11 VAL A 6 -1.737 -8.939 -2.271 1.00 1.30 H new ATOM 0 HG12 VAL A 6 -0.315 -9.978 -2.531 1.00 1.30 H new ATOM 0 HG13 VAL A 6 -0.109 -8.333 -1.883 1.00 1.30 H new ATOM 0 HG21 VAL A 6 -2.194 -7.048 -3.754 1.00 1.59 H new ATOM 0 HG22 VAL A 6 -0.592 -6.330 -3.461 1.00 1.59 H new ATOM 0 HG23 VAL A 6 -1.118 -6.684 -5.124 1.00 1.59 H new ATOM 171 N MET A 7 2.450 -8.236 -2.558 1.00 0.75 N ATOM 172 CA MET A 7 3.236 -7.538 -1.550 1.00 0.65 C ATOM 173 C MET A 7 4.554 -7.019 -2.127 1.00 0.59 C ATOM 174 O MET A 7 4.975 -5.903 -1.822 1.00 0.56 O ATOM 175 CB MET A 7 3.511 -8.436 -0.344 1.00 0.70 C ATOM 176 CG MET A 7 4.097 -7.676 0.833 1.00 0.65 C ATOM 177 SD MET A 7 2.986 -6.385 1.431 1.00 0.67 S ATOM 178 CE MET A 7 4.082 -5.461 2.499 1.00 0.64 C ATOM 0 H MET A 7 2.461 -9.252 -2.474 1.00 0.75 H new ATOM 0 HA MET A 7 2.646 -6.683 -1.220 1.00 0.65 H new ATOM 0 HB2 MET A 7 2.583 -8.916 -0.035 1.00 0.70 H new ATOM 0 HB3 MET A 7 4.198 -9.230 -0.637 1.00 0.70 H new ATOM 0 HG2 MET A 7 4.311 -8.373 1.643 1.00 0.65 H new ATOM 0 HG3 MET A 7 5.046 -7.229 0.538 1.00 0.65 H new ATOM 0 HE1 MET A 7 3.493 -4.871 3.201 1.00 0.64 H new ATOM 0 HE2 MET A 7 4.720 -6.151 3.051 1.00 0.64 H new ATOM 0 HE3 MET A 7 4.702 -4.797 1.897 1.00 0.64 H new ATOM 188 N ASP A 8 5.211 -7.809 -2.966 1.00 0.63 N ATOM 189 CA ASP A 8 6.463 -7.355 -3.560 1.00 0.61 C ATOM 190 C ASP A 8 6.177 -6.364 -4.682 1.00 0.54 C ATOM 191 O ASP A 8 7.015 -5.525 -5.008 1.00 0.50 O ATOM 192 CB ASP A 8 7.325 -8.526 -4.062 1.00 0.74 C ATOM 193 CG ASP A 8 6.879 -9.101 -5.393 1.00 0.99 C ATOM 194 OD1 ASP A 8 7.285 -8.560 -6.445 1.00 1.15 O ATOM 195 OD2 ASP A 8 6.153 -10.116 -5.395 1.00 1.36 O ATOM 0 H ASP A 8 4.910 -8.742 -3.246 1.00 0.63 H new ATOM 0 HA ASP A 8 7.040 -6.854 -2.783 1.00 0.61 H new ATOM 0 HB2 ASP A 8 8.358 -8.190 -4.152 1.00 0.74 H new ATOM 0 HB3 ASP A 8 7.312 -9.319 -3.314 1.00 0.74 H new ATOM 200 N GLN A 9 4.976 -6.449 -5.248 1.00 0.57 N ATOM 201 CA GLN A 9 4.540 -5.498 -6.267 1.00 0.54 C ATOM 202 C GLN A 9 4.332 -4.111 -5.665 1.00 0.45 C ATOM 203 O GLN A 9 4.781 -3.111 -6.229 1.00 0.43 O ATOM 204 CB GLN A 9 3.256 -5.982 -6.943 1.00 0.65 C ATOM 205 CG GLN A 9 3.478 -7.116 -7.930 1.00 1.34 C ATOM 206 CD GLN A 9 4.181 -6.661 -9.195 1.00 1.93 C ATOM 207 OE1 GLN A 9 5.408 -6.641 -9.267 1.00 2.45 O ATOM 208 NE2 GLN A 9 3.409 -6.313 -10.209 1.00 2.62 N ATOM 0 H GLN A 9 4.288 -7.166 -5.019 1.00 0.57 H new ATOM 0 HA GLN A 9 5.325 -5.430 -7.020 1.00 0.54 H new ATOM 0 HB2 GLN A 9 2.554 -6.311 -6.177 1.00 0.65 H new ATOM 0 HB3 GLN A 9 2.791 -5.144 -7.463 1.00 0.65 H new ATOM 0 HG2 GLN A 9 4.068 -7.898 -7.452 1.00 1.34 H new ATOM 0 HG3 GLN A 9 2.517 -7.558 -8.192 1.00 1.34 H new ATOM 0 HE21 GLN A 9 2.394 -6.343 -10.111 1.00 2.62 H new ATOM 0 HE22 GLN A 9 3.828 -6.015 -11.090 1.00 2.62 H new ATOM 217 N VAL A 10 3.658 -4.050 -4.518 1.00 0.46 N ATOM 218 CA VAL A 10 3.436 -2.776 -3.846 1.00 0.44 C ATOM 219 C VAL A 10 4.752 -2.216 -3.312 1.00 0.37 C ATOM 220 O VAL A 10 4.985 -1.009 -3.374 1.00 0.39 O ATOM 221 CB VAL A 10 2.392 -2.875 -2.701 1.00 0.52 C ATOM 222 CG1 VAL A 10 2.793 -3.903 -1.660 1.00 1.25 C ATOM 223 CG2 VAL A 10 2.181 -1.521 -2.039 1.00 1.39 C ATOM 0 H VAL A 10 3.261 -4.859 -4.041 1.00 0.46 H new ATOM 0 HA VAL A 10 3.028 -2.095 -4.593 1.00 0.44 H new ATOM 0 HB VAL A 10 1.454 -3.199 -3.152 1.00 0.52 H new ATOM 0 HG11 VAL A 10 2.036 -3.941 -0.876 1.00 1.25 H new ATOM 0 HG12 VAL A 10 2.879 -4.883 -2.130 1.00 1.25 H new ATOM 0 HG13 VAL A 10 3.753 -3.625 -1.224 1.00 1.25 H new ATOM 0 HG21 VAL A 10 1.445 -1.617 -1.240 1.00 1.39 H new ATOM 0 HG22 VAL A 10 3.125 -1.169 -1.623 1.00 1.39 H new ATOM 0 HG23 VAL A 10 1.822 -0.806 -2.779 1.00 1.39 H new ATOM 233 N PHE A 11 5.622 -3.093 -2.815 1.00 0.35 N ATOM 234 CA PHE A 11 6.928 -2.666 -2.334 1.00 0.35 C ATOM 235 C PHE A 11 7.735 -2.056 -3.475 1.00 0.31 C ATOM 236 O PHE A 11 8.351 -1.005 -3.319 1.00 0.33 O ATOM 237 CB PHE A 11 7.701 -3.828 -1.709 1.00 0.41 C ATOM 238 CG PHE A 11 9.073 -3.427 -1.244 1.00 0.45 C ATOM 239 CD1 PHE A 11 9.233 -2.516 -0.212 1.00 0.56 C ATOM 240 CD2 PHE A 11 10.201 -3.982 -1.824 1.00 0.48 C ATOM 241 CE1 PHE A 11 10.494 -2.166 0.229 1.00 0.65 C ATOM 242 CE2 PHE A 11 11.464 -3.633 -1.389 1.00 0.56 C ATOM 243 CZ PHE A 11 11.603 -2.647 -0.408 1.00 0.64 C ATOM 0 H PHE A 11 5.446 -4.095 -2.736 1.00 0.35 H new ATOM 0 HA PHE A 11 6.769 -1.913 -1.562 1.00 0.35 H new ATOM 0 HB2 PHE A 11 7.136 -4.222 -0.864 1.00 0.41 H new ATOM 0 HB3 PHE A 11 7.790 -4.634 -2.437 1.00 0.41 H new ATOM 0 HD1 PHE A 11 8.363 -2.075 0.252 1.00 0.56 H new ATOM 0 HD2 PHE A 11 10.092 -4.697 -2.626 1.00 0.48 H new ATOM 0 HE1 PHE A 11 10.604 -1.510 1.080 1.00 0.65 H new ATOM 0 HE2 PHE A 11 12.336 -4.117 -1.803 1.00 0.56 H new ATOM 0 HZ PHE A 11 12.582 -2.267 -0.155 1.00 0.64 H new ATOM 253 N ASP A 12 7.717 -2.719 -4.620 1.00 0.31 N ATOM 254 CA ASP A 12 8.389 -2.211 -5.810 1.00 0.31 C ATOM 255 C ASP A 12 7.857 -0.833 -6.186 1.00 0.29 C ATOM 256 O ASP A 12 8.619 0.064 -6.558 1.00 0.31 O ATOM 257 CB ASP A 12 8.195 -3.174 -6.980 1.00 0.38 C ATOM 258 CG ASP A 12 8.659 -2.589 -8.296 1.00 0.45 C ATOM 259 OD1 ASP A 12 7.799 -2.155 -9.092 1.00 0.53 O ATOM 260 OD2 ASP A 12 9.884 -2.557 -8.539 1.00 0.55 O ATOM 0 H ASP A 12 7.244 -3.613 -4.753 1.00 0.31 H new ATOM 0 HA ASP A 12 9.453 -2.126 -5.587 1.00 0.31 H new ATOM 0 HB2 ASP A 12 8.743 -4.095 -6.783 1.00 0.38 H new ATOM 0 HB3 ASP A 12 7.141 -3.440 -7.056 1.00 0.38 H new ATOM 265 N GLN A 13 6.547 -0.666 -6.072 1.00 0.30 N ATOM 266 CA GLN A 13 5.905 0.587 -6.429 1.00 0.34 C ATOM 267 C GLN A 13 6.288 1.692 -5.453 1.00 0.34 C ATOM 268 O GLN A 13 6.653 2.791 -5.870 1.00 0.38 O ATOM 269 CB GLN A 13 4.385 0.422 -6.476 1.00 0.44 C ATOM 270 CG GLN A 13 3.665 1.625 -7.064 1.00 0.55 C ATOM 271 CD GLN A 13 4.132 1.946 -8.472 1.00 0.67 C ATOM 272 OE1 GLN A 13 4.526 1.057 -9.228 1.00 1.37 O ATOM 273 NE2 GLN A 13 4.100 3.218 -8.834 1.00 1.30 N ATOM 0 H GLN A 13 5.908 -1.386 -5.734 1.00 0.30 H new ATOM 0 HA GLN A 13 6.253 0.871 -7.422 1.00 0.34 H new ATOM 0 HB2 GLN A 13 4.141 -0.462 -7.065 1.00 0.44 H new ATOM 0 HB3 GLN A 13 4.015 0.244 -5.466 1.00 0.44 H new ATOM 0 HG2 GLN A 13 2.592 1.434 -7.075 1.00 0.55 H new ATOM 0 HG3 GLN A 13 3.828 2.492 -6.423 1.00 0.55 H new ATOM 0 HE21 GLN A 13 3.767 3.926 -8.180 1.00 1.30 H new ATOM 0 HE22 GLN A 13 4.408 3.491 -9.767 1.00 1.30 H new ATOM 282 N VAL A 14 6.220 1.406 -4.155 1.00 0.34 N ATOM 283 CA VAL A 14 6.571 2.404 -3.155 1.00 0.38 C ATOM 284 C VAL A 14 8.064 2.718 -3.208 1.00 0.37 C ATOM 285 O VAL A 14 8.460 3.853 -2.987 1.00 0.42 O ATOM 286 CB VAL A 14 6.162 1.997 -1.716 1.00 0.44 C ATOM 287 CG1 VAL A 14 4.656 1.818 -1.617 1.00 1.08 C ATOM 288 CG2 VAL A 14 6.879 0.736 -1.267 1.00 0.99 C ATOM 0 H VAL A 14 5.929 0.504 -3.777 1.00 0.34 H new ATOM 0 HA VAL A 14 6.001 3.299 -3.404 1.00 0.38 H new ATOM 0 HB VAL A 14 6.462 2.804 -1.048 1.00 0.44 H new ATOM 0 HG11 VAL A 14 4.390 1.532 -0.599 1.00 1.08 H new ATOM 0 HG12 VAL A 14 4.161 2.755 -1.872 1.00 1.08 H new ATOM 0 HG13 VAL A 14 4.336 1.038 -2.308 1.00 1.08 H new ATOM 0 HG21 VAL A 14 6.567 0.481 -0.254 1.00 0.99 H new ATOM 0 HG22 VAL A 14 6.629 -0.084 -1.940 1.00 0.99 H new ATOM 0 HG23 VAL A 14 7.956 0.904 -1.284 1.00 0.99 H new ATOM 298 N GLU A 15 8.880 1.717 -3.529 1.00 0.35 N ATOM 299 CA GLU A 15 10.318 1.922 -3.695 1.00 0.40 C ATOM 300 C GLU A 15 10.580 2.993 -4.751 1.00 0.40 C ATOM 301 O GLU A 15 11.342 3.939 -4.530 1.00 0.45 O ATOM 302 CB GLU A 15 10.997 0.612 -4.106 1.00 0.42 C ATOM 303 CG GLU A 15 12.497 0.741 -4.328 1.00 0.57 C ATOM 304 CD GLU A 15 13.118 -0.527 -4.873 1.00 0.68 C ATOM 305 OE1 GLU A 15 13.062 -0.741 -6.103 1.00 1.09 O ATOM 306 OE2 GLU A 15 13.678 -1.311 -4.079 1.00 0.77 O ATOM 0 H GLU A 15 8.571 0.757 -3.679 1.00 0.35 H new ATOM 0 HA GLU A 15 10.733 2.253 -2.743 1.00 0.40 H new ATOM 0 HB2 GLU A 15 10.816 -0.137 -3.335 1.00 0.42 H new ATOM 0 HB3 GLU A 15 10.534 0.245 -5.022 1.00 0.42 H new ATOM 0 HG2 GLU A 15 12.688 1.561 -5.020 1.00 0.57 H new ATOM 0 HG3 GLU A 15 12.979 1.000 -3.385 1.00 0.57 H new ATOM 313 N HIS A 16 9.924 2.843 -5.894 1.00 0.37 N ATOM 314 CA HIS A 16 10.046 3.806 -6.980 1.00 0.42 C ATOM 315 C HIS A 16 9.424 5.141 -6.593 1.00 0.41 C ATOM 316 O HIS A 16 9.959 6.203 -6.908 1.00 0.45 O ATOM 317 CB HIS A 16 9.376 3.274 -8.250 1.00 0.49 C ATOM 318 CG HIS A 16 10.177 2.239 -8.980 1.00 0.95 C ATOM 319 ND1 HIS A 16 10.017 0.884 -8.787 1.00 1.72 N ATOM 320 CD2 HIS A 16 11.136 2.370 -9.925 1.00 1.53 C ATOM 321 CE1 HIS A 16 10.844 0.228 -9.579 1.00 2.01 C ATOM 322 NE2 HIS A 16 11.532 1.107 -10.280 1.00 1.84 N ATOM 0 H HIS A 16 9.300 2.061 -6.093 1.00 0.37 H new ATOM 0 HA HIS A 16 11.108 3.957 -7.175 1.00 0.42 H new ATOM 0 HB2 HIS A 16 8.408 2.848 -7.986 1.00 0.49 H new ATOM 0 HB3 HIS A 16 9.184 4.110 -8.923 1.00 0.49 H new ATOM 0 HD1 HIS A 16 9.362 0.455 -8.134 1.00 1.72 H new ATOM 0 HD2 HIS A 16 11.518 3.297 -10.325 1.00 1.53 H new ATOM 0 HE1 HIS A 16 10.941 -0.846 -9.642 1.00 2.01 H new ATOM 331 N GLN A 17 8.297 5.082 -5.898 1.00 0.38 N ATOM 332 CA GLN A 17 7.559 6.273 -5.530 1.00 0.40 C ATOM 333 C GLN A 17 8.326 7.106 -4.504 1.00 0.38 C ATOM 334 O GLN A 17 8.478 8.316 -4.667 1.00 0.43 O ATOM 335 CB GLN A 17 6.195 5.876 -4.974 1.00 0.45 C ATOM 336 CG GLN A 17 5.273 7.054 -4.777 1.00 0.70 C ATOM 337 CD GLN A 17 4.902 7.720 -6.084 1.00 0.71 C ATOM 338 OE1 GLN A 17 5.582 8.635 -6.545 1.00 1.54 O ATOM 339 NE2 GLN A 17 3.819 7.263 -6.691 1.00 1.12 N ATOM 0 H GLN A 17 7.874 4.211 -5.577 1.00 0.38 H new ATOM 0 HA GLN A 17 7.425 6.886 -6.422 1.00 0.40 H new ATOM 0 HB2 GLN A 17 5.726 5.164 -5.653 1.00 0.45 H new ATOM 0 HB3 GLN A 17 6.332 5.365 -4.021 1.00 0.45 H new ATOM 0 HG2 GLN A 17 4.366 6.722 -4.271 1.00 0.70 H new ATOM 0 HG3 GLN A 17 5.753 7.783 -4.124 1.00 0.70 H new ATOM 0 HE21 GLN A 17 3.283 6.502 -6.274 1.00 1.12 H new ATOM 0 HE22 GLN A 17 3.520 7.672 -7.576 1.00 1.12 H new ATOM 348 N ILE A 18 8.811 6.452 -3.453 1.00 0.35 N ATOM 349 CA ILE A 18 9.562 7.128 -2.398 1.00 0.37 C ATOM 350 C ILE A 18 10.760 7.868 -2.978 1.00 0.39 C ATOM 351 O ILE A 18 11.025 9.011 -2.615 1.00 0.42 O ATOM 352 CB ILE A 18 10.045 6.133 -1.316 1.00 0.38 C ATOM 353 CG1 ILE A 18 8.847 5.538 -0.567 1.00 0.41 C ATOM 354 CG2 ILE A 18 10.999 6.812 -0.339 1.00 0.44 C ATOM 355 CD1 ILE A 18 9.219 4.417 0.381 1.00 0.45 C ATOM 0 H ILE A 18 8.697 5.449 -3.308 1.00 0.35 H new ATOM 0 HA ILE A 18 8.886 7.845 -1.931 1.00 0.37 H new ATOM 0 HB ILE A 18 10.585 5.326 -1.812 1.00 0.38 H new ATOM 0 HG12 ILE A 18 8.352 6.329 -0.004 1.00 0.41 H new ATOM 0 HG13 ILE A 18 8.125 5.164 -1.293 1.00 0.41 H new ATOM 0 HG21 ILE A 18 11.324 6.092 0.412 1.00 0.44 H new ATOM 0 HG22 ILE A 18 11.867 7.189 -0.880 1.00 0.44 H new ATOM 0 HG23 ILE A 18 10.489 7.641 0.151 1.00 0.44 H new ATOM 0 HD11 ILE A 18 8.321 4.045 0.875 1.00 0.45 H new ATOM 0 HD12 ILE A 18 9.687 3.607 -0.179 1.00 0.45 H new ATOM 0 HD13 ILE A 18 9.917 4.791 1.130 1.00 0.45 H new ATOM 367 N ALA A 19 11.460 7.218 -3.904 1.00 0.40 N ATOM 368 CA ALA A 19 12.627 7.814 -4.543 1.00 0.45 C ATOM 369 C ALA A 19 12.269 9.119 -5.254 1.00 0.47 C ATOM 370 O ALA A 19 13.034 10.084 -5.230 1.00 0.51 O ATOM 371 CB ALA A 19 13.243 6.830 -5.527 1.00 0.50 C ATOM 0 H ALA A 19 11.238 6.277 -4.228 1.00 0.40 H new ATOM 0 HA ALA A 19 13.354 8.047 -3.765 1.00 0.45 H new ATOM 0 HB1 ALA A 19 14.114 7.285 -5.999 1.00 0.50 H new ATOM 0 HB2 ALA A 19 13.547 5.928 -4.997 1.00 0.50 H new ATOM 0 HB3 ALA A 19 12.510 6.572 -6.291 1.00 0.50 H new ATOM 377 N GLN A 20 11.094 9.144 -5.871 1.00 0.46 N ATOM 378 CA GLN A 20 10.651 10.310 -6.629 1.00 0.51 C ATOM 379 C GLN A 20 10.109 11.401 -5.704 1.00 0.50 C ATOM 380 O GLN A 20 10.261 12.592 -5.977 1.00 0.55 O ATOM 381 CB GLN A 20 9.589 9.896 -7.645 1.00 0.59 C ATOM 382 CG GLN A 20 10.102 8.898 -8.669 1.00 1.19 C ATOM 383 CD GLN A 20 9.005 8.342 -9.552 1.00 1.65 C ATOM 384 OE1 GLN A 20 8.706 8.888 -10.612 1.00 2.35 O ATOM 385 NE2 GLN A 20 8.396 7.252 -9.119 1.00 2.26 N ATOM 0 H GLN A 20 10.430 8.370 -5.862 1.00 0.46 H new ATOM 0 HA GLN A 20 11.511 10.721 -7.158 1.00 0.51 H new ATOM 0 HB2 GLN A 20 8.739 9.462 -7.118 1.00 0.59 H new ATOM 0 HB3 GLN A 20 9.224 10.783 -8.162 1.00 0.59 H new ATOM 0 HG2 GLN A 20 10.854 9.380 -9.293 1.00 1.19 H new ATOM 0 HG3 GLN A 20 10.596 8.076 -8.151 1.00 1.19 H new ATOM 0 HE21 GLN A 20 8.675 6.830 -8.233 1.00 2.26 H new ATOM 0 HE22 GLN A 20 7.647 6.833 -9.671 1.00 2.26 H new ATOM 394 N VAL A 21 9.476 10.993 -4.611 1.00 0.48 N ATOM 395 CA VAL A 21 8.964 11.945 -3.629 1.00 0.54 C ATOM 396 C VAL A 21 10.116 12.570 -2.846 1.00 0.57 C ATOM 397 O VAL A 21 10.172 13.789 -2.665 1.00 0.66 O ATOM 398 CB VAL A 21 7.968 11.278 -2.654 1.00 0.60 C ATOM 399 CG1 VAL A 21 7.500 12.263 -1.591 1.00 0.69 C ATOM 400 CG2 VAL A 21 6.776 10.715 -3.413 1.00 0.63 C ATOM 0 H VAL A 21 9.305 10.014 -4.381 1.00 0.48 H new ATOM 0 HA VAL A 21 8.432 12.724 -4.174 1.00 0.54 H new ATOM 0 HB VAL A 21 8.484 10.458 -2.154 1.00 0.60 H new ATOM 0 HG11 VAL A 21 6.800 11.767 -0.918 1.00 0.69 H new ATOM 0 HG12 VAL A 21 8.359 12.620 -1.022 1.00 0.69 H new ATOM 0 HG13 VAL A 21 7.006 13.108 -2.070 1.00 0.69 H new ATOM 0 HG21 VAL A 21 6.085 10.249 -2.711 1.00 0.63 H new ATOM 0 HG22 VAL A 21 6.268 11.521 -3.942 1.00 0.63 H new ATOM 0 HG23 VAL A 21 7.120 9.971 -4.131 1.00 0.63 H new ATOM 410 N LEU A 22 11.039 11.730 -2.395 1.00 0.54 N ATOM 411 CA LEU A 22 12.220 12.187 -1.685 1.00 0.61 C ATOM 412 C LEU A 22 13.069 13.083 -2.581 1.00 0.61 C ATOM 413 O LEU A 22 13.606 14.097 -2.133 1.00 0.68 O ATOM 414 CB LEU A 22 13.040 10.985 -1.214 1.00 0.66 C ATOM 415 CG LEU A 22 14.109 11.300 -0.174 1.00 0.84 C ATOM 416 CD1 LEU A 22 13.466 11.915 1.055 1.00 1.67 C ATOM 417 CD2 LEU A 22 14.879 10.041 0.193 1.00 1.08 C ATOM 0 H LEU A 22 10.988 10.718 -2.512 1.00 0.54 H new ATOM 0 HA LEU A 22 11.905 12.766 -0.817 1.00 0.61 H new ATOM 0 HB2 LEU A 22 12.360 10.241 -0.800 1.00 0.66 H new ATOM 0 HB3 LEU A 22 13.521 10.531 -2.080 1.00 0.66 H new ATOM 0 HG LEU A 22 14.814 12.017 -0.595 1.00 0.84 H new ATOM 0 HD11 LEU A 22 14.235 12.138 1.795 1.00 1.67 H new ATOM 0 HD12 LEU A 22 12.954 12.836 0.775 1.00 1.67 H new ATOM 0 HD13 LEU A 22 12.747 11.214 1.479 1.00 1.67 H new ATOM 0 HD21 LEU A 22 15.639 10.283 0.936 1.00 1.08 H new ATOM 0 HD22 LEU A 22 14.192 9.301 0.603 1.00 1.08 H new ATOM 0 HD23 LEU A 22 15.359 9.636 -0.698 1.00 1.08 H new ATOM 429 N GLY A 23 13.173 12.704 -3.852 1.00 0.61 N ATOM 430 CA GLY A 23 13.912 13.501 -4.813 1.00 0.73 C ATOM 431 C GLY A 23 13.316 14.884 -4.988 1.00 0.81 C ATOM 432 O GLY A 23 14.043 15.870 -5.098 1.00 0.94 O ATOM 0 H GLY A 23 12.756 11.855 -4.234 1.00 0.61 H new ATOM 0 HA2 GLY A 23 14.948 13.592 -4.487 1.00 0.73 H new ATOM 0 HA3 GLY A 23 13.925 12.988 -5.775 1.00 0.73 H new ATOM 436 N ALA A 24 11.989 14.960 -4.992 1.00 0.80 N ATOM 437 CA ALA A 24 11.291 16.237 -5.119 1.00 0.96 C ATOM 438 C ALA A 24 11.484 17.095 -3.871 1.00 1.01 C ATOM 439 O ALA A 24 11.372 18.321 -3.921 1.00 1.19 O ATOM 440 CB ALA A 24 9.812 16.006 -5.385 1.00 1.00 C ATOM 0 H ALA A 24 11.373 14.151 -4.909 1.00 0.80 H new ATOM 0 HA ALA A 24 11.718 16.775 -5.965 1.00 0.96 H new ATOM 0 HB1 ALA A 24 9.305 16.966 -5.477 1.00 1.00 H new ATOM 0 HB2 ALA A 24 9.692 15.442 -6.310 1.00 1.00 H new ATOM 0 HB3 ALA A 24 9.377 15.444 -4.559 1.00 1.00 H new ATOM 446 N LYS A 25 11.772 16.446 -2.750 1.00 0.92 N ATOM 447 CA LYS A 25 12.036 17.154 -1.509 1.00 1.04 C ATOM 448 C LYS A 25 13.487 17.623 -1.462 1.00 1.06 C ATOM 449 O LYS A 25 13.802 18.665 -0.884 1.00 1.18 O ATOM 450 CB LYS A 25 11.733 16.256 -0.302 1.00 1.07 C ATOM 451 CG LYS A 25 12.030 16.918 1.032 1.00 1.46 C ATOM 452 CD LYS A 25 11.700 16.010 2.205 1.00 1.98 C ATOM 453 CE LYS A 25 11.982 16.702 3.530 1.00 2.56 C ATOM 454 NZ LYS A 25 11.660 15.836 4.693 1.00 3.21 N ATOM 0 H LYS A 25 11.828 15.430 -2.677 1.00 0.92 H new ATOM 0 HA LYS A 25 11.384 18.026 -1.467 1.00 1.04 H new ATOM 0 HB2 LYS A 25 10.683 15.966 -0.329 1.00 1.07 H new ATOM 0 HB3 LYS A 25 12.319 15.341 -0.383 1.00 1.07 H new ATOM 0 HG2 LYS A 25 13.084 17.194 1.073 1.00 1.46 H new ATOM 0 HG3 LYS A 25 11.455 17.840 1.115 1.00 1.46 H new ATOM 0 HD2 LYS A 25 10.651 15.719 2.159 1.00 1.98 H new ATOM 0 HD3 LYS A 25 12.288 15.095 2.137 1.00 1.98 H new ATOM 0 HE2 LYS A 25 13.033 16.989 3.572 1.00 2.56 H new ATOM 0 HE3 LYS A 25 11.398 17.621 3.590 1.00 2.56 H new ATOM 0 HZ1 LYS A 25 12.150 16.193 5.538 1.00 3.21 H new ATOM 0 HZ2 LYS A 25 10.633 15.844 4.858 1.00 3.21 H new ATOM 0 HZ3 LYS A 25 11.971 14.863 4.498 1.00 3.21 H new ATOM 468 N GLY A 26 14.363 16.852 -2.086 1.00 1.00 N ATOM 469 CA GLY A 26 15.773 17.185 -2.092 1.00 1.09 C ATOM 470 C GLY A 26 16.572 16.278 -1.182 1.00 1.08 C ATOM 471 O GLY A 26 17.715 16.576 -0.844 1.00 1.22 O ATOM 0 H GLY A 26 14.123 15.999 -2.590 1.00 1.00 H new ATOM 0 HA2 GLY A 26 16.159 17.110 -3.109 1.00 1.09 H new ATOM 0 HA3 GLY A 26 15.903 18.220 -1.777 1.00 1.09 H new ATOM 475 N GLY A 27 15.969 15.166 -0.789 1.00 0.99 N ATOM 476 CA GLY A 27 16.645 14.226 0.078 1.00 1.09 C ATOM 477 C GLY A 27 17.495 13.250 -0.706 1.00 1.07 C ATOM 478 O GLY A 27 17.136 12.877 -1.825 1.00 1.10 O ATOM 0 H GLY A 27 15.022 14.898 -1.056 1.00 0.99 H new ATOM 0 HA2 GLY A 27 17.273 14.769 0.784 1.00 1.09 H new ATOM 0 HA3 GLY A 27 15.908 13.677 0.664 1.00 1.09 H new ATOM 482 N PRO A 28 18.645 12.835 -0.156 1.00 1.17 N ATOM 483 CA PRO A 28 19.530 11.870 -0.813 1.00 1.26 C ATOM 484 C PRO A 28 18.906 10.482 -0.880 1.00 1.05 C ATOM 485 O PRO A 28 18.193 10.065 0.037 1.00 0.97 O ATOM 486 CB PRO A 28 20.775 11.859 0.075 1.00 1.49 C ATOM 487 CG PRO A 28 20.290 12.298 1.412 1.00 1.64 C ATOM 488 CD PRO A 28 19.173 13.269 1.149 1.00 1.36 C ATOM 0 HA PRO A 28 19.740 12.143 -1.847 1.00 1.26 H new ATOM 0 HB2 PRO A 28 21.219 10.865 0.122 1.00 1.49 H new ATOM 0 HB3 PRO A 28 21.541 12.533 -0.309 1.00 1.49 H new ATOM 0 HG2 PRO A 28 19.939 11.449 1.998 1.00 1.64 H new ATOM 0 HG3 PRO A 28 21.091 12.769 1.982 1.00 1.64 H new ATOM 0 HD2 PRO A 28 18.410 13.224 1.926 1.00 1.36 H new ATOM 0 HD3 PRO A 28 19.534 14.297 1.115 1.00 1.36 H new ATOM 496 N LEU A 29 19.175 9.771 -1.960 1.00 1.10 N ATOM 497 CA LEU A 29 18.598 8.458 -2.165 1.00 1.03 C ATOM 498 C LEU A 29 19.383 7.400 -1.394 1.00 0.95 C ATOM 499 O LEU A 29 20.548 7.129 -1.698 1.00 1.15 O ATOM 500 CB LEU A 29 18.571 8.124 -3.658 1.00 1.31 C ATOM 501 CG LEU A 29 17.861 6.820 -4.023 1.00 1.88 C ATOM 502 CD1 LEU A 29 16.397 6.875 -3.618 1.00 2.51 C ATOM 503 CD2 LEU A 29 17.987 6.550 -5.512 1.00 2.28 C ATOM 0 H LEU A 29 19.792 10.083 -2.710 1.00 1.10 H new ATOM 0 HA LEU A 29 17.575 8.464 -1.789 1.00 1.03 H new ATOM 0 HB2 LEU A 29 18.086 8.943 -4.188 1.00 1.31 H new ATOM 0 HB3 LEU A 29 19.598 8.073 -4.021 1.00 1.31 H new ATOM 0 HG LEU A 29 18.338 6.005 -3.478 1.00 1.88 H new ATOM 0 HD11 LEU A 29 15.910 5.938 -3.886 1.00 2.51 H new ATOM 0 HD12 LEU A 29 16.323 7.027 -2.541 1.00 2.51 H new ATOM 0 HD13 LEU A 29 15.907 7.700 -4.136 1.00 2.51 H new ATOM 0 HD21 LEU A 29 17.477 5.619 -5.757 1.00 2.28 H new ATOM 0 HD22 LEU A 29 17.534 7.370 -6.070 1.00 2.28 H new ATOM 0 HD23 LEU A 29 19.041 6.468 -5.779 1.00 2.28 H new ATOM 515 N VAL A 30 18.744 6.825 -0.386 1.00 0.79 N ATOM 516 CA VAL A 30 19.366 5.793 0.431 1.00 0.80 C ATOM 517 C VAL A 30 18.706 4.440 0.188 1.00 0.73 C ATOM 518 O VAL A 30 17.753 4.335 -0.590 1.00 0.75 O ATOM 519 CB VAL A 30 19.295 6.139 1.935 1.00 0.94 C ATOM 520 CG1 VAL A 30 20.157 7.353 2.243 1.00 1.34 C ATOM 521 CG2 VAL A 30 17.857 6.379 2.368 1.00 1.18 C ATOM 0 H VAL A 30 17.789 7.057 -0.113 1.00 0.79 H new ATOM 0 HA VAL A 30 20.415 5.740 0.138 1.00 0.80 H new ATOM 0 HB VAL A 30 19.681 5.290 2.499 1.00 0.94 H new ATOM 0 HG11 VAL A 30 20.095 7.583 3.307 1.00 1.34 H new ATOM 0 HG12 VAL A 30 21.193 7.141 1.977 1.00 1.34 H new ATOM 0 HG13 VAL A 30 19.802 8.207 1.666 1.00 1.34 H new ATOM 0 HG21 VAL A 30 17.833 6.621 3.431 1.00 1.18 H new ATOM 0 HG22 VAL A 30 17.439 7.208 1.797 1.00 1.18 H new ATOM 0 HG23 VAL A 30 17.268 5.480 2.187 1.00 1.18 H new ATOM 531 N ALA A 31 19.212 3.412 0.853 1.00 0.80 N ATOM 532 CA ALA A 31 18.707 2.059 0.676 1.00 0.79 C ATOM 533 C ALA A 31 17.367 1.874 1.378 1.00 0.65 C ATOM 534 O ALA A 31 17.310 1.715 2.599 1.00 0.73 O ATOM 535 CB ALA A 31 19.721 1.047 1.187 1.00 0.98 C ATOM 0 H ALA A 31 19.976 3.490 1.524 1.00 0.80 H new ATOM 0 HA ALA A 31 18.551 1.893 -0.390 1.00 0.79 H new ATOM 0 HB1 ALA A 31 19.330 0.039 1.049 1.00 0.98 H new ATOM 0 HB2 ALA A 31 20.653 1.154 0.633 1.00 0.98 H new ATOM 0 HB3 ALA A 31 19.907 1.222 2.247 1.00 0.98 H new ATOM 541 N VAL A 32 16.293 1.896 0.604 1.00 0.55 N ATOM 542 CA VAL A 32 14.957 1.723 1.147 1.00 0.49 C ATOM 543 C VAL A 32 14.604 0.238 1.231 1.00 0.36 C ATOM 544 O VAL A 32 14.718 -0.500 0.251 1.00 0.44 O ATOM 545 CB VAL A 32 13.895 2.484 0.312 1.00 0.65 C ATOM 546 CG1 VAL A 32 13.947 2.079 -1.154 1.00 1.12 C ATOM 547 CG2 VAL A 32 12.500 2.264 0.880 1.00 1.31 C ATOM 0 H VAL A 32 16.322 2.033 -0.406 1.00 0.55 H new ATOM 0 HA VAL A 32 14.952 2.146 2.151 1.00 0.49 H new ATOM 0 HB VAL A 32 14.128 3.547 0.373 1.00 0.65 H new ATOM 0 HG11 VAL A 32 13.190 2.631 -1.711 1.00 1.12 H new ATOM 0 HG12 VAL A 32 14.933 2.306 -1.559 1.00 1.12 H new ATOM 0 HG13 VAL A 32 13.755 1.010 -1.243 1.00 1.12 H new ATOM 0 HG21 VAL A 32 11.772 2.808 0.278 1.00 1.31 H new ATOM 0 HG22 VAL A 32 12.264 1.200 0.862 1.00 1.31 H new ATOM 0 HG23 VAL A 32 12.464 2.627 1.907 1.00 1.31 H new ATOM 557 N GLU A 33 14.208 -0.201 2.416 1.00 0.37 N ATOM 558 CA GLU A 33 13.834 -1.591 2.629 1.00 0.44 C ATOM 559 C GLU A 33 12.395 -1.683 3.110 1.00 0.42 C ATOM 560 O GLU A 33 11.775 -0.663 3.414 1.00 0.46 O ATOM 561 CB GLU A 33 14.753 -2.250 3.652 1.00 0.64 C ATOM 562 CG GLU A 33 16.221 -2.226 3.273 1.00 0.73 C ATOM 563 CD GLU A 33 17.093 -2.771 4.378 1.00 1.23 C ATOM 564 OE1 GLU A 33 17.440 -3.968 4.322 1.00 1.28 O ATOM 565 OE2 GLU A 33 17.452 -2.006 5.294 1.00 2.05 O ATOM 0 H GLU A 33 14.137 0.387 3.247 1.00 0.37 H new ATOM 0 HA GLU A 33 13.932 -2.114 1.678 1.00 0.44 H new ATOM 0 HB2 GLU A 33 14.629 -1.749 4.612 1.00 0.64 H new ATOM 0 HB3 GLU A 33 14.442 -3.285 3.790 1.00 0.64 H new ATOM 0 HG2 GLU A 33 16.372 -2.813 2.367 1.00 0.73 H new ATOM 0 HG3 GLU A 33 16.521 -1.203 3.044 1.00 0.73 H new ATOM 572 N ILE A 34 11.873 -2.893 3.204 1.00 0.44 N ATOM 573 CA ILE A 34 10.495 -3.088 3.627 1.00 0.45 C ATOM 574 C ILE A 34 10.343 -2.833 5.131 1.00 0.36 C ATOM 575 O ILE A 34 9.339 -2.281 5.581 1.00 0.41 O ATOM 576 CB ILE A 34 9.983 -4.504 3.251 1.00 0.58 C ATOM 577 CG1 ILE A 34 8.496 -4.651 3.575 1.00 0.65 C ATOM 578 CG2 ILE A 34 10.788 -5.589 3.948 1.00 0.63 C ATOM 579 CD1 ILE A 34 7.602 -3.764 2.736 1.00 0.70 C ATOM 0 H ILE A 34 12.379 -3.753 2.994 1.00 0.44 H new ATOM 0 HA ILE A 34 9.880 -2.362 3.095 1.00 0.45 H new ATOM 0 HB ILE A 34 10.116 -4.625 2.176 1.00 0.58 H new ATOM 0 HG12 ILE A 34 8.202 -5.690 3.429 1.00 0.65 H new ATOM 0 HG13 ILE A 34 8.338 -4.420 4.628 1.00 0.65 H new ATOM 0 HG21 ILE A 34 10.403 -6.568 3.662 1.00 0.63 H new ATOM 0 HG22 ILE A 34 11.835 -5.511 3.654 1.00 0.63 H new ATOM 0 HG23 ILE A 34 10.704 -5.467 5.028 1.00 0.63 H new ATOM 0 HD11 ILE A 34 6.562 -3.922 3.021 1.00 0.70 H new ATOM 0 HD12 ILE A 34 7.869 -2.720 2.900 1.00 0.70 H new ATOM 0 HD13 ILE A 34 7.731 -4.010 1.682 1.00 0.70 H new ATOM 591 N ASP A 35 11.365 -3.192 5.901 1.00 0.37 N ATOM 592 CA ASP A 35 11.330 -3.003 7.349 1.00 0.39 C ATOM 593 C ASP A 35 12.004 -1.691 7.733 1.00 0.38 C ATOM 594 O ASP A 35 12.357 -1.474 8.893 1.00 0.50 O ATOM 595 CB ASP A 35 12.019 -4.163 8.077 1.00 0.54 C ATOM 596 CG ASP A 35 11.398 -5.513 7.777 1.00 1.44 C ATOM 597 OD1 ASP A 35 10.235 -5.742 8.182 1.00 2.03 O ATOM 598 OD2 ASP A 35 12.054 -6.350 7.121 1.00 2.28 O ATOM 0 H ASP A 35 12.225 -3.614 5.550 1.00 0.37 H new ATOM 0 HA ASP A 35 10.283 -2.974 7.651 1.00 0.39 H new ATOM 0 HB2 ASP A 35 13.072 -4.185 7.796 1.00 0.54 H new ATOM 0 HB3 ASP A 35 11.979 -3.983 9.151 1.00 0.54 H new ATOM 603 N SER A 36 12.177 -0.817 6.753 1.00 0.38 N ATOM 604 CA SER A 36 12.833 0.460 6.976 1.00 0.43 C ATOM 605 C SER A 36 11.823 1.494 7.467 1.00 0.32 C ATOM 606 O SER A 36 10.647 1.450 7.097 1.00 0.32 O ATOM 607 CB SER A 36 13.508 0.932 5.684 1.00 0.56 C ATOM 608 OG SER A 36 14.327 2.068 5.905 1.00 1.17 O ATOM 0 H SER A 36 11.870 -0.971 5.792 1.00 0.38 H new ATOM 0 HA SER A 36 13.598 0.339 7.743 1.00 0.43 H new ATOM 0 HB2 SER A 36 14.111 0.123 5.272 1.00 0.56 H new ATOM 0 HB3 SER A 36 12.746 1.171 4.942 1.00 0.56 H new ATOM 0 HG SER A 36 14.975 2.151 5.175 1.00 1.17 H new ATOM 614 N ARG A 37 12.282 2.403 8.314 1.00 0.35 N ATOM 615 CA ARG A 37 11.434 3.452 8.858 1.00 0.36 C ATOM 616 C ARG A 37 11.584 4.724 8.037 1.00 0.37 C ATOM 617 O ARG A 37 12.696 5.179 7.770 1.00 0.43 O ATOM 618 CB ARG A 37 11.805 3.725 10.318 1.00 0.46 C ATOM 619 CG ARG A 37 11.634 2.518 11.227 1.00 0.52 C ATOM 620 CD ARG A 37 11.995 2.846 12.664 1.00 0.82 C ATOM 621 NE ARG A 37 11.818 1.695 13.547 1.00 1.56 N ATOM 622 CZ ARG A 37 11.835 1.762 14.876 1.00 2.14 C ATOM 623 NH1 ARG A 37 12.026 2.926 15.486 1.00 2.14 N ATOM 624 NH2 ARG A 37 11.661 0.661 15.593 1.00 3.15 N ATOM 0 H ARG A 37 13.247 2.434 8.642 1.00 0.35 H new ATOM 0 HA ARG A 37 10.396 3.123 8.813 1.00 0.36 H new ATOM 0 HB2 ARG A 37 12.841 4.060 10.364 1.00 0.46 H new ATOM 0 HB3 ARG A 37 11.189 4.542 10.694 1.00 0.46 H new ATOM 0 HG2 ARG A 37 10.602 2.170 11.181 1.00 0.52 H new ATOM 0 HG3 ARG A 37 12.262 1.701 10.871 1.00 0.52 H new ATOM 0 HD2 ARG A 37 13.031 3.183 12.710 1.00 0.82 H new ATOM 0 HD3 ARG A 37 11.375 3.671 13.015 1.00 0.82 H new ATOM 0 HE ARG A 37 11.672 0.782 13.117 1.00 1.56 H new ATOM 0 HH11 ARG A 37 12.161 3.774 14.936 1.00 2.14 H new ATOM 0 HH12 ARG A 37 12.038 2.972 16.505 1.00 2.14 H new ATOM 0 HH21 ARG A 37 11.515 -0.234 15.126 1.00 3.15 H new ATOM 0 HH22 ARG A 37 11.673 0.709 16.612 1.00 3.15 H new ATOM 638 N PHE A 38 10.444 5.296 7.654 1.00 0.37 N ATOM 639 CA PHE A 38 10.402 6.463 6.772 1.00 0.40 C ATOM 640 C PHE A 38 11.154 7.648 7.364 1.00 0.44 C ATOM 641 O PHE A 38 11.719 8.463 6.633 1.00 0.50 O ATOM 642 CB PHE A 38 8.956 6.875 6.501 1.00 0.41 C ATOM 643 CG PHE A 38 8.158 5.865 5.724 1.00 0.39 C ATOM 644 CD1 PHE A 38 7.234 5.053 6.359 1.00 0.40 C ATOM 645 CD2 PHE A 38 8.319 5.746 4.355 1.00 0.48 C ATOM 646 CE1 PHE A 38 6.486 4.141 5.641 1.00 0.45 C ATOM 647 CE2 PHE A 38 7.575 4.834 3.632 1.00 0.54 C ATOM 648 CZ PHE A 38 6.657 4.033 4.276 1.00 0.50 C ATOM 0 H PHE A 38 9.524 4.965 7.945 1.00 0.37 H new ATOM 0 HA PHE A 38 10.888 6.176 5.839 1.00 0.40 H new ATOM 0 HB2 PHE A 38 8.459 7.058 7.453 1.00 0.41 H new ATOM 0 HB3 PHE A 38 8.956 7.818 5.955 1.00 0.41 H new ATOM 0 HD1 PHE A 38 7.097 5.134 7.427 1.00 0.40 H new ATOM 0 HD2 PHE A 38 9.035 6.374 3.845 1.00 0.48 H new ATOM 0 HE1 PHE A 38 5.768 3.513 6.147 1.00 0.45 H new ATOM 0 HE2 PHE A 38 7.712 4.749 2.564 1.00 0.54 H new ATOM 0 HZ PHE A 38 6.072 3.321 3.713 1.00 0.50 H new ATOM 658 N SER A 39 11.152 7.740 8.687 1.00 0.52 N ATOM 659 CA SER A 39 11.814 8.831 9.383 1.00 0.63 C ATOM 660 C SER A 39 13.318 8.837 9.085 1.00 0.56 C ATOM 661 O SER A 39 13.932 9.897 8.972 1.00 0.56 O ATOM 662 CB SER A 39 11.560 8.712 10.889 1.00 0.83 C ATOM 663 OG SER A 39 12.080 9.824 11.599 1.00 1.63 O ATOM 0 H SER A 39 10.695 7.066 9.302 1.00 0.52 H new ATOM 0 HA SER A 39 11.402 9.776 9.028 1.00 0.63 H new ATOM 0 HB2 SER A 39 10.488 8.632 11.072 1.00 0.83 H new ATOM 0 HB3 SER A 39 12.016 7.796 11.264 1.00 0.83 H new ATOM 0 HG SER A 39 11.899 9.715 12.556 1.00 1.63 H new ATOM 669 N ASP A 40 13.893 7.650 8.918 1.00 0.61 N ATOM 670 CA ASP A 40 15.325 7.518 8.657 1.00 0.66 C ATOM 671 C ASP A 40 15.681 8.045 7.272 1.00 0.62 C ATOM 672 O ASP A 40 16.752 8.617 7.071 1.00 0.72 O ATOM 673 CB ASP A 40 15.759 6.056 8.787 1.00 0.83 C ATOM 674 CG ASP A 40 17.224 5.853 8.461 1.00 1.35 C ATOM 675 OD1 ASP A 40 17.531 5.392 7.342 1.00 2.20 O ATOM 676 OD2 ASP A 40 18.078 6.146 9.327 1.00 1.62 O ATOM 0 H ASP A 40 13.390 6.764 8.959 1.00 0.61 H new ATOM 0 HA ASP A 40 15.857 8.114 9.398 1.00 0.66 H new ATOM 0 HB2 ASP A 40 15.566 5.712 9.803 1.00 0.83 H new ATOM 0 HB3 ASP A 40 15.154 5.440 8.122 1.00 0.83 H new ATOM 681 N LEU A 41 14.766 7.868 6.326 1.00 0.58 N ATOM 682 CA LEU A 41 14.990 8.300 4.948 1.00 0.64 C ATOM 683 C LEU A 41 14.812 9.810 4.816 1.00 0.61 C ATOM 684 O LEU A 41 15.064 10.387 3.756 1.00 0.75 O ATOM 685 CB LEU A 41 14.038 7.578 3.982 1.00 0.71 C ATOM 686 CG LEU A 41 14.359 6.103 3.696 1.00 0.76 C ATOM 687 CD1 LEU A 41 14.111 5.236 4.920 1.00 1.44 C ATOM 688 CD2 LEU A 41 13.537 5.601 2.521 1.00 1.39 C ATOM 0 H LEU A 41 13.860 7.428 6.487 1.00 0.58 H new ATOM 0 HA LEU A 41 16.016 8.042 4.685 1.00 0.64 H new ATOM 0 HB2 LEU A 41 13.028 7.637 4.387 1.00 0.71 H new ATOM 0 HB3 LEU A 41 14.034 8.118 3.035 1.00 0.71 H new ATOM 0 HG LEU A 41 15.417 6.034 3.444 1.00 0.76 H new ATOM 0 HD11 LEU A 41 14.347 4.198 4.685 1.00 1.44 H new ATOM 0 HD12 LEU A 41 14.743 5.575 5.740 1.00 1.44 H new ATOM 0 HD13 LEU A 41 13.064 5.312 5.214 1.00 1.44 H new ATOM 0 HD21 LEU A 41 13.776 4.555 2.331 1.00 1.39 H new ATOM 0 HD22 LEU A 41 12.476 5.695 2.753 1.00 1.39 H new ATOM 0 HD23 LEU A 41 13.769 6.193 1.636 1.00 1.39 H new ATOM 700 N GLY A 42 14.385 10.446 5.896 1.00 0.52 N ATOM 701 CA GLY A 42 14.171 11.877 5.874 1.00 0.56 C ATOM 702 C GLY A 42 12.749 12.228 5.497 1.00 0.47 C ATOM 703 O GLY A 42 12.491 13.278 4.909 1.00 0.51 O ATOM 0 H GLY A 42 14.183 9.996 6.789 1.00 0.52 H new ATOM 0 HA2 GLY A 42 14.400 12.294 6.855 1.00 0.56 H new ATOM 0 HA3 GLY A 42 14.859 12.336 5.164 1.00 0.56 H new ATOM 707 N LEU A 43 11.827 11.337 5.819 1.00 0.45 N ATOM 708 CA LEU A 43 10.417 11.573 5.566 1.00 0.40 C ATOM 709 C LEU A 43 9.698 11.837 6.878 1.00 0.41 C ATOM 710 O LEU A 43 9.708 11.000 7.781 1.00 0.53 O ATOM 711 CB LEU A 43 9.795 10.373 4.852 1.00 0.40 C ATOM 712 CG LEU A 43 10.358 10.083 3.459 1.00 0.51 C ATOM 713 CD1 LEU A 43 9.862 8.740 2.955 1.00 1.05 C ATOM 714 CD2 LEU A 43 9.972 11.186 2.485 1.00 1.09 C ATOM 0 H LEU A 43 12.032 10.439 6.258 1.00 0.45 H new ATOM 0 HA LEU A 43 10.314 12.446 4.922 1.00 0.40 H new ATOM 0 HB2 LEU A 43 9.933 9.488 5.474 1.00 0.40 H new ATOM 0 HB3 LEU A 43 8.721 10.538 4.766 1.00 0.40 H new ATOM 0 HG LEU A 43 11.445 10.049 3.530 1.00 0.51 H new ATOM 0 HD11 LEU A 43 10.272 8.550 1.963 1.00 1.05 H new ATOM 0 HD12 LEU A 43 10.184 7.954 3.638 1.00 1.05 H new ATOM 0 HD13 LEU A 43 8.773 8.751 2.902 1.00 1.05 H new ATOM 0 HD21 LEU A 43 10.382 10.962 1.500 1.00 1.09 H new ATOM 0 HD22 LEU A 43 8.886 11.250 2.420 1.00 1.09 H new ATOM 0 HD23 LEU A 43 10.372 12.137 2.836 1.00 1.09 H new ATOM 726 N SER A 44 9.105 13.010 6.997 1.00 0.45 N ATOM 727 CA SER A 44 8.381 13.370 8.201 1.00 0.54 C ATOM 728 C SER A 44 6.891 13.105 8.019 1.00 0.50 C ATOM 729 O SER A 44 6.477 12.572 6.989 1.00 0.42 O ATOM 730 CB SER A 44 8.627 14.841 8.539 1.00 0.67 C ATOM 731 OG SER A 44 8.218 15.686 7.475 1.00 1.66 O ATOM 0 H SER A 44 9.111 13.730 6.274 1.00 0.45 H new ATOM 0 HA SER A 44 8.741 12.758 9.028 1.00 0.54 H new ATOM 0 HB2 SER A 44 8.083 15.105 9.446 1.00 0.67 H new ATOM 0 HB3 SER A 44 9.686 14.998 8.745 1.00 0.67 H new ATOM 0 HG SER A 44 8.867 15.627 6.743 1.00 1.66 H new ATOM 737 N SER A 45 6.088 13.482 9.006 1.00 0.62 N ATOM 738 CA SER A 45 4.649 13.282 8.937 1.00 0.65 C ATOM 739 C SER A 45 4.059 13.993 7.720 1.00 0.52 C ATOM 740 O SER A 45 3.210 13.442 7.019 1.00 0.51 O ATOM 741 CB SER A 45 4.002 13.793 10.221 1.00 0.84 C ATOM 742 OG SER A 45 4.632 13.219 11.354 1.00 1.55 O ATOM 0 H SER A 45 6.411 13.928 9.864 1.00 0.62 H new ATOM 0 HA SER A 45 4.445 12.216 8.832 1.00 0.65 H new ATOM 0 HB2 SER A 45 4.077 14.879 10.266 1.00 0.84 H new ATOM 0 HB3 SER A 45 2.940 13.547 10.224 1.00 0.84 H new ATOM 0 HG SER A 45 4.208 13.557 12.170 1.00 1.55 H new ATOM 748 N LEU A 46 4.541 15.204 7.460 1.00 0.52 N ATOM 749 CA LEU A 46 4.088 15.986 6.314 1.00 0.50 C ATOM 750 C LEU A 46 4.440 15.278 5.008 1.00 0.44 C ATOM 751 O LEU A 46 3.632 15.215 4.081 1.00 0.48 O ATOM 752 CB LEU A 46 4.725 17.378 6.333 1.00 0.65 C ATOM 753 CG LEU A 46 4.267 18.320 5.217 1.00 1.51 C ATOM 754 CD1 LEU A 46 2.818 18.732 5.423 1.00 2.22 C ATOM 755 CD2 LEU A 46 5.168 19.542 5.148 1.00 2.00 C ATOM 0 H LEU A 46 5.249 15.667 8.030 1.00 0.52 H new ATOM 0 HA LEU A 46 3.005 16.088 6.379 1.00 0.50 H new ATOM 0 HB2 LEU A 46 4.508 17.846 7.293 1.00 0.65 H new ATOM 0 HB3 LEU A 46 5.807 17.266 6.270 1.00 0.65 H new ATOM 0 HG LEU A 46 4.338 17.788 4.268 1.00 1.51 H new ATOM 0 HD11 LEU A 46 2.512 19.401 4.619 1.00 2.22 H new ATOM 0 HD12 LEU A 46 2.184 17.846 5.418 1.00 2.22 H new ATOM 0 HD13 LEU A 46 2.718 19.245 6.380 1.00 2.22 H new ATOM 0 HD21 LEU A 46 4.827 20.201 4.349 1.00 2.00 H new ATOM 0 HD22 LEU A 46 5.131 20.075 6.098 1.00 2.00 H new ATOM 0 HD23 LEU A 46 6.192 19.228 4.947 1.00 2.00 H new ATOM 767 N ASP A 47 5.651 14.731 4.953 1.00 0.42 N ATOM 768 CA ASP A 47 6.119 14.026 3.766 1.00 0.41 C ATOM 769 C ASP A 47 5.314 12.753 3.562 1.00 0.36 C ATOM 770 O ASP A 47 4.957 12.401 2.438 1.00 0.38 O ATOM 771 CB ASP A 47 7.608 13.682 3.876 1.00 0.50 C ATOM 772 CG ASP A 47 8.486 14.901 4.068 1.00 0.75 C ATOM 773 OD1 ASP A 47 8.525 15.764 3.171 1.00 0.89 O ATOM 774 OD2 ASP A 47 9.152 14.999 5.119 1.00 1.11 O ATOM 0 H ASP A 47 6.326 14.763 5.717 1.00 0.42 H new ATOM 0 HA ASP A 47 5.981 14.685 2.909 1.00 0.41 H new ATOM 0 HB2 ASP A 47 7.756 12.999 4.713 1.00 0.50 H new ATOM 0 HB3 ASP A 47 7.921 13.155 2.975 1.00 0.50 H new ATOM 779 N LEU A 48 5.021 12.069 4.662 1.00 0.39 N ATOM 780 CA LEU A 48 4.209 10.863 4.618 1.00 0.46 C ATOM 781 C LEU A 48 2.787 11.181 4.186 1.00 0.47 C ATOM 782 O LEU A 48 2.194 10.436 3.415 1.00 0.51 O ATOM 783 CB LEU A 48 4.203 10.160 5.975 1.00 0.56 C ATOM 784 CG LEU A 48 5.485 9.401 6.315 1.00 0.74 C ATOM 785 CD1 LEU A 48 5.394 8.793 7.706 1.00 1.35 C ATOM 786 CD2 LEU A 48 5.743 8.321 5.277 1.00 1.42 C ATOM 0 H LEU A 48 5.335 12.331 5.596 1.00 0.39 H new ATOM 0 HA LEU A 48 4.652 10.192 3.882 1.00 0.46 H new ATOM 0 HB2 LEU A 48 4.022 10.903 6.751 1.00 0.56 H new ATOM 0 HB3 LEU A 48 3.367 9.461 6.002 1.00 0.56 H new ATOM 0 HG LEU A 48 6.319 10.103 6.304 1.00 0.74 H new ATOM 0 HD11 LEU A 48 6.316 8.257 7.930 1.00 1.35 H new ATOM 0 HD12 LEU A 48 5.247 9.585 8.440 1.00 1.35 H new ATOM 0 HD13 LEU A 48 4.553 8.101 7.746 1.00 1.35 H new ATOM 0 HD21 LEU A 48 6.659 7.786 5.528 1.00 1.42 H new ATOM 0 HD22 LEU A 48 4.907 7.622 5.263 1.00 1.42 H new ATOM 0 HD23 LEU A 48 5.849 8.779 4.294 1.00 1.42 H new ATOM 798 N ALA A 49 2.252 12.292 4.677 1.00 0.47 N ATOM 799 CA ALA A 49 0.924 12.740 4.278 1.00 0.55 C ATOM 800 C ALA A 49 0.847 12.880 2.763 1.00 0.50 C ATOM 801 O ALA A 49 -0.131 12.475 2.136 1.00 0.55 O ATOM 802 CB ALA A 49 0.584 14.060 4.957 1.00 0.63 C ATOM 0 H ALA A 49 2.717 12.899 5.352 1.00 0.47 H new ATOM 0 HA ALA A 49 0.194 11.994 4.593 1.00 0.55 H new ATOM 0 HB1 ALA A 49 -0.411 14.382 4.649 1.00 0.63 H new ATOM 0 HB2 ALA A 49 0.604 13.928 6.039 1.00 0.63 H new ATOM 0 HB3 ALA A 49 1.315 14.816 4.670 1.00 0.63 H new ATOM 808 N THR A 50 1.900 13.433 2.180 1.00 0.45 N ATOM 809 CA THR A 50 1.994 13.565 0.735 1.00 0.45 C ATOM 810 C THR A 50 2.187 12.200 0.076 1.00 0.39 C ATOM 811 O THR A 50 1.526 11.877 -0.911 1.00 0.40 O ATOM 812 CB THR A 50 3.155 14.501 0.356 1.00 0.51 C ATOM 813 OG1 THR A 50 2.939 15.786 0.954 1.00 0.58 O ATOM 814 CG2 THR A 50 3.285 14.650 -1.154 1.00 0.60 C ATOM 0 H THR A 50 2.705 13.799 2.689 1.00 0.45 H new ATOM 0 HA THR A 50 1.060 13.995 0.373 1.00 0.45 H new ATOM 0 HB THR A 50 4.082 14.065 0.727 1.00 0.51 H new ATOM 0 HG1 THR A 50 3.120 15.734 1.916 1.00 0.58 H new ATOM 0 HG21 THR A 50 4.115 15.318 -1.384 1.00 0.60 H new ATOM 0 HG22 THR A 50 3.471 13.674 -1.601 1.00 0.60 H new ATOM 0 HG23 THR A 50 2.362 15.065 -1.559 1.00 0.60 H new ATOM 822 N LEU A 51 3.077 11.398 0.645 1.00 0.35 N ATOM 823 CA LEU A 51 3.381 10.074 0.114 1.00 0.34 C ATOM 824 C LEU A 51 2.128 9.203 0.057 1.00 0.35 C ATOM 825 O LEU A 51 1.811 8.632 -0.983 1.00 0.40 O ATOM 826 CB LEU A 51 4.456 9.397 0.971 1.00 0.35 C ATOM 827 CG LEU A 51 4.935 8.033 0.470 1.00 0.39 C ATOM 828 CD1 LEU A 51 5.614 8.161 -0.885 1.00 0.44 C ATOM 829 CD2 LEU A 51 5.879 7.398 1.479 1.00 0.43 C ATOM 0 H LEU A 51 3.606 11.644 1.482 1.00 0.35 H new ATOM 0 HA LEU A 51 3.757 10.194 -0.902 1.00 0.34 H new ATOM 0 HB2 LEU A 51 5.316 10.063 1.037 1.00 0.35 H new ATOM 0 HB3 LEU A 51 4.068 9.277 1.982 1.00 0.35 H new ATOM 0 HG LEU A 51 4.064 7.388 0.354 1.00 0.39 H new ATOM 0 HD11 LEU A 51 5.946 7.178 -1.220 1.00 0.44 H new ATOM 0 HD12 LEU A 51 4.909 8.572 -1.608 1.00 0.44 H new ATOM 0 HD13 LEU A 51 6.474 8.825 -0.800 1.00 0.44 H new ATOM 0 HD21 LEU A 51 6.210 6.428 1.107 1.00 0.43 H new ATOM 0 HD22 LEU A 51 6.744 8.045 1.626 1.00 0.43 H new ATOM 0 HD23 LEU A 51 5.361 7.265 2.428 1.00 0.43 H new ATOM 841 N ILE A 52 1.410 9.125 1.171 1.00 0.37 N ATOM 842 CA ILE A 52 0.207 8.301 1.257 1.00 0.44 C ATOM 843 C ILE A 52 -0.862 8.798 0.282 1.00 0.41 C ATOM 844 O ILE A 52 -1.504 8.009 -0.409 1.00 0.43 O ATOM 845 CB ILE A 52 -0.362 8.284 2.695 1.00 0.56 C ATOM 846 CG1 ILE A 52 0.708 7.811 3.683 1.00 0.66 C ATOM 847 CG2 ILE A 52 -1.586 7.382 2.776 1.00 0.67 C ATOM 848 CD1 ILE A 52 0.256 7.819 5.129 1.00 0.72 C ATOM 0 H ILE A 52 1.640 9.624 2.031 1.00 0.37 H new ATOM 0 HA ILE A 52 0.489 7.283 0.986 1.00 0.44 H new ATOM 0 HB ILE A 52 -0.661 9.298 2.959 1.00 0.56 H new ATOM 0 HG12 ILE A 52 1.015 6.800 3.414 1.00 0.66 H new ATOM 0 HG13 ILE A 52 1.587 8.448 3.584 1.00 0.66 H new ATOM 0 HG21 ILE A 52 -1.972 7.383 3.795 1.00 0.67 H new ATOM 0 HG22 ILE A 52 -2.355 7.750 2.097 1.00 0.67 H new ATOM 0 HG23 ILE A 52 -1.309 6.366 2.494 1.00 0.67 H new ATOM 0 HD11 ILE A 52 1.069 7.471 5.766 1.00 0.72 H new ATOM 0 HD12 ILE A 52 -0.023 8.832 5.417 1.00 0.72 H new ATOM 0 HD13 ILE A 52 -0.604 7.159 5.245 1.00 0.72 H new ATOM 860 N SER A 53 -1.030 10.114 0.208 1.00 0.44 N ATOM 861 CA SER A 53 -1.983 10.709 -0.725 1.00 0.50 C ATOM 862 C SER A 53 -1.617 10.366 -2.168 1.00 0.48 C ATOM 863 O SER A 53 -2.489 10.119 -3.010 1.00 0.53 O ATOM 864 CB SER A 53 -2.014 12.226 -0.541 1.00 0.58 C ATOM 865 OG SER A 53 -2.401 12.569 0.780 1.00 1.21 O ATOM 0 H SER A 53 -0.521 10.788 0.780 1.00 0.44 H new ATOM 0 HA SER A 53 -2.971 10.300 -0.515 1.00 0.50 H new ATOM 0 HB2 SER A 53 -1.030 12.642 -0.755 1.00 0.58 H new ATOM 0 HB3 SER A 53 -2.709 12.669 -1.254 1.00 0.58 H new ATOM 0 HG SER A 53 -1.607 12.808 1.302 1.00 1.21 H new ATOM 871 N ASN A 54 -0.322 10.331 -2.436 1.00 0.47 N ATOM 872 CA ASN A 54 0.182 10.044 -3.768 1.00 0.54 C ATOM 873 C ASN A 54 0.051 8.552 -4.081 1.00 0.47 C ATOM 874 O ASN A 54 -0.164 8.165 -5.227 1.00 0.57 O ATOM 875 CB ASN A 54 1.637 10.507 -3.876 1.00 0.65 C ATOM 876 CG ASN A 54 2.153 10.518 -5.300 1.00 0.92 C ATOM 877 OD1 ASN A 54 1.385 10.613 -6.255 1.00 1.44 O ATOM 878 ND2 ASN A 54 3.466 10.472 -5.446 1.00 1.28 N ATOM 0 H ASN A 54 0.405 10.500 -1.741 1.00 0.47 H new ATOM 0 HA ASN A 54 -0.411 10.588 -4.503 1.00 0.54 H new ATOM 0 HB2 ASN A 54 1.725 11.509 -3.456 1.00 0.65 H new ATOM 0 HB3 ASN A 54 2.266 9.852 -3.273 1.00 0.65 H new ATOM 0 HD21 ASN A 54 3.877 10.516 -6.378 1.00 1.28 H new ATOM 0 HD22 ASN A 54 4.068 10.393 -4.626 1.00 1.28 H new ATOM 885 N LEU A 55 0.161 7.717 -3.050 1.00 0.40 N ATOM 886 CA LEU A 55 -0.051 6.279 -3.204 1.00 0.41 C ATOM 887 C LEU A 55 -1.522 5.976 -3.459 1.00 0.40 C ATOM 888 O LEU A 55 -1.855 5.051 -4.206 1.00 0.42 O ATOM 889 CB LEU A 55 0.430 5.512 -1.969 1.00 0.49 C ATOM 890 CG LEU A 55 1.807 4.850 -2.088 1.00 0.67 C ATOM 891 CD1 LEU A 55 1.838 3.868 -3.252 1.00 0.79 C ATOM 892 CD2 LEU A 55 2.895 5.897 -2.240 1.00 1.22 C ATOM 0 H LEU A 55 0.395 8.010 -2.101 1.00 0.40 H new ATOM 0 HA LEU A 55 0.534 5.951 -4.063 1.00 0.41 H new ATOM 0 HB2 LEU A 55 0.450 6.199 -1.123 1.00 0.49 H new ATOM 0 HB3 LEU A 55 -0.304 4.741 -1.735 1.00 0.49 H new ATOM 0 HG LEU A 55 1.995 4.293 -1.170 1.00 0.67 H new ATOM 0 HD11 LEU A 55 2.825 3.411 -3.316 1.00 0.79 H new ATOM 0 HD12 LEU A 55 1.089 3.092 -3.094 1.00 0.79 H new ATOM 0 HD13 LEU A 55 1.622 4.397 -4.180 1.00 0.79 H new ATOM 0 HD21 LEU A 55 3.864 5.405 -2.323 1.00 1.22 H new ATOM 0 HD22 LEU A 55 2.710 6.487 -3.138 1.00 1.22 H new ATOM 0 HD23 LEU A 55 2.894 6.552 -1.369 1.00 1.22 H new ATOM 904 N GLU A 56 -2.398 6.758 -2.837 1.00 0.43 N ATOM 905 CA GLU A 56 -3.831 6.651 -3.087 1.00 0.50 C ATOM 906 C GLU A 56 -4.121 6.833 -4.572 1.00 0.48 C ATOM 907 O GLU A 56 -4.959 6.137 -5.140 1.00 0.54 O ATOM 908 CB GLU A 56 -4.604 7.695 -2.275 1.00 0.62 C ATOM 909 CG GLU A 56 -6.096 7.721 -2.579 1.00 0.80 C ATOM 910 CD GLU A 56 -6.825 8.824 -1.846 1.00 1.19 C ATOM 911 OE1 GLU A 56 -7.673 8.508 -0.982 1.00 1.81 O ATOM 912 OE2 GLU A 56 -6.550 10.013 -2.118 1.00 1.47 O ATOM 0 H GLU A 56 -2.141 7.473 -2.156 1.00 0.43 H new ATOM 0 HA GLU A 56 -4.158 5.658 -2.777 1.00 0.50 H new ATOM 0 HB2 GLU A 56 -4.461 7.495 -1.213 1.00 0.62 H new ATOM 0 HB3 GLU A 56 -4.184 8.681 -2.473 1.00 0.62 H new ATOM 0 HG2 GLU A 56 -6.241 7.847 -3.652 1.00 0.80 H new ATOM 0 HG3 GLU A 56 -6.534 6.760 -2.308 1.00 0.80 H new ATOM 919 N ALA A 57 -3.389 7.745 -5.203 1.00 0.47 N ATOM 920 CA ALA A 57 -3.572 8.030 -6.621 1.00 0.54 C ATOM 921 C ALA A 57 -3.112 6.862 -7.493 1.00 0.50 C ATOM 922 O ALA A 57 -3.437 6.794 -8.679 1.00 0.65 O ATOM 923 CB ALA A 57 -2.821 9.296 -6.998 1.00 0.65 C ATOM 0 H ALA A 57 -2.662 8.301 -4.753 1.00 0.47 H new ATOM 0 HA ALA A 57 -4.637 8.176 -6.799 1.00 0.54 H new ATOM 0 HB1 ALA A 57 -2.963 9.501 -8.059 1.00 0.65 H new ATOM 0 HB2 ALA A 57 -3.202 10.133 -6.412 1.00 0.65 H new ATOM 0 HB3 ALA A 57 -1.759 9.163 -6.793 1.00 0.65 H new ATOM 929 N VAL A 58 -2.361 5.942 -6.901 1.00 0.39 N ATOM 930 CA VAL A 58 -1.844 4.792 -7.628 1.00 0.44 C ATOM 931 C VAL A 58 -2.870 3.660 -7.667 1.00 0.48 C ATOM 932 O VAL A 58 -3.079 3.035 -8.706 1.00 0.58 O ATOM 933 CB VAL A 58 -0.532 4.269 -7.002 1.00 0.46 C ATOM 934 CG1 VAL A 58 0.009 3.079 -7.783 1.00 0.57 C ATOM 935 CG2 VAL A 58 0.507 5.379 -6.935 1.00 0.48 C ATOM 0 H VAL A 58 -2.096 5.971 -5.916 1.00 0.39 H new ATOM 0 HA VAL A 58 -1.639 5.126 -8.645 1.00 0.44 H new ATOM 0 HB VAL A 58 -0.751 3.937 -5.987 1.00 0.46 H new ATOM 0 HG11 VAL A 58 0.933 2.730 -7.321 1.00 0.57 H new ATOM 0 HG12 VAL A 58 -0.726 2.274 -7.776 1.00 0.57 H new ATOM 0 HG13 VAL A 58 0.208 3.379 -8.812 1.00 0.57 H new ATOM 0 HG21 VAL A 58 1.424 4.992 -6.491 1.00 0.48 H new ATOM 0 HG22 VAL A 58 0.716 5.743 -7.941 1.00 0.48 H new ATOM 0 HG23 VAL A 58 0.126 6.198 -6.325 1.00 0.48 H new ATOM 945 N TYR A 59 -3.509 3.400 -6.535 1.00 0.48 N ATOM 946 CA TYR A 59 -4.462 2.299 -6.443 1.00 0.57 C ATOM 947 C TYR A 59 -5.900 2.765 -6.631 1.00 0.67 C ATOM 948 O TYR A 59 -6.744 2.011 -7.118 1.00 0.74 O ATOM 949 CB TYR A 59 -4.329 1.585 -5.095 1.00 0.61 C ATOM 950 CG TYR A 59 -3.136 0.662 -5.010 1.00 0.63 C ATOM 951 CD1 TYR A 59 -3.262 -0.698 -5.263 1.00 0.88 C ATOM 952 CD2 TYR A 59 -1.882 1.156 -4.677 1.00 0.60 C ATOM 953 CE1 TYR A 59 -2.168 -1.539 -5.187 1.00 1.00 C ATOM 954 CE2 TYR A 59 -0.785 0.322 -4.599 1.00 0.71 C ATOM 955 CZ TYR A 59 -0.950 -1.048 -4.854 1.00 0.87 C ATOM 956 OH TYR A 59 0.158 -1.859 -4.779 1.00 1.04 O ATOM 0 H TYR A 59 -3.387 3.931 -5.673 1.00 0.48 H new ATOM 0 HA TYR A 59 -4.224 1.607 -7.251 1.00 0.57 H new ATOM 0 HB2 TYR A 59 -4.256 2.332 -4.304 1.00 0.61 H new ATOM 0 HB3 TYR A 59 -5.236 1.010 -4.908 1.00 0.61 H new ATOM 0 HD1 TYR A 59 -4.229 -1.104 -5.523 1.00 0.88 H new ATOM 0 HD2 TYR A 59 -1.763 2.210 -4.476 1.00 0.60 H new ATOM 0 HE1 TYR A 59 -2.285 -2.593 -5.394 1.00 1.00 H new ATOM 0 HE2 TYR A 59 0.187 0.718 -4.345 1.00 0.71 H new ATOM 0 HH TYR A 59 0.967 -1.307 -4.765 1.00 1.04 H new ATOM 966 N GLY A 60 -6.179 4.001 -6.238 1.00 0.79 N ATOM 967 CA GLY A 60 -7.538 4.511 -6.281 1.00 0.93 C ATOM 968 C GLY A 60 -8.311 4.132 -5.035 1.00 1.01 C ATOM 969 O GLY A 60 -9.461 4.531 -4.848 1.00 1.23 O ATOM 0 H GLY A 60 -5.486 4.663 -5.889 1.00 0.79 H new ATOM 0 HA2 GLY A 60 -7.518 5.596 -6.382 1.00 0.93 H new ATOM 0 HA3 GLY A 60 -8.048 4.118 -7.161 1.00 0.93 H new ATOM 973 N THR A 61 -7.658 3.365 -4.179 1.00 1.00 N ATOM 974 CA THR A 61 -8.261 2.866 -2.959 1.00 1.17 C ATOM 975 C THR A 61 -7.308 3.075 -1.788 1.00 1.44 C ATOM 976 O THR A 61 -6.164 2.613 -1.827 1.00 1.78 O ATOM 977 CB THR A 61 -8.588 1.366 -3.097 1.00 1.44 C ATOM 978 OG1 THR A 61 -7.434 0.665 -3.584 1.00 1.83 O ATOM 979 CG2 THR A 61 -9.755 1.137 -4.047 1.00 1.52 C ATOM 0 H THR A 61 -6.691 3.071 -4.313 1.00 1.00 H new ATOM 0 HA THR A 61 -9.185 3.414 -2.777 1.00 1.17 H new ATOM 0 HB THR A 61 -8.869 0.990 -2.113 1.00 1.44 H new ATOM 0 HG1 THR A 61 -6.629 1.020 -3.151 1.00 1.83 H new ATOM 0 HG21 THR A 61 -9.959 0.069 -4.122 1.00 1.52 H new ATOM 0 HG22 THR A 61 -10.639 1.650 -3.668 1.00 1.52 H new ATOM 0 HG23 THR A 61 -9.504 1.528 -5.033 1.00 1.52 H new ATOM 987 N ASP A 62 -7.770 3.780 -0.765 1.00 1.59 N ATOM 988 CA ASP A 62 -6.934 4.093 0.390 1.00 1.95 C ATOM 989 C ASP A 62 -7.760 4.139 1.671 1.00 1.51 C ATOM 990 O ASP A 62 -8.716 4.915 1.769 1.00 1.59 O ATOM 991 CB ASP A 62 -6.231 5.436 0.182 1.00 2.71 C ATOM 992 CG ASP A 62 -5.484 5.905 1.415 1.00 3.35 C ATOM 993 OD1 ASP A 62 -5.993 6.808 2.115 1.00 4.01 O ATOM 994 OD2 ASP A 62 -4.386 5.382 1.681 1.00 3.59 O ATOM 0 H ASP A 62 -8.720 4.147 -0.709 1.00 1.59 H new ATOM 0 HA ASP A 62 -6.189 3.304 0.489 1.00 1.95 H new ATOM 0 HB2 ASP A 62 -5.532 5.350 -0.650 1.00 2.71 H new ATOM 0 HB3 ASP A 62 -6.969 6.188 -0.098 1.00 2.71 H new ATOM 999 N PRO A 63 -7.431 3.293 2.659 1.00 2.12 N ATOM 1000 CA PRO A 63 -8.069 3.317 3.965 1.00 2.53 C ATOM 1001 C PRO A 63 -7.398 4.338 4.877 1.00 2.06 C ATOM 1002 O PRO A 63 -6.231 4.188 5.243 1.00 2.15 O ATOM 1003 CB PRO A 63 -7.856 1.890 4.500 1.00 3.71 C ATOM 1004 CG PRO A 63 -6.991 1.184 3.495 1.00 3.94 C ATOM 1005 CD PRO A 63 -6.417 2.242 2.592 1.00 3.13 C ATOM 0 HA PRO A 63 -9.120 3.600 3.916 1.00 2.53 H new ATOM 0 HB2 PRO A 63 -7.377 1.910 5.479 1.00 3.71 H new ATOM 0 HB3 PRO A 63 -8.809 1.375 4.622 1.00 3.71 H new ATOM 0 HG2 PRO A 63 -6.196 0.628 3.992 1.00 3.94 H new ATOM 0 HG3 PRO A 63 -7.574 0.463 2.923 1.00 3.94 H new ATOM 0 HD2 PRO A 63 -5.445 2.591 2.941 1.00 3.13 H new ATOM 0 HD3 PRO A 63 -6.277 1.876 1.575 1.00 3.13 H new ATOM 1013 N PHE A 64 -8.137 5.365 5.260 1.00 2.11 N ATOM 1014 CA PHE A 64 -7.545 6.485 5.976 1.00 1.93 C ATOM 1015 C PHE A 64 -7.792 6.381 7.479 1.00 2.37 C ATOM 1016 O PHE A 64 -7.288 7.190 8.253 1.00 2.33 O ATOM 1017 CB PHE A 64 -8.097 7.806 5.431 1.00 2.60 C ATOM 1018 CG PHE A 64 -7.297 9.008 5.844 1.00 2.84 C ATOM 1019 CD1 PHE A 64 -7.821 9.942 6.723 1.00 3.12 C ATOM 1020 CD2 PHE A 64 -6.015 9.194 5.355 1.00 3.20 C ATOM 1021 CE1 PHE A 64 -7.077 11.042 7.107 1.00 3.72 C ATOM 1022 CE2 PHE A 64 -5.268 10.292 5.735 1.00 3.78 C ATOM 1023 CZ PHE A 64 -5.799 11.217 6.612 1.00 4.03 C ATOM 0 H PHE A 64 -9.139 5.448 5.090 1.00 2.11 H new ATOM 0 HA PHE A 64 -6.467 6.457 5.817 1.00 1.93 H new ATOM 0 HB2 PHE A 64 -8.127 7.756 4.343 1.00 2.60 H new ATOM 0 HB3 PHE A 64 -9.125 7.929 5.773 1.00 2.60 H new ATOM 0 HD1 PHE A 64 -8.820 9.809 7.112 1.00 3.12 H new ATOM 0 HD2 PHE A 64 -5.595 8.473 4.669 1.00 3.20 H new ATOM 0 HE1 PHE A 64 -7.494 11.764 7.793 1.00 3.72 H new ATOM 0 HE2 PHE A 64 -4.269 10.427 5.346 1.00 3.78 H new ATOM 0 HZ PHE A 64 -5.216 12.076 6.911 1.00 4.03 H new ATOM 1033 N ALA A 65 -8.544 5.367 7.890 1.00 3.08 N ATOM 1034 CA ALA A 65 -8.883 5.185 9.298 1.00 3.86 C ATOM 1035 C ALA A 65 -7.628 5.060 10.159 1.00 3.69 C ATOM 1036 O ALA A 65 -7.491 5.731 11.181 1.00 3.90 O ATOM 1037 CB ALA A 65 -9.768 3.962 9.478 1.00 4.87 C ATOM 0 H ALA A 65 -8.931 4.657 7.268 1.00 3.08 H new ATOM 0 HA ALA A 65 -9.431 6.069 9.626 1.00 3.86 H new ATOM 0 HB1 ALA A 65 -10.011 3.841 10.534 1.00 4.87 H new ATOM 0 HB2 ALA A 65 -10.687 4.091 8.906 1.00 4.87 H new ATOM 0 HB3 ALA A 65 -9.241 3.076 9.123 1.00 4.87 H new ATOM 1043 N ASP A 66 -6.707 4.211 9.731 1.00 3.58 N ATOM 1044 CA ASP A 66 -5.463 4.002 10.464 1.00 3.92 C ATOM 1045 C ASP A 66 -4.449 5.082 10.126 1.00 3.25 C ATOM 1046 O ASP A 66 -3.456 5.254 10.827 1.00 3.56 O ATOM 1047 CB ASP A 66 -4.873 2.623 10.157 1.00 4.73 C ATOM 1048 CG ASP A 66 -5.640 1.499 10.821 1.00 5.33 C ATOM 1049 OD1 ASP A 66 -6.848 1.345 10.535 1.00 5.57 O ATOM 1050 OD2 ASP A 66 -5.040 0.761 11.630 1.00 5.89 O ATOM 0 H ASP A 66 -6.795 3.655 8.881 1.00 3.58 H new ATOM 0 HA ASP A 66 -5.693 4.056 11.528 1.00 3.92 H new ATOM 0 HB2 ASP A 66 -4.868 2.466 9.078 1.00 4.73 H new ATOM 0 HB3 ASP A 66 -3.835 2.594 10.488 1.00 4.73 H new ATOM 1055 N ALA A 67 -4.719 5.823 9.060 1.00 2.57 N ATOM 1056 CA ALA A 67 -3.800 6.851 8.596 1.00 2.48 C ATOM 1057 C ALA A 67 -4.095 8.198 9.251 1.00 2.09 C ATOM 1058 O ALA A 67 -3.424 9.190 8.970 1.00 2.63 O ATOM 1059 CB ALA A 67 -3.856 6.968 7.080 1.00 2.61 C ATOM 0 H ALA A 67 -5.567 5.731 8.501 1.00 2.57 H new ATOM 0 HA ALA A 67 -2.792 6.555 8.887 1.00 2.48 H new ATOM 0 HB1 ALA A 67 -3.163 7.741 6.749 1.00 2.61 H new ATOM 0 HB2 ALA A 67 -3.578 6.015 6.631 1.00 2.61 H new ATOM 0 HB3 ALA A 67 -4.868 7.232 6.773 1.00 2.61 H new ATOM 1065 N VAL A 68 -5.109 8.234 10.114 1.00 1.75 N ATOM 1066 CA VAL A 68 -5.418 9.440 10.874 1.00 2.06 C ATOM 1067 C VAL A 68 -4.284 9.741 11.847 1.00 1.84 C ATOM 1068 O VAL A 68 -3.820 10.877 11.956 1.00 2.23 O ATOM 1069 CB VAL A 68 -6.751 9.310 11.649 1.00 2.70 C ATOM 1070 CG1 VAL A 68 -6.992 10.530 12.525 1.00 3.04 C ATOM 1071 CG2 VAL A 68 -7.912 9.115 10.685 1.00 3.37 C ATOM 0 H VAL A 68 -5.727 7.445 10.303 1.00 1.75 H new ATOM 0 HA VAL A 68 -5.526 10.260 10.164 1.00 2.06 H new ATOM 0 HB VAL A 68 -6.682 8.434 12.294 1.00 2.70 H new ATOM 0 HG11 VAL A 68 -7.935 10.414 13.059 1.00 3.04 H new ATOM 0 HG12 VAL A 68 -6.178 10.629 13.243 1.00 3.04 H new ATOM 0 HG13 VAL A 68 -7.036 11.423 11.901 1.00 3.04 H new ATOM 0 HG21 VAL A 68 -8.841 9.025 11.248 1.00 3.37 H new ATOM 0 HG22 VAL A 68 -7.975 9.971 10.014 1.00 3.37 H new ATOM 0 HG23 VAL A 68 -7.752 8.208 10.102 1.00 3.37 H new ATOM 1081 N ALA A 69 -3.831 8.710 12.541 1.00 1.56 N ATOM 1082 CA ALA A 69 -2.674 8.825 13.408 1.00 1.54 C ATOM 1083 C ALA A 69 -1.427 8.411 12.647 1.00 1.33 C ATOM 1084 O ALA A 69 -1.257 7.238 12.319 1.00 1.29 O ATOM 1085 CB ALA A 69 -2.851 7.970 14.653 1.00 1.80 C ATOM 0 H ALA A 69 -4.250 7.780 12.519 1.00 1.56 H new ATOM 0 HA ALA A 69 -2.569 9.862 13.726 1.00 1.54 H new ATOM 0 HB1 ALA A 69 -1.973 8.070 15.291 1.00 1.80 H new ATOM 0 HB2 ALA A 69 -3.735 8.300 15.199 1.00 1.80 H new ATOM 0 HB3 ALA A 69 -2.972 6.926 14.363 1.00 1.80 H new ATOM 1091 N ILE A 70 -0.557 9.372 12.366 1.00 1.30 N ATOM 1092 CA ILE A 70 0.635 9.121 11.559 1.00 1.16 C ATOM 1093 C ILE A 70 1.609 8.191 12.289 1.00 1.01 C ATOM 1094 O ILE A 70 2.520 7.623 11.688 1.00 0.94 O ATOM 1095 CB ILE A 70 1.347 10.447 11.188 1.00 1.33 C ATOM 1096 CG1 ILE A 70 2.383 10.219 10.082 1.00 1.46 C ATOM 1097 CG2 ILE A 70 2.009 11.069 12.412 1.00 1.51 C ATOM 1098 CD1 ILE A 70 1.781 9.766 8.768 1.00 1.46 C ATOM 0 H ILE A 70 -0.653 10.336 12.685 1.00 1.30 H new ATOM 0 HA ILE A 70 0.310 8.632 10.641 1.00 1.16 H new ATOM 0 HB ILE A 70 0.591 11.139 10.816 1.00 1.33 H new ATOM 0 HG12 ILE A 70 2.936 11.144 9.918 1.00 1.46 H new ATOM 0 HG13 ILE A 70 3.102 9.472 10.418 1.00 1.46 H new ATOM 0 HG21 ILE A 70 2.502 11.998 12.126 1.00 1.51 H new ATOM 0 HG22 ILE A 70 1.252 11.277 13.168 1.00 1.51 H new ATOM 0 HG23 ILE A 70 2.747 10.377 12.818 1.00 1.51 H new ATOM 0 HD11 ILE A 70 2.574 9.625 8.034 1.00 1.46 H new ATOM 0 HD12 ILE A 70 1.252 8.825 8.916 1.00 1.46 H new ATOM 0 HD13 ILE A 70 1.083 10.522 8.408 1.00 1.46 H new ATOM 1110 N THR A 71 1.383 8.018 13.585 1.00 1.06 N ATOM 1111 CA THR A 71 2.245 7.198 14.417 1.00 1.05 C ATOM 1112 C THR A 71 2.011 5.705 14.185 1.00 0.90 C ATOM 1113 O THR A 71 2.727 4.866 14.737 1.00 0.89 O ATOM 1114 CB THR A 71 2.022 7.534 15.901 1.00 1.28 C ATOM 1115 OG1 THR A 71 0.616 7.628 16.167 1.00 1.47 O ATOM 1116 CG2 THR A 71 2.701 8.845 16.269 1.00 1.59 C ATOM 0 H THR A 71 0.600 8.441 14.084 1.00 1.06 H new ATOM 0 HA THR A 71 3.275 7.421 14.140 1.00 1.05 H new ATOM 0 HB THR A 71 2.459 6.738 16.505 1.00 1.28 H new ATOM 0 HG1 THR A 71 0.476 7.840 17.113 1.00 1.47 H new ATOM 0 HG21 THR A 71 2.529 9.061 17.323 1.00 1.59 H new ATOM 0 HG22 THR A 71 3.772 8.764 16.086 1.00 1.59 H new ATOM 0 HG23 THR A 71 2.289 9.651 15.662 1.00 1.59 H new ATOM 1124 N SER A 72 1.016 5.373 13.371 1.00 0.90 N ATOM 1125 CA SER A 72 0.729 3.983 13.052 1.00 0.92 C ATOM 1126 C SER A 72 1.682 3.476 11.972 1.00 0.73 C ATOM 1127 O SER A 72 2.026 2.293 11.928 1.00 0.76 O ATOM 1128 CB SER A 72 -0.717 3.841 12.576 1.00 1.15 C ATOM 1129 OG SER A 72 -0.936 4.612 11.407 1.00 1.94 O ATOM 0 H SER A 72 0.396 6.047 12.921 1.00 0.90 H new ATOM 0 HA SER A 72 0.869 3.385 13.953 1.00 0.92 H new ATOM 0 HB2 SER A 72 -0.937 2.793 12.373 1.00 1.15 H new ATOM 0 HB3 SER A 72 -1.398 4.163 13.364 1.00 1.15 H new ATOM 0 HG SER A 72 -1.898 4.673 11.231 1.00 1.94 H new ATOM 1135 N ILE A 73 2.112 4.386 11.109 1.00 0.62 N ATOM 1136 CA ILE A 73 3.010 4.042 10.020 1.00 0.52 C ATOM 1137 C ILE A 73 4.455 4.227 10.461 1.00 0.51 C ATOM 1138 O ILE A 73 5.026 5.312 10.335 1.00 0.60 O ATOM 1139 CB ILE A 73 2.732 4.901 8.763 1.00 0.60 C ATOM 1140 CG1 ILE A 73 1.257 4.799 8.352 1.00 0.67 C ATOM 1141 CG2 ILE A 73 3.632 4.472 7.611 1.00 0.61 C ATOM 1142 CD1 ILE A 73 0.812 3.394 7.996 1.00 0.63 C ATOM 0 H ILE A 73 1.851 5.371 11.144 1.00 0.62 H new ATOM 0 HA ILE A 73 2.837 2.998 9.760 1.00 0.52 H new ATOM 0 HB ILE A 73 2.952 5.940 9.007 1.00 0.60 H new ATOM 0 HG12 ILE A 73 0.637 5.170 9.168 1.00 0.67 H new ATOM 0 HG13 ILE A 73 1.083 5.452 7.497 1.00 0.67 H new ATOM 0 HG21 ILE A 73 3.422 5.087 6.736 1.00 0.61 H new ATOM 0 HG22 ILE A 73 4.676 4.596 7.899 1.00 0.61 H new ATOM 0 HG23 ILE A 73 3.443 3.425 7.372 1.00 0.61 H new ATOM 0 HD11 ILE A 73 -0.242 3.406 7.717 1.00 0.63 H new ATOM 0 HD12 ILE A 73 1.405 3.026 7.159 1.00 0.63 H new ATOM 0 HD13 ILE A 73 0.952 2.739 8.856 1.00 0.63 H new ATOM 1154 N VAL A 74 5.034 3.168 11.004 1.00 0.49 N ATOM 1155 CA VAL A 74 6.403 3.219 11.490 1.00 0.57 C ATOM 1156 C VAL A 74 7.374 2.801 10.392 1.00 0.45 C ATOM 1157 O VAL A 74 8.390 3.460 10.161 1.00 0.52 O ATOM 1158 CB VAL A 74 6.600 2.310 12.722 1.00 0.71 C ATOM 1159 CG1 VAL A 74 8.021 2.420 13.256 1.00 0.84 C ATOM 1160 CG2 VAL A 74 5.589 2.655 13.807 1.00 0.88 C ATOM 0 H VAL A 74 4.577 2.263 11.119 1.00 0.49 H new ATOM 0 HA VAL A 74 6.606 4.249 11.784 1.00 0.57 H new ATOM 0 HB VAL A 74 6.435 1.278 12.413 1.00 0.71 H new ATOM 0 HG11 VAL A 74 8.135 1.770 14.124 1.00 0.84 H new ATOM 0 HG12 VAL A 74 8.725 2.117 12.481 1.00 0.84 H new ATOM 0 HG13 VAL A 74 8.222 3.451 13.546 1.00 0.84 H new ATOM 0 HG21 VAL A 74 5.743 2.004 14.668 1.00 0.88 H new ATOM 0 HG22 VAL A 74 5.720 3.694 14.109 1.00 0.88 H new ATOM 0 HG23 VAL A 74 4.579 2.514 13.421 1.00 0.88 H new ATOM 1170 N THR A 75 7.048 1.715 9.710 1.00 0.36 N ATOM 1171 CA THR A 75 7.920 1.174 8.685 1.00 0.34 C ATOM 1172 C THR A 75 7.232 1.152 7.327 1.00 0.31 C ATOM 1173 O THR A 75 6.017 1.348 7.241 1.00 0.33 O ATOM 1174 CB THR A 75 8.376 -0.254 9.038 1.00 0.43 C ATOM 1175 OG1 THR A 75 7.234 -1.083 9.300 1.00 0.63 O ATOM 1176 CG2 THR A 75 9.294 -0.251 10.252 1.00 0.65 C ATOM 0 H THR A 75 6.184 1.191 9.849 1.00 0.36 H new ATOM 0 HA THR A 75 8.791 1.828 8.634 1.00 0.34 H new ATOM 0 HB THR A 75 8.929 -0.652 8.188 1.00 0.43 H new ATOM 0 HG1 THR A 75 6.420 -0.538 9.271 1.00 0.63 H new ATOM 0 HG21 THR A 75 9.601 -1.272 10.479 1.00 0.65 H new ATOM 0 HG22 THR A 75 10.176 0.354 10.040 1.00 0.65 H new ATOM 0 HG23 THR A 75 8.764 0.167 11.108 1.00 0.65 H new ATOM 1184 N VAL A 76 8.003 0.912 6.275 1.00 0.29 N ATOM 1185 CA VAL A 76 7.452 0.814 4.928 1.00 0.28 C ATOM 1186 C VAL A 76 6.397 -0.287 4.865 1.00 0.27 C ATOM 1187 O VAL A 76 5.345 -0.120 4.246 1.00 0.30 O ATOM 1188 CB VAL A 76 8.554 0.541 3.879 1.00 0.32 C ATOM 1189 CG1 VAL A 76 7.959 0.388 2.486 1.00 0.53 C ATOM 1190 CG2 VAL A 76 9.591 1.654 3.891 1.00 0.60 C ATOM 0 H VAL A 76 9.013 0.781 6.327 1.00 0.29 H new ATOM 0 HA VAL A 76 6.991 1.773 4.693 1.00 0.28 H new ATOM 0 HB VAL A 76 9.044 -0.396 4.144 1.00 0.32 H new ATOM 0 HG11 VAL A 76 8.757 0.197 1.769 1.00 0.53 H new ATOM 0 HG12 VAL A 76 7.258 -0.446 2.480 1.00 0.53 H new ATOM 0 HG13 VAL A 76 7.436 1.304 2.211 1.00 0.53 H new ATOM 0 HG21 VAL A 76 10.359 1.444 3.146 1.00 0.60 H new ATOM 0 HG22 VAL A 76 9.109 2.603 3.658 1.00 0.60 H new ATOM 0 HG23 VAL A 76 10.050 1.713 4.878 1.00 0.60 H new ATOM 1200 N ALA A 77 6.679 -1.394 5.546 1.00 0.28 N ATOM 1201 CA ALA A 77 5.781 -2.545 5.595 1.00 0.31 C ATOM 1202 C ALA A 77 4.365 -2.156 6.006 1.00 0.31 C ATOM 1203 O ALA A 77 3.394 -2.702 5.488 1.00 0.35 O ATOM 1204 CB ALA A 77 6.328 -3.592 6.553 1.00 0.36 C ATOM 0 H ALA A 77 7.538 -1.519 6.081 1.00 0.28 H new ATOM 0 HA ALA A 77 5.728 -2.958 4.588 1.00 0.31 H new ATOM 0 HB1 ALA A 77 5.652 -4.446 6.583 1.00 0.36 H new ATOM 0 HB2 ALA A 77 7.311 -3.919 6.213 1.00 0.36 H new ATOM 0 HB3 ALA A 77 6.414 -3.162 7.551 1.00 0.36 H new ATOM 1210 N ASP A 78 4.253 -1.201 6.920 1.00 0.32 N ATOM 1211 CA ASP A 78 2.954 -0.785 7.438 1.00 0.37 C ATOM 1212 C ASP A 78 2.127 -0.112 6.351 1.00 0.36 C ATOM 1213 O ASP A 78 0.928 -0.352 6.230 1.00 0.42 O ATOM 1214 CB ASP A 78 3.118 0.164 8.628 1.00 0.44 C ATOM 1215 CG ASP A 78 3.858 -0.474 9.784 1.00 1.12 C ATOM 1216 OD1 ASP A 78 4.950 0.019 10.144 1.00 2.04 O ATOM 1217 OD2 ASP A 78 3.353 -1.476 10.341 1.00 1.01 O ATOM 0 H ASP A 78 5.046 -0.699 7.319 1.00 0.32 H new ATOM 0 HA ASP A 78 2.431 -1.680 7.774 1.00 0.37 H new ATOM 0 HB2 ASP A 78 3.655 1.056 8.305 1.00 0.44 H new ATOM 0 HB3 ASP A 78 2.134 0.490 8.967 1.00 0.44 H new ATOM 1222 N LEU A 79 2.779 0.719 5.552 1.00 0.32 N ATOM 1223 CA LEU A 79 2.096 1.430 4.483 1.00 0.34 C ATOM 1224 C LEU A 79 1.909 0.519 3.274 1.00 0.31 C ATOM 1225 O LEU A 79 0.853 0.509 2.641 1.00 0.34 O ATOM 1226 CB LEU A 79 2.888 2.680 4.088 1.00 0.40 C ATOM 1227 CG LEU A 79 2.201 3.592 3.068 1.00 0.46 C ATOM 1228 CD1 LEU A 79 0.898 4.138 3.633 1.00 0.51 C ATOM 1229 CD2 LEU A 79 3.127 4.728 2.664 1.00 0.53 C ATOM 0 H LEU A 79 3.777 0.917 5.623 1.00 0.32 H new ATOM 0 HA LEU A 79 1.114 1.737 4.842 1.00 0.34 H new ATOM 0 HB2 LEU A 79 3.095 3.259 4.988 1.00 0.40 H new ATOM 0 HB3 LEU A 79 3.850 2.368 3.682 1.00 0.40 H new ATOM 0 HG LEU A 79 1.969 3.005 2.180 1.00 0.46 H new ATOM 0 HD11 LEU A 79 0.424 4.784 2.894 1.00 0.51 H new ATOM 0 HD12 LEU A 79 0.231 3.310 3.873 1.00 0.51 H new ATOM 0 HD13 LEU A 79 1.105 4.711 4.537 1.00 0.51 H new ATOM 0 HD21 LEU A 79 2.624 5.367 1.939 1.00 0.53 H new ATOM 0 HD22 LEU A 79 3.389 5.315 3.545 1.00 0.53 H new ATOM 0 HD23 LEU A 79 4.033 4.318 2.219 1.00 0.53 H new ATOM 1241 N ALA A 80 2.937 -0.264 2.974 1.00 0.29 N ATOM 1242 CA ALA A 80 2.910 -1.165 1.830 1.00 0.33 C ATOM 1243 C ALA A 80 1.836 -2.234 1.994 1.00 0.30 C ATOM 1244 O ALA A 80 1.119 -2.547 1.046 1.00 0.34 O ATOM 1245 CB ALA A 80 4.276 -1.804 1.626 1.00 0.38 C ATOM 0 H ALA A 80 3.804 -0.293 3.510 1.00 0.29 H new ATOM 0 HA ALA A 80 2.663 -0.579 0.945 1.00 0.33 H new ATOM 0 HB1 ALA A 80 4.239 -2.475 0.767 1.00 0.38 H new ATOM 0 HB2 ALA A 80 5.019 -1.026 1.448 1.00 0.38 H new ATOM 0 HB3 ALA A 80 4.550 -2.370 2.517 1.00 0.38 H new ATOM 1251 N ARG A 81 1.709 -2.773 3.203 1.00 0.30 N ATOM 1252 CA ARG A 81 0.730 -3.822 3.467 1.00 0.35 C ATOM 1253 C ARG A 81 -0.690 -3.290 3.291 1.00 0.34 C ATOM 1254 O ARG A 81 -1.590 -4.024 2.878 1.00 0.39 O ATOM 1255 CB ARG A 81 0.904 -4.388 4.879 1.00 0.47 C ATOM 1256 CG ARG A 81 -0.024 -5.554 5.187 1.00 1.33 C ATOM 1257 CD ARG A 81 0.274 -6.755 4.300 1.00 1.69 C ATOM 1258 NE ARG A 81 -0.703 -7.825 4.485 1.00 2.26 N ATOM 1259 CZ ARG A 81 -0.433 -9.121 4.336 1.00 3.09 C ATOM 1260 NH1 ARG A 81 0.800 -9.522 4.038 1.00 3.43 N ATOM 1261 NH2 ARG A 81 -1.397 -10.017 4.498 1.00 4.06 N ATOM 0 H ARG A 81 2.269 -2.502 4.012 1.00 0.30 H new ATOM 0 HA ARG A 81 0.897 -4.624 2.748 1.00 0.35 H new ATOM 0 HB2 ARG A 81 1.937 -4.713 5.006 1.00 0.47 H new ATOM 0 HB3 ARG A 81 0.728 -3.593 5.604 1.00 0.47 H new ATOM 0 HG2 ARG A 81 0.083 -5.838 6.234 1.00 1.33 H new ATOM 0 HG3 ARG A 81 -1.059 -5.244 5.045 1.00 1.33 H new ATOM 0 HD2 ARG A 81 0.277 -6.443 3.256 1.00 1.69 H new ATOM 0 HD3 ARG A 81 1.272 -7.132 4.523 1.00 1.69 H new ATOM 0 HE ARG A 81 -1.654 -7.563 4.745 1.00 2.26 H new ATOM 0 HH11 ARG A 81 1.546 -8.836 3.922 1.00 3.43 H new ATOM 0 HH12 ARG A 81 1.000 -10.516 3.925 1.00 3.43 H new ATOM 0 HH21 ARG A 81 -2.341 -9.713 4.736 1.00 4.06 H new ATOM 0 HH22 ARG A 81 -1.194 -11.010 4.385 1.00 4.06 H new ATOM 1275 N ALA A 82 -0.879 -2.010 3.588 1.00 0.37 N ATOM 1276 CA ALA A 82 -2.181 -1.378 3.436 1.00 0.45 C ATOM 1277 C ALA A 82 -2.611 -1.388 1.974 1.00 0.49 C ATOM 1278 O ALA A 82 -3.772 -1.644 1.656 1.00 0.59 O ATOM 1279 CB ALA A 82 -2.151 0.044 3.977 1.00 0.52 C ATOM 0 H ALA A 82 -0.147 -1.391 3.935 1.00 0.37 H new ATOM 0 HA ALA A 82 -2.910 -1.947 4.012 1.00 0.45 H new ATOM 0 HB1 ALA A 82 -3.133 0.501 3.855 1.00 0.52 H new ATOM 0 HB2 ALA A 82 -1.889 0.025 5.035 1.00 0.52 H new ATOM 0 HB3 ALA A 82 -1.410 0.626 3.429 1.00 0.52 H new ATOM 1285 N TYR A 83 -1.660 -1.138 1.083 1.00 0.49 N ATOM 1286 CA TYR A 83 -1.948 -1.113 -0.344 1.00 0.60 C ATOM 1287 C TYR A 83 -1.824 -2.500 -0.961 1.00 0.62 C ATOM 1288 O TYR A 83 -2.228 -2.713 -2.098 1.00 0.77 O ATOM 1289 CB TYR A 83 -1.041 -0.118 -1.060 1.00 0.66 C ATOM 1290 CG TYR A 83 -1.326 1.314 -0.681 1.00 0.67 C ATOM 1291 CD1 TYR A 83 -0.435 2.038 0.100 1.00 0.67 C ATOM 1292 CD2 TYR A 83 -2.498 1.939 -1.092 1.00 0.83 C ATOM 1293 CE1 TYR A 83 -0.703 3.342 0.458 1.00 0.72 C ATOM 1294 CE2 TYR A 83 -2.770 3.245 -0.739 1.00 0.90 C ATOM 1295 CZ TYR A 83 -1.869 3.942 0.036 1.00 0.80 C ATOM 1296 OH TYR A 83 -2.133 5.240 0.392 1.00 0.90 O ATOM 0 H TYR A 83 -0.686 -0.950 1.323 1.00 0.49 H new ATOM 0 HA TYR A 83 -2.981 -0.788 -0.469 1.00 0.60 H new ATOM 0 HB2 TYR A 83 -0.001 -0.350 -0.828 1.00 0.66 H new ATOM 0 HB3 TYR A 83 -1.161 -0.234 -2.137 1.00 0.66 H new ATOM 0 HD1 TYR A 83 0.481 1.573 0.432 1.00 0.67 H new ATOM 0 HD2 TYR A 83 -3.207 1.394 -1.697 1.00 0.83 H new ATOM 0 HE1 TYR A 83 -0.001 3.892 1.067 1.00 0.72 H new ATOM 0 HE2 TYR A 83 -3.683 3.718 -1.068 1.00 0.90 H new ATOM 0 HH TYR A 83 -2.783 5.252 1.125 1.00 0.90 H new ATOM 1306 N ALA A 84 -1.264 -3.438 -0.207 1.00 0.51 N ATOM 1307 CA ALA A 84 -1.258 -4.838 -0.615 1.00 0.55 C ATOM 1308 C ALA A 84 -2.638 -5.437 -0.386 1.00 0.61 C ATOM 1309 O ALA A 84 -3.020 -6.425 -1.012 1.00 0.72 O ATOM 1310 CB ALA A 84 -0.205 -5.620 0.154 1.00 0.52 C ATOM 0 H ALA A 84 -0.809 -3.256 0.688 1.00 0.51 H new ATOM 0 HA ALA A 84 -1.011 -4.897 -1.675 1.00 0.55 H new ATOM 0 HB1 ALA A 84 -0.219 -6.662 -0.167 1.00 0.52 H new ATOM 0 HB2 ALA A 84 0.779 -5.193 -0.040 1.00 0.52 H new ATOM 0 HB3 ALA A 84 -0.419 -5.566 1.221 1.00 0.52 H new ATOM 1316 N GLN A 85 -3.370 -4.829 0.538 1.00 0.65 N ATOM 1317 CA GLN A 85 -4.753 -5.195 0.800 1.00 0.79 C ATOM 1318 C GLN A 85 -5.659 -4.555 -0.249 1.00 0.96 C ATOM 1319 O GLN A 85 -6.785 -4.997 -0.480 1.00 1.19 O ATOM 1320 CB GLN A 85 -5.145 -4.736 2.209 1.00 0.85 C ATOM 1321 CG GLN A 85 -6.581 -5.051 2.593 1.00 1.40 C ATOM 1322 CD GLN A 85 -6.928 -4.560 3.983 1.00 2.07 C ATOM 1323 OE1 GLN A 85 -6.075 -4.509 4.869 1.00 2.59 O ATOM 1324 NE2 GLN A 85 -8.176 -4.173 4.179 1.00 2.83 N ATOM 0 H GLN A 85 -3.022 -4.071 1.125 1.00 0.65 H new ATOM 0 HA GLN A 85 -4.867 -6.278 0.742 1.00 0.79 H new ATOM 0 HB2 GLN A 85 -4.477 -5.206 2.931 1.00 0.85 H new ATOM 0 HB3 GLN A 85 -4.989 -3.660 2.284 1.00 0.85 H new ATOM 0 HG2 GLN A 85 -7.256 -4.593 1.870 1.00 1.40 H new ATOM 0 HG3 GLN A 85 -6.740 -6.128 2.541 1.00 1.40 H new ATOM 0 HE21 GLN A 85 -8.853 -4.231 3.419 1.00 2.83 H new ATOM 0 HE22 GLN A 85 -8.462 -3.816 5.091 1.00 2.83 H new ATOM 1333 N GLN A 86 -5.151 -3.501 -0.874 1.00 1.06 N ATOM 1334 CA GLN A 86 -5.878 -2.794 -1.918 1.00 1.32 C ATOM 1335 C GLN A 86 -5.548 -3.385 -3.284 1.00 1.60 C ATOM 1336 O GLN A 86 -4.537 -4.068 -3.444 1.00 1.83 O ATOM 1337 CB GLN A 86 -5.525 -1.304 -1.909 1.00 1.56 C ATOM 1338 CG GLN A 86 -5.715 -0.616 -0.563 1.00 2.25 C ATOM 1339 CD GLN A 86 -7.123 -0.751 -0.015 1.00 2.93 C ATOM 1340 OE1 GLN A 86 -7.996 0.062 -0.306 1.00 3.38 O ATOM 1341 NE2 GLN A 86 -7.344 -1.767 0.802 1.00 3.59 N ATOM 0 H GLN A 86 -4.229 -3.114 -0.673 1.00 1.06 H new ATOM 0 HA GLN A 86 -6.945 -2.906 -1.723 1.00 1.32 H new ATOM 0 HB2 GLN A 86 -4.486 -1.188 -2.218 1.00 1.56 H new ATOM 0 HB3 GLN A 86 -6.138 -0.794 -2.653 1.00 1.56 H new ATOM 0 HG2 GLN A 86 -5.011 -1.037 0.155 1.00 2.25 H new ATOM 0 HG3 GLN A 86 -5.472 0.442 -0.666 1.00 2.25 H new ATOM 0 HE21 GLN A 86 -6.591 -2.421 1.018 1.00 3.59 H new ATOM 0 HE22 GLN A 86 -8.267 -1.897 1.216 1.00 3.59 H new ATOM 1350 N GLY A 87 -6.404 -3.125 -4.263 1.00 1.82 N ATOM 1351 CA GLY A 87 -6.152 -3.588 -5.614 1.00 2.21 C ATOM 1352 C GLY A 87 -6.440 -5.065 -5.775 1.00 2.47 C ATOM 1353 O GLY A 87 -5.867 -5.728 -6.642 1.00 2.96 O ATOM 0 H GLY A 87 -7.271 -2.600 -4.146 1.00 1.82 H new ATOM 0 HA2 GLY A 87 -6.769 -3.021 -6.311 1.00 2.21 H new ATOM 0 HA3 GLY A 87 -5.112 -3.392 -5.876 1.00 2.21 H new ATOM 1357 N VAL A 88 -7.332 -5.578 -4.944 1.00 2.43 N ATOM 1358 CA VAL A 88 -7.665 -6.993 -4.962 1.00 2.94 C ATOM 1359 C VAL A 88 -8.922 -7.253 -5.790 1.00 3.34 C ATOM 1360 O VAL A 88 -9.953 -6.609 -5.591 1.00 3.41 O ATOM 1361 CB VAL A 88 -7.858 -7.550 -3.533 1.00 3.15 C ATOM 1362 CG1 VAL A 88 -6.536 -7.557 -2.784 1.00 3.44 C ATOM 1363 CG2 VAL A 88 -8.898 -6.746 -2.763 1.00 3.59 C ATOM 0 H VAL A 88 -7.840 -5.034 -4.246 1.00 2.43 H new ATOM 0 HA VAL A 88 -6.824 -7.511 -5.424 1.00 2.94 H new ATOM 0 HB VAL A 88 -8.220 -8.575 -3.619 1.00 3.15 H new ATOM 0 HG11 VAL A 88 -6.689 -7.952 -1.780 1.00 3.44 H new ATOM 0 HG12 VAL A 88 -5.820 -8.184 -3.315 1.00 3.44 H new ATOM 0 HG13 VAL A 88 -6.149 -6.540 -2.719 1.00 3.44 H new ATOM 0 HG21 VAL A 88 -9.011 -7.162 -1.762 1.00 3.59 H new ATOM 0 HG22 VAL A 88 -8.574 -5.708 -2.690 1.00 3.59 H new ATOM 0 HG23 VAL A 88 -9.854 -6.792 -3.285 1.00 3.59 H new ATOM 1373 N PRO A 89 -8.839 -8.172 -6.766 1.00 3.89 N ATOM 1374 CA PRO A 89 -10.000 -8.591 -7.555 1.00 4.51 C ATOM 1375 C PRO A 89 -11.060 -9.260 -6.683 1.00 4.91 C ATOM 1376 O PRO A 89 -10.818 -10.318 -6.092 1.00 5.20 O ATOM 1377 CB PRO A 89 -9.422 -9.595 -8.559 1.00 5.05 C ATOM 1378 CG PRO A 89 -7.955 -9.338 -8.575 1.00 4.93 C ATOM 1379 CD PRO A 89 -7.607 -8.852 -7.197 1.00 4.22 C ATOM 0 HA PRO A 89 -10.498 -7.746 -8.031 1.00 4.51 H new ATOM 0 HB2 PRO A 89 -9.638 -10.620 -8.258 1.00 5.05 H new ATOM 0 HB3 PRO A 89 -9.856 -9.455 -9.549 1.00 5.05 H new ATOM 0 HG2 PRO A 89 -7.402 -10.245 -8.820 1.00 4.93 H new ATOM 0 HG3 PRO A 89 -7.697 -8.594 -9.328 1.00 4.93 H new ATOM 0 HD2 PRO A 89 -7.347 -9.676 -6.532 1.00 4.22 H new ATOM 0 HD3 PRO A 89 -6.755 -8.173 -7.212 1.00 4.22 H new ATOM 1387 N GLY A 90 -12.223 -8.635 -6.595 1.00 5.15 N ATOM 1388 CA GLY A 90 -13.298 -9.170 -5.787 1.00 5.78 C ATOM 1389 C GLY A 90 -14.256 -10.020 -6.598 1.00 6.35 C ATOM 1390 O GLY A 90 -13.820 -10.870 -7.375 1.00 6.50 O ATOM 0 H GLY A 90 -12.443 -7.761 -7.072 1.00 5.15 H new ATOM 0 HA2 GLY A 90 -12.879 -9.769 -4.978 1.00 5.78 H new ATOM 0 HA3 GLY A 90 -13.846 -8.349 -5.325 1.00 5.78 H new ATOM 1394 N PRO A 91 -15.570 -9.803 -6.447 1.00 6.96 N ATOM 1395 CA PRO A 91 -16.587 -10.571 -7.170 1.00 7.73 C ATOM 1396 C PRO A 91 -16.540 -10.310 -8.670 1.00 7.82 C ATOM 1397 O PRO A 91 -16.372 -9.168 -9.104 1.00 7.67 O ATOM 1398 CB PRO A 91 -17.916 -10.065 -6.591 1.00 8.43 C ATOM 1399 CG PRO A 91 -17.556 -9.323 -5.348 1.00 8.21 C ATOM 1400 CD PRO A 91 -16.171 -8.791 -5.568 1.00 7.23 C ATOM 0 HA PRO A 91 -16.440 -11.644 -7.050 1.00 7.73 H new ATOM 0 HB2 PRO A 91 -18.430 -9.416 -7.300 1.00 8.43 H new ATOM 0 HB3 PRO A 91 -18.589 -10.894 -6.372 1.00 8.43 H new ATOM 0 HG2 PRO A 91 -18.260 -8.512 -5.160 1.00 8.21 H new ATOM 0 HG3 PRO A 91 -17.588 -9.980 -4.479 1.00 8.21 H new ATOM 0 HD2 PRO A 91 -16.185 -7.806 -6.035 1.00 7.23 H new ATOM 0 HD3 PRO A 91 -15.622 -8.691 -4.631 1.00 7.23 H new ATOM 1408 N SER A 92 -16.665 -11.373 -9.452 1.00 8.30 N ATOM 1409 CA SER A 92 -16.699 -11.264 -10.902 1.00 8.68 C ATOM 1410 C SER A 92 -17.903 -10.426 -11.326 1.00 9.34 C ATOM 1411 O SER A 92 -19.046 -10.779 -11.031 1.00 9.92 O ATOM 1412 CB SER A 92 -16.770 -12.662 -11.525 1.00 9.23 C ATOM 1413 OG SER A 92 -16.726 -12.607 -12.943 1.00 9.34 O ATOM 0 H SER A 92 -16.745 -12.328 -9.102 1.00 8.30 H new ATOM 0 HA SER A 92 -15.791 -10.773 -11.252 1.00 8.68 H new ATOM 0 HB2 SER A 92 -15.941 -13.267 -11.158 1.00 9.23 H new ATOM 0 HB3 SER A 92 -17.689 -13.156 -11.208 1.00 9.23 H new ATOM 0 HG SER A 92 -16.772 -13.516 -13.307 1.00 9.34 H new ATOM 1419 N PRO A 93 -17.659 -9.297 -12.013 1.00 9.44 N ATOM 1420 CA PRO A 93 -18.716 -8.346 -12.377 1.00 10.20 C ATOM 1421 C PRO A 93 -19.731 -8.928 -13.353 1.00 10.96 C ATOM 1422 O PRO A 93 -20.889 -8.510 -13.374 1.00 11.69 O ATOM 1423 CB PRO A 93 -17.956 -7.182 -13.022 1.00 10.25 C ATOM 1424 CG PRO A 93 -16.659 -7.763 -13.466 1.00 9.68 C ATOM 1425 CD PRO A 93 -16.335 -8.855 -12.485 1.00 9.05 C ATOM 0 HA PRO A 93 -19.305 -8.057 -11.506 1.00 10.20 H new ATOM 0 HB2 PRO A 93 -18.511 -6.767 -13.864 1.00 10.25 H new ATOM 0 HB3 PRO A 93 -17.801 -6.370 -12.311 1.00 10.25 H new ATOM 0 HG2 PRO A 93 -16.735 -8.159 -14.479 1.00 9.68 H new ATOM 0 HG3 PRO A 93 -15.876 -7.005 -13.478 1.00 9.68 H new ATOM 0 HD2 PRO A 93 -15.785 -9.669 -12.957 1.00 9.05 H new ATOM 0 HD3 PRO A 93 -15.718 -8.488 -11.665 1.00 9.05 H new ATOM 1433 N ASP A 94 -19.298 -9.898 -14.152 1.00 10.89 N ATOM 1434 CA ASP A 94 -20.172 -10.516 -15.142 1.00 11.70 C ATOM 1435 C ASP A 94 -19.498 -11.741 -15.762 1.00 11.90 C ATOM 1436 O ASP A 94 -18.436 -11.633 -16.378 1.00 11.65 O ATOM 1437 CB ASP A 94 -20.527 -9.502 -16.232 1.00 11.90 C ATOM 1438 CG ASP A 94 -21.578 -10.018 -17.189 1.00 12.41 C ATOM 1439 OD1 ASP A 94 -21.222 -10.747 -18.131 1.00 12.66 O ATOM 1440 OD2 ASP A 94 -22.766 -9.685 -17.011 1.00 12.71 O ATOM 0 H ASP A 94 -18.349 -10.272 -14.133 1.00 10.89 H new ATOM 0 HA ASP A 94 -21.087 -10.839 -14.645 1.00 11.70 H new ATOM 0 HB2 ASP A 94 -20.885 -8.584 -15.766 1.00 11.90 H new ATOM 0 HB3 ASP A 94 -19.627 -9.245 -16.791 1.00 11.90 H new ATOM 1445 N PRO A 95 -20.102 -12.930 -15.573 1.00 12.53 N ATOM 1446 CA PRO A 95 -19.584 -14.200 -16.111 1.00 12.95 C ATOM 1447 C PRO A 95 -19.410 -14.198 -17.626 1.00 13.54 C ATOM 1448 O PRO A 95 -18.444 -14.752 -18.150 1.00 13.87 O ATOM 1449 CB PRO A 95 -20.646 -15.226 -15.705 1.00 13.63 C ATOM 1450 CG PRO A 95 -21.347 -14.616 -14.543 1.00 13.65 C ATOM 1451 CD PRO A 95 -21.330 -13.134 -14.782 1.00 13.03 C ATOM 0 HA PRO A 95 -18.587 -14.407 -15.722 1.00 12.95 H new ATOM 0 HB2 PRO A 95 -21.338 -15.423 -16.524 1.00 13.63 H new ATOM 0 HB3 PRO A 95 -20.191 -16.179 -15.435 1.00 13.63 H new ATOM 0 HG2 PRO A 95 -22.369 -14.987 -14.465 1.00 13.65 H new ATOM 0 HG3 PRO A 95 -20.845 -14.866 -13.609 1.00 13.65 H new ATOM 0 HD2 PRO A 95 -22.216 -12.804 -15.324 1.00 13.03 H new ATOM 0 HD3 PRO A 95 -21.302 -12.576 -13.846 1.00 13.03 H new ATOM 1459 N LEU A 96 -20.341 -13.570 -18.323 1.00 13.80 N ATOM 1460 CA LEU A 96 -20.284 -13.492 -19.779 1.00 14.53 C ATOM 1461 C LEU A 96 -19.132 -12.594 -20.200 1.00 14.23 C ATOM 1462 O LEU A 96 -18.408 -12.888 -21.149 1.00 14.80 O ATOM 1463 CB LEU A 96 -21.603 -12.949 -20.340 1.00 15.02 C ATOM 1464 CG LEU A 96 -21.660 -12.782 -21.861 1.00 15.61 C ATOM 1465 CD1 LEU A 96 -21.802 -14.129 -22.558 1.00 16.37 C ATOM 1466 CD2 LEU A 96 -22.800 -11.855 -22.246 1.00 15.64 C ATOM 0 H LEU A 96 -21.148 -13.105 -17.907 1.00 13.80 H new ATOM 0 HA LEU A 96 -20.125 -14.494 -20.178 1.00 14.53 H new ATOM 0 HB2 LEU A 96 -22.408 -13.618 -20.036 1.00 15.02 H new ATOM 0 HB3 LEU A 96 -21.801 -11.981 -19.879 1.00 15.02 H new ATOM 0 HG LEU A 96 -20.721 -12.336 -22.190 1.00 15.61 H new ATOM 0 HD11 LEU A 96 -21.840 -13.978 -23.637 1.00 16.37 H new ATOM 0 HD12 LEU A 96 -20.948 -14.759 -22.309 1.00 16.37 H new ATOM 0 HD13 LEU A 96 -22.720 -14.615 -22.227 1.00 16.37 H new ATOM 0 HD21 LEU A 96 -22.829 -11.745 -23.330 1.00 15.64 H new ATOM 0 HD22 LEU A 96 -23.744 -12.275 -21.898 1.00 15.64 H new ATOM 0 HD23 LEU A 96 -22.646 -10.879 -21.786 1.00 15.64 H new ATOM 1478 N ASP A 97 -18.972 -11.504 -19.464 1.00 13.43 N ATOM 1479 CA ASP A 97 -17.891 -10.550 -19.684 1.00 13.21 C ATOM 1480 C ASP A 97 -16.529 -11.226 -19.556 1.00 13.07 C ATOM 1481 O ASP A 97 -15.598 -10.924 -20.302 1.00 13.44 O ATOM 1482 CB ASP A 97 -18.008 -9.413 -18.670 1.00 12.47 C ATOM 1483 CG ASP A 97 -16.888 -8.405 -18.773 1.00 12.63 C ATOM 1484 OD1 ASP A 97 -15.866 -8.574 -18.073 1.00 12.59 O ATOM 1485 OD2 ASP A 97 -17.035 -7.426 -19.533 1.00 12.95 O ATOM 0 H ASP A 97 -19.591 -11.254 -18.693 1.00 13.43 H new ATOM 0 HA ASP A 97 -17.975 -10.153 -20.695 1.00 13.21 H new ATOM 0 HB2 ASP A 97 -18.961 -8.903 -18.814 1.00 12.47 H new ATOM 0 HB3 ASP A 97 -18.019 -9.832 -17.664 1.00 12.47 H new ATOM 1490 N ALA A 98 -16.421 -12.140 -18.602 1.00 12.70 N ATOM 1491 CA ALA A 98 -15.188 -12.883 -18.396 1.00 12.73 C ATOM 1492 C ALA A 98 -14.933 -13.827 -19.563 1.00 13.69 C ATOM 1493 O ALA A 98 -13.817 -13.909 -20.079 1.00 14.00 O ATOM 1494 CB ALA A 98 -15.247 -13.654 -17.087 1.00 12.29 C ATOM 0 H ALA A 98 -17.174 -12.384 -17.958 1.00 12.70 H new ATOM 0 HA ALA A 98 -14.361 -12.175 -18.342 1.00 12.73 H new ATOM 0 HB1 ALA A 98 -14.317 -14.205 -16.947 1.00 12.29 H new ATOM 0 HB2 ALA A 98 -15.384 -12.957 -16.260 1.00 12.29 H new ATOM 0 HB3 ALA A 98 -16.083 -14.353 -17.114 1.00 12.29 H new ATOM 1500 N GLN A 99 -15.986 -14.517 -19.985 1.00 14.27 N ATOM 1501 CA GLN A 99 -15.907 -15.455 -21.099 1.00 15.26 C ATOM 1502 C GLN A 99 -15.519 -14.739 -22.389 1.00 15.81 C ATOM 1503 O GLN A 99 -14.554 -15.112 -23.056 1.00 16.48 O ATOM 1504 CB GLN A 99 -17.252 -16.161 -21.283 1.00 15.79 C ATOM 1505 CG GLN A 99 -17.265 -17.180 -22.414 1.00 16.33 C ATOM 1506 CD GLN A 99 -18.614 -17.855 -22.581 1.00 16.76 C ATOM 1507 OE1 GLN A 99 -19.683 -17.141 -22.260 1.00 17.04 O flip ATOM 1508 NE2 GLN A 99 -18.696 -19.009 -23.002 1.00 16.93 N flip ATOM 0 H GLN A 99 -16.914 -14.443 -19.568 1.00 14.27 H new ATOM 0 HA GLN A 99 -15.138 -16.193 -20.870 1.00 15.26 H new ATOM 0 HB2 GLN A 99 -17.518 -16.662 -20.352 1.00 15.79 H new ATOM 0 HB3 GLN A 99 -18.021 -15.412 -21.473 1.00 15.79 H new ATOM 0 HG2 GLN A 99 -16.994 -16.685 -23.346 1.00 16.33 H new ATOM 0 HG3 GLN A 99 -16.506 -17.938 -22.223 1.00 16.33 H new ATOM 0 HE21 GLN A 99 -17.850 -19.527 -23.239 1.00 16.93 H new ATOM 0 HE22 GLN A 99 -19.610 -19.447 -23.114 1.00 16.93 H new ATOM 1517 N LEU A 100 -16.270 -13.700 -22.723 1.00 15.62 N ATOM 1518 CA LEU A 100 -16.040 -12.949 -23.947 1.00 16.22 C ATOM 1519 C LEU A 100 -14.961 -11.894 -23.733 1.00 16.11 C ATOM 1520 O LEU A 100 -15.213 -10.700 -23.860 1.00 16.32 O ATOM 1521 CB LEU A 100 -17.337 -12.282 -24.413 1.00 16.26 C ATOM 1522 CG LEU A 100 -18.495 -13.234 -24.717 1.00 16.59 C ATOM 1523 CD1 LEU A 100 -19.715 -12.456 -25.188 1.00 16.78 C ATOM 1524 CD2 LEU A 100 -18.085 -14.263 -25.761 1.00 17.18 C ATOM 0 H LEU A 100 -17.048 -13.357 -22.160 1.00 15.62 H new ATOM 0 HA LEU A 100 -15.702 -13.643 -24.716 1.00 16.22 H new ATOM 0 HB2 LEU A 100 -17.660 -11.579 -23.645 1.00 16.26 H new ATOM 0 HB3 LEU A 100 -17.124 -11.699 -25.309 1.00 16.26 H new ATOM 0 HG LEU A 100 -18.754 -13.761 -23.799 1.00 16.59 H new ATOM 0 HD11 LEU A 100 -20.529 -13.149 -25.400 1.00 16.78 H new ATOM 0 HD12 LEU A 100 -20.025 -11.759 -24.409 1.00 16.78 H new ATOM 0 HD13 LEU A 100 -19.466 -11.902 -26.093 1.00 16.78 H new ATOM 0 HD21 LEU A 100 -18.923 -14.930 -25.963 1.00 17.18 H new ATOM 0 HD22 LEU A 100 -17.797 -13.754 -26.681 1.00 17.18 H new ATOM 0 HD23 LEU A 100 -17.241 -14.843 -25.388 1.00 17.18 H new ATOM 1536 N ARG A 101 -13.752 -12.349 -23.437 1.00 15.92 N ATOM 1537 CA ARG A 101 -12.647 -11.458 -23.091 1.00 15.95 C ATOM 1538 C ARG A 101 -12.268 -10.522 -24.242 1.00 16.67 C ATOM 1539 O ARG A 101 -11.774 -9.416 -24.010 1.00 16.96 O ATOM 1540 CB ARG A 101 -11.429 -12.274 -22.653 1.00 15.72 C ATOM 1541 CG ARG A 101 -10.953 -13.263 -23.700 1.00 15.56 C ATOM 1542 CD ARG A 101 -9.816 -14.122 -23.181 1.00 15.26 C ATOM 1543 NE ARG A 101 -9.402 -15.114 -24.168 1.00 15.31 N ATOM 1544 CZ ARG A 101 -9.453 -16.431 -23.973 1.00 15.26 C ATOM 1545 NH1 ARG A 101 -9.906 -16.928 -22.824 1.00 15.16 N ATOM 1546 NH2 ARG A 101 -9.058 -17.253 -24.935 1.00 15.49 N ATOM 0 H ARG A 101 -13.507 -13.339 -23.429 1.00 15.92 H new ATOM 0 HA ARG A 101 -12.985 -10.832 -22.265 1.00 15.95 H new ATOM 0 HB2 ARG A 101 -10.613 -11.593 -22.411 1.00 15.72 H new ATOM 0 HB3 ARG A 101 -11.674 -12.815 -21.739 1.00 15.72 H new ATOM 0 HG2 ARG A 101 -11.783 -13.901 -24.002 1.00 15.56 H new ATOM 0 HG3 ARG A 101 -10.626 -12.723 -24.589 1.00 15.56 H new ATOM 0 HD2 ARG A 101 -8.968 -13.488 -22.923 1.00 15.26 H new ATOM 0 HD3 ARG A 101 -10.127 -14.626 -22.266 1.00 15.26 H new ATOM 0 HE ARG A 101 -9.051 -14.778 -25.065 1.00 15.31 H new ATOM 0 HH11 ARG A 101 -10.218 -16.299 -22.084 1.00 15.16 H new ATOM 0 HH12 ARG A 101 -9.941 -17.938 -22.684 1.00 15.16 H new ATOM 0 HH21 ARG A 101 -8.717 -16.876 -25.819 1.00 15.49 H new ATOM 0 HH22 ARG A 101 -9.095 -18.262 -24.791 1.00 15.49 H new ATOM 1560 N ASP A 102 -12.494 -10.951 -25.477 1.00 17.07 N ATOM 1561 CA ASP A 102 -12.171 -10.112 -26.628 1.00 17.84 C ATOM 1562 C ASP A 102 -13.440 -9.570 -27.278 1.00 18.30 C ATOM 1563 O ASP A 102 -13.385 -8.915 -28.320 1.00 18.98 O ATOM 1564 CB ASP A 102 -11.310 -10.865 -27.660 1.00 18.18 C ATOM 1565 CG ASP A 102 -12.035 -12.000 -28.367 1.00 18.44 C ATOM 1566 OD1 ASP A 102 -11.955 -13.153 -27.888 1.00 18.58 O ATOM 1567 OD2 ASP A 102 -12.655 -11.754 -29.424 1.00 18.62 O ATOM 0 H ASP A 102 -12.894 -11.861 -25.708 1.00 17.07 H new ATOM 0 HA ASP A 102 -11.583 -9.270 -26.262 1.00 17.84 H new ATOM 0 HB2 ASP A 102 -10.954 -10.155 -28.407 1.00 18.18 H new ATOM 0 HB3 ASP A 102 -10.430 -11.268 -27.158 1.00 18.18 H new ATOM 1572 N LEU A 103 -14.577 -9.811 -26.638 1.00 18.02 N ATOM 1573 CA LEU A 103 -15.858 -9.362 -27.165 1.00 18.52 C ATOM 1574 C LEU A 103 -16.746 -8.835 -26.034 1.00 18.60 C ATOM 1575 O LEU A 103 -17.849 -9.331 -25.800 1.00 18.46 O ATOM 1576 CB LEU A 103 -16.548 -10.509 -27.917 1.00 18.53 C ATOM 1577 CG LEU A 103 -17.820 -10.130 -28.682 1.00 18.76 C ATOM 1578 CD1 LEU A 103 -17.510 -9.119 -29.777 1.00 18.95 C ATOM 1579 CD2 LEU A 103 -18.476 -11.371 -29.269 1.00 19.25 C ATOM 0 H LEU A 103 -14.638 -10.315 -25.753 1.00 18.02 H new ATOM 0 HA LEU A 103 -15.686 -8.545 -27.866 1.00 18.52 H new ATOM 0 HB2 LEU A 103 -15.836 -10.937 -28.622 1.00 18.53 H new ATOM 0 HB3 LEU A 103 -16.797 -11.292 -27.200 1.00 18.53 H new ATOM 0 HG LEU A 103 -18.517 -9.669 -27.982 1.00 18.76 H new ATOM 0 HD11 LEU A 103 -18.428 -8.864 -30.307 1.00 18.95 H new ATOM 0 HD12 LEU A 103 -17.086 -8.219 -29.332 1.00 18.95 H new ATOM 0 HD13 LEU A 103 -16.794 -9.549 -30.477 1.00 18.95 H new ATOM 0 HD21 LEU A 103 -19.378 -11.085 -29.809 1.00 19.25 H new ATOM 0 HD22 LEU A 103 -17.783 -11.860 -29.954 1.00 19.25 H new ATOM 0 HD23 LEU A 103 -18.738 -12.059 -28.465 1.00 19.25 H new ATOM 1591 N ARG A 104 -16.251 -7.824 -25.334 1.00 18.97 N ATOM 1592 CA ARG A 104 -16.978 -7.227 -24.220 1.00 19.25 C ATOM 1593 C ARG A 104 -17.712 -5.970 -24.670 1.00 20.06 C ATOM 1594 O ARG A 104 -17.279 -4.850 -24.387 1.00 20.50 O ATOM 1595 CB ARG A 104 -16.016 -6.893 -23.077 1.00 19.28 C ATOM 1596 CG ARG A 104 -15.405 -8.120 -22.430 1.00 19.23 C ATOM 1597 CD ARG A 104 -14.284 -7.761 -21.470 1.00 19.25 C ATOM 1598 NE ARG A 104 -13.778 -8.941 -20.772 1.00 19.28 N ATOM 1599 CZ ARG A 104 -12.500 -9.138 -20.453 1.00 19.27 C ATOM 1600 NH1 ARG A 104 -11.577 -8.237 -20.771 1.00 19.22 N ATOM 1601 NH2 ARG A 104 -12.144 -10.244 -19.813 1.00 19.43 N ATOM 0 H ARG A 104 -15.343 -7.397 -25.519 1.00 18.97 H new ATOM 0 HA ARG A 104 -17.713 -7.949 -23.864 1.00 19.25 H new ATOM 0 HB2 ARG A 104 -15.218 -6.256 -23.458 1.00 19.28 H new ATOM 0 HB3 ARG A 104 -16.549 -6.318 -22.319 1.00 19.28 H new ATOM 0 HG2 ARG A 104 -16.179 -8.670 -21.894 1.00 19.23 H new ATOM 0 HG3 ARG A 104 -15.020 -8.784 -23.204 1.00 19.23 H new ATOM 0 HD2 ARG A 104 -13.471 -7.286 -22.019 1.00 19.25 H new ATOM 0 HD3 ARG A 104 -14.645 -7.034 -20.743 1.00 19.25 H new ATOM 0 HE ARG A 104 -14.450 -9.663 -20.511 1.00 19.28 H new ATOM 0 HH11 ARG A 104 -11.844 -7.385 -21.264 1.00 19.22 H new ATOM 0 HH12 ARG A 104 -10.601 -8.397 -20.522 1.00 19.22 H new ATOM 0 HH21 ARG A 104 -12.848 -10.940 -19.567 1.00 19.43 H new ATOM 0 HH22 ARG A 104 -11.166 -10.399 -19.567 1.00 19.43 H new ATOM 1615 N GLN A 105 -18.815 -6.158 -25.381 1.00 20.36 N ATOM 1616 CA GLN A 105 -19.605 -5.039 -25.877 1.00 21.23 C ATOM 1617 C GLN A 105 -21.033 -5.122 -25.365 1.00 21.37 C ATOM 1618 O GLN A 105 -21.500 -4.234 -24.652 1.00 21.50 O ATOM 1619 CB GLN A 105 -19.603 -5.013 -27.408 1.00 21.68 C ATOM 1620 CG GLN A 105 -18.217 -4.881 -28.016 1.00 21.75 C ATOM 1621 CD GLN A 105 -17.481 -3.647 -27.528 1.00 22.27 C ATOM 1622 OE1 GLN A 105 -18.091 -2.626 -27.204 1.00 22.48 O ATOM 1623 NE2 GLN A 105 -16.163 -3.736 -27.469 1.00 22.61 N ATOM 0 H GLN A 105 -19.184 -7.076 -25.628 1.00 20.36 H new ATOM 0 HA GLN A 105 -19.152 -4.118 -25.509 1.00 21.23 H new ATOM 0 HB2 GLN A 105 -20.067 -5.927 -27.778 1.00 21.68 H new ATOM 0 HB3 GLN A 105 -20.220 -4.182 -27.749 1.00 21.68 H new ATOM 0 HG2 GLN A 105 -17.632 -5.768 -27.774 1.00 21.75 H new ATOM 0 HG3 GLN A 105 -18.303 -4.843 -29.102 1.00 21.75 H new ATOM 0 HE21 GLN A 105 -15.697 -4.600 -27.747 1.00 22.61 H new ATOM 0 HE22 GLN A 105 -15.612 -2.941 -27.146 1.00 22.61 H new ATOM 1632 N LEU A 106 -21.701 -6.206 -25.735 1.00 21.46 N ATOM 1633 CA LEU A 106 -23.088 -6.458 -25.357 1.00 21.72 C ATOM 1634 C LEU A 106 -24.005 -5.352 -25.876 1.00 22.33 C ATOM 1635 O LEU A 106 -24.241 -4.366 -25.148 1.00 22.57 O ATOM 1636 CB LEU A 106 -23.224 -6.601 -23.836 1.00 21.49 C ATOM 1637 CG LEU A 106 -24.620 -6.991 -23.342 1.00 21.39 C ATOM 1638 CD1 LEU A 106 -25.005 -8.373 -23.852 1.00 21.44 C ATOM 1639 CD2 LEU A 106 -24.675 -6.947 -21.827 1.00 21.35 C ATOM 1640 OXT LEU A 106 -24.492 -5.478 -27.017 1.00 22.66 O ATOM 0 H LEU A 106 -21.293 -6.943 -26.311 1.00 21.46 H new ATOM 0 HA LEU A 106 -23.394 -7.398 -25.817 1.00 21.72 H new ATOM 0 HB2 LEU A 106 -22.511 -7.351 -23.492 1.00 21.49 H new ATOM 0 HB3 LEU A 106 -22.942 -5.656 -23.371 1.00 21.49 H new ATOM 0 HG LEU A 106 -25.338 -6.271 -23.736 1.00 21.39 H new ATOM 0 HD11 LEU A 106 -26.000 -8.630 -23.489 1.00 21.44 H new ATOM 0 HD12 LEU A 106 -25.005 -8.372 -24.942 1.00 21.44 H new ATOM 0 HD13 LEU A 106 -24.286 -9.108 -23.490 1.00 21.44 H new ATOM 0 HD21 LEU A 106 -25.673 -7.227 -21.491 1.00 21.35 H new ATOM 0 HD22 LEU A 106 -23.945 -7.645 -21.416 1.00 21.35 H new ATOM 0 HD23 LEU A 106 -24.446 -5.938 -21.484 1.00 21.35 H new TER 1652 LEU A 106