USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 947 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 119 GLN :FLIP amide:sc= -0.116 F(o=-2.4!,f=-0.91) USER MOD Set 1.2: A 123 GLN : amide:sc= -0.79 X(o=-0.91,f=-1.4) USER MOD Set 2.1: A 96 THR OG1 : rot 177:sc= 0.36 USER MOD Set 2.2: A 101 THR OG1 : rot 170:sc= 0.392 USER MOD Set 3.1: A 52 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 69 SER OG : rot -128:sc= 0.0285 USER MOD Single : A 20 HIS : no HD1:sc= -0.219 X(o=-0.22,f=-0.26) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 0.227 (180deg=0.0365) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.0806 USER MOD Single : A 26 GLN : amide:sc= -0.996 K(o=-1,f=-3.4!) USER MOD Single : A 27 GLN : amide:sc= -0.035 K(o=-0.035,f=-1.6) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 44 ASN : amide:sc= 0.00775 X(o=0.0077,f=0.42) USER MOD Single : A 48 ASN : amide:sc= 0.192 K(o=0.19,f=-1.5) USER MOD Single : A 49 GLN : amide:sc= 0.656 K(o=0.66,f=-0.48) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0.111 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0511 USER MOD Single : A 68 TYR OH : rot 150:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= -0.005 X(o=-0.005,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 167:sc= 1.99 (180deg=1.57) USER MOD Single : A 89 GLN : amide:sc= -0.474 X(o=-0.47,f=-0.84) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ -132:sc= 0.876 (180deg=-0.0219) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= 1.15 K(o=1.1,f=0) USER MOD Single : A 100 ASN :FLIP amide:sc= -0.272 F(o=-1,f=-0.27) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.164 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0.0366 X(o=0.037,f=-0.24) USER MOD Single : A 114 LYS NZ :NH3+ 153:sc= 0.755 (180deg=0.282) USER MOD Single : A 115 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00856) USER MOD Single : A 118 TYR OH : rot 180:sc= -0.2 USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -5.424 -20.639 -1.157 1.00 0.00 N ATOM 2 CA GLY A 19 -4.715 -19.446 -0.685 1.00 0.00 C ATOM 3 C GLY A 19 -5.611 -18.220 -0.707 1.00 0.00 C ATOM 4 O GLY A 19 -6.053 -17.782 0.357 1.00 0.00 O ATOM 0 HA2 GLY A 19 -4.352 -19.615 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -3.840 -19.270 -1.311 1.00 0.00 H new ATOM 8 N HIS A 20 -5.834 -17.625 -1.885 1.00 0.00 N ATOM 9 CA HIS A 20 -6.490 -16.329 -2.075 1.00 0.00 C ATOM 10 C HIS A 20 -7.952 -16.355 -1.596 1.00 0.00 C ATOM 11 O HIS A 20 -8.811 -16.832 -2.339 1.00 0.00 O ATOM 12 CB HIS A 20 -6.413 -15.928 -3.565 1.00 0.00 C ATOM 13 CG HIS A 20 -5.092 -16.214 -4.233 1.00 0.00 C ATOM 14 ND1 HIS A 20 -4.847 -17.234 -5.131 1.00 0.00 N ATOM 15 CD2 HIS A 20 -3.926 -15.521 -4.054 1.00 0.00 C ATOM 16 CE1 HIS A 20 -3.553 -17.163 -5.484 1.00 0.00 C ATOM 17 NE2 HIS A 20 -2.948 -16.148 -4.837 1.00 0.00 N ATOM 0 H HIS A 20 -5.550 -18.052 -2.767 1.00 0.00 H new ATOM 0 HA HIS A 20 -5.967 -15.588 -1.471 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -7.199 -16.452 -4.108 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -6.623 -14.862 -3.650 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -3.786 -14.653 -3.427 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.067 -17.825 -6.186 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.965 -15.886 -4.904 1.00 0.00 H new ATOM 25 N MET A 21 -8.275 -15.883 -0.386 1.00 0.00 N ATOM 26 CA MET A 21 -9.671 -15.792 0.052 1.00 0.00 C ATOM 27 C MET A 21 -9.824 -14.722 1.136 1.00 0.00 C ATOM 28 O MET A 21 -9.005 -14.658 2.059 1.00 0.00 O ATOM 29 CB MET A 21 -10.164 -17.172 0.534 1.00 0.00 C ATOM 30 CG MET A 21 -11.686 -17.212 0.684 1.00 0.00 C ATOM 31 SD MET A 21 -12.354 -18.829 1.159 1.00 0.00 S ATOM 32 CE MET A 21 -14.074 -18.326 1.398 1.00 0.00 C ATOM 0 H MET A 21 -7.594 -15.561 0.302 1.00 0.00 H new ATOM 0 HA MET A 21 -10.293 -15.491 -0.791 1.00 0.00 H new ATOM 0 HB2 MET A 21 -9.848 -17.938 -0.174 1.00 0.00 H new ATOM 0 HB3 MET A 21 -9.698 -17.411 1.490 1.00 0.00 H new ATOM 0 HG2 MET A 21 -11.984 -16.477 1.431 1.00 0.00 H new ATOM 0 HG3 MET A 21 -12.139 -16.909 -0.260 1.00 0.00 H new ATOM 0 HE1 MET A 21 -14.667 -19.190 1.699 1.00 0.00 H new ATOM 0 HE2 MET A 21 -14.125 -17.562 2.174 1.00 0.00 H new ATOM 0 HE3 MET A 21 -14.468 -17.923 0.465 1.00 0.00 H new ATOM 42 N LYS A 22 -10.904 -13.933 1.036 1.00 0.00 N ATOM 43 CA LYS A 22 -11.212 -12.688 1.748 1.00 0.00 C ATOM 44 C LYS A 22 -10.361 -11.568 1.169 1.00 0.00 C ATOM 45 O LYS A 22 -9.181 -11.453 1.514 1.00 0.00 O ATOM 46 CB LYS A 22 -11.041 -12.759 3.272 1.00 0.00 C ATOM 47 CG LYS A 22 -11.798 -13.908 3.954 1.00 0.00 C ATOM 48 CD LYS A 22 -11.386 -14.036 5.429 1.00 0.00 C ATOM 49 CE LYS A 22 -10.174 -14.955 5.675 1.00 0.00 C ATOM 50 NZ LYS A 22 -8.935 -14.536 4.980 1.00 0.00 N ATOM 0 H LYS A 22 -11.656 -14.176 0.391 1.00 0.00 H new ATOM 0 HA LYS A 22 -12.274 -12.497 1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.980 -12.857 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -11.375 -11.816 3.705 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.872 -13.733 3.886 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.594 -14.843 3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -11.158 -13.043 5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.235 -14.414 5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.978 -14.998 6.746 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.430 -15.966 5.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.134 -15.101 5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.044 -14.684 3.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.756 -13.529 5.167 1.00 0.00 H new ATOM 64 N PHE A 23 -10.969 -10.732 0.323 1.00 0.00 N ATOM 65 CA PHE A 23 -10.314 -9.618 -0.365 1.00 0.00 C ATOM 66 C PHE A 23 -9.107 -10.135 -1.176 1.00 0.00 C ATOM 67 O PHE A 23 -8.923 -11.351 -1.298 1.00 0.00 O ATOM 68 CB PHE A 23 -10.020 -8.483 0.639 1.00 0.00 C ATOM 69 CG PHE A 23 -11.209 -7.571 0.917 1.00 0.00 C ATOM 70 CD1 PHE A 23 -12.500 -8.076 1.179 1.00 0.00 C ATOM 71 CD2 PHE A 23 -11.029 -6.181 0.843 1.00 0.00 C ATOM 72 CE1 PHE A 23 -13.590 -7.200 1.298 1.00 0.00 C ATOM 73 CE2 PHE A 23 -12.118 -5.303 0.953 1.00 0.00 C ATOM 74 CZ PHE A 23 -13.409 -5.813 1.170 1.00 0.00 C ATOM 0 H PHE A 23 -11.959 -10.815 0.092 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.971 -9.167 -1.109 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.686 -8.922 1.579 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.196 -7.880 0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -12.650 -9.140 1.288 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.036 -5.781 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -14.576 -7.596 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.964 -4.237 0.871 1.00 0.00 H new ATOM 0 HZ PHE A 23 -14.255 -5.145 1.238 1.00 0.00 H new ATOM 84 N THR A 24 -8.309 -9.264 -1.798 1.00 0.00 N ATOM 85 CA THR A 24 -7.177 -9.683 -2.625 1.00 0.00 C ATOM 86 C THR A 24 -5.985 -8.753 -2.441 1.00 0.00 C ATOM 87 O THR A 24 -6.155 -7.589 -2.086 1.00 0.00 O ATOM 88 CB THR A 24 -7.601 -9.780 -4.099 1.00 0.00 C ATOM 89 OG1 THR A 24 -8.422 -8.712 -4.512 1.00 0.00 O ATOM 90 CG2 THR A 24 -8.381 -11.063 -4.353 1.00 0.00 C ATOM 0 H THR A 24 -8.429 -8.253 -1.743 1.00 0.00 H new ATOM 0 HA THR A 24 -6.860 -10.674 -2.300 1.00 0.00 H new ATOM 0 HB THR A 24 -6.670 -9.756 -4.666 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.658 -8.827 -5.456 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.671 -11.111 -5.403 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.757 -11.923 -4.110 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.274 -11.075 -3.729 1.00 0.00 H new ATOM 98 N ASP A 25 -4.774 -9.273 -2.668 1.00 0.00 N ATOM 99 CA ASP A 25 -3.525 -8.606 -2.294 1.00 0.00 C ATOM 100 C ASP A 25 -3.387 -7.267 -3.015 1.00 0.00 C ATOM 101 O ASP A 25 -2.941 -6.288 -2.419 1.00 0.00 O ATOM 102 CB ASP A 25 -2.300 -9.478 -2.616 1.00 0.00 C ATOM 103 CG ASP A 25 -2.268 -10.811 -1.868 1.00 0.00 C ATOM 104 OD1 ASP A 25 -1.951 -10.845 -0.662 1.00 0.00 O ATOM 105 OD2 ASP A 25 -2.522 -11.856 -2.514 1.00 0.00 O ATOM 0 H ASP A 25 -4.633 -10.176 -3.120 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.564 -8.439 -1.218 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.279 -9.675 -3.688 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.396 -8.918 -2.377 1.00 0.00 H new ATOM 110 N GLN A 26 -3.789 -7.199 -4.292 1.00 0.00 N ATOM 111 CA GLN A 26 -3.654 -5.978 -5.085 1.00 0.00 C ATOM 112 C GLN A 26 -4.522 -4.879 -4.474 1.00 0.00 C ATOM 113 O GLN A 26 -4.044 -3.772 -4.232 1.00 0.00 O ATOM 114 CB GLN A 26 -4.013 -6.156 -6.571 1.00 0.00 C ATOM 115 CG GLN A 26 -3.782 -7.551 -7.160 1.00 0.00 C ATOM 116 CD GLN A 26 -5.095 -8.311 -7.263 1.00 0.00 C ATOM 117 OE1 GLN A 26 -5.421 -9.103 -6.390 1.00 0.00 O ATOM 118 NE2 GLN A 26 -5.906 -8.053 -8.275 1.00 0.00 N ATOM 0 H GLN A 26 -4.211 -7.980 -4.795 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.599 -5.705 -5.058 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.064 -5.898 -6.703 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.433 -5.439 -7.152 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.327 -7.465 -8.147 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.083 -8.105 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.625 -7.391 -8.998 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.813 -8.516 -8.333 1.00 0.00 H new ATOM 127 N GLN A 27 -5.789 -5.218 -4.215 1.00 0.00 N ATOM 128 CA GLN A 27 -6.803 -4.317 -3.690 1.00 0.00 C ATOM 129 C GLN A 27 -6.357 -3.797 -2.315 1.00 0.00 C ATOM 130 O GLN A 27 -6.374 -2.590 -2.070 1.00 0.00 O ATOM 131 CB GLN A 27 -8.143 -5.076 -3.619 1.00 0.00 C ATOM 132 CG GLN A 27 -8.678 -5.617 -4.970 1.00 0.00 C ATOM 133 CD GLN A 27 -9.394 -4.607 -5.867 1.00 0.00 C ATOM 134 OE1 GLN A 27 -10.026 -3.675 -5.373 1.00 0.00 O ATOM 135 NE2 GLN A 27 -9.393 -4.802 -7.178 1.00 0.00 N ATOM 0 H GLN A 27 -6.142 -6.162 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.935 -3.452 -4.339 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -8.029 -5.914 -2.932 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.894 -4.412 -3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.840 -6.036 -5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -9.365 -6.438 -4.762 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.865 -5.578 -7.578 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.920 -4.176 -7.787 1.00 0.00 H new ATOM 144 N ILE A 28 -5.904 -4.695 -1.434 1.00 0.00 N ATOM 145 CA ILE A 28 -5.457 -4.347 -0.088 1.00 0.00 C ATOM 146 C ILE A 28 -4.262 -3.390 -0.157 1.00 0.00 C ATOM 147 O ILE A 28 -4.179 -2.464 0.650 1.00 0.00 O ATOM 148 CB ILE A 28 -5.152 -5.641 0.708 1.00 0.00 C ATOM 149 CG1 ILE A 28 -6.430 -6.488 0.939 1.00 0.00 C ATOM 150 CG2 ILE A 28 -4.501 -5.301 2.060 1.00 0.00 C ATOM 151 CD1 ILE A 28 -6.136 -7.929 1.390 1.00 0.00 C ATOM 0 H ILE A 28 -5.838 -5.692 -1.640 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.247 -3.818 0.446 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.458 -6.233 0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.050 -5.999 1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -7.010 -6.515 0.017 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.294 -6.221 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.569 -4.762 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.179 -4.678 2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.075 -8.464 1.533 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.542 -8.435 0.628 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.582 -7.911 2.329 1.00 0.00 H new ATOM 163 N GLY A 29 -3.343 -3.582 -1.106 1.00 0.00 N ATOM 164 CA GLY A 29 -2.163 -2.736 -1.215 1.00 0.00 C ATOM 165 C GLY A 29 -2.473 -1.307 -1.650 1.00 0.00 C ATOM 166 O GLY A 29 -1.662 -0.413 -1.397 1.00 0.00 O ATOM 0 H GLY A 29 -3.398 -4.319 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.654 -2.711 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.471 -3.182 -1.929 1.00 0.00 H new ATOM 170 N VAL A 30 -3.637 -1.061 -2.258 1.00 0.00 N ATOM 171 CA VAL A 30 -4.091 0.297 -2.521 1.00 0.00 C ATOM 172 C VAL A 30 -4.461 0.924 -1.185 1.00 0.00 C ATOM 173 O VAL A 30 -3.962 1.993 -0.841 1.00 0.00 O ATOM 174 CB VAL A 30 -5.257 0.291 -3.526 1.00 0.00 C ATOM 175 CG1 VAL A 30 -5.790 1.695 -3.810 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.782 -0.311 -4.850 1.00 0.00 C ATOM 0 H VAL A 30 -4.278 -1.788 -2.575 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.306 0.895 -2.984 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.059 -0.299 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.611 1.635 -4.525 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.148 2.143 -2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -4.992 2.310 -4.225 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.606 -0.316 -5.564 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.961 0.286 -5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.440 -1.332 -4.683 1.00 0.00 H new ATOM 186 N LEU A 31 -5.314 0.252 -0.408 1.00 0.00 N ATOM 187 CA LEU A 31 -5.795 0.807 0.848 1.00 0.00 C ATOM 188 C LEU A 31 -4.640 0.993 1.837 1.00 0.00 C ATOM 189 O LEU A 31 -4.614 1.978 2.572 1.00 0.00 O ATOM 190 CB LEU A 31 -6.910 -0.064 1.441 1.00 0.00 C ATOM 191 CG LEU A 31 -8.128 -0.321 0.529 1.00 0.00 C ATOM 192 CD1 LEU A 31 -9.295 -0.786 1.404 1.00 0.00 C ATOM 193 CD2 LEU A 31 -8.596 0.899 -0.271 1.00 0.00 C ATOM 0 H LEU A 31 -5.681 -0.673 -0.630 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.220 1.790 0.647 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.482 -1.026 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.262 0.407 2.359 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.812 -1.069 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -10.167 -0.973 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -9.017 -1.703 1.923 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.532 -0.013 2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.455 0.625 -0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.879 1.697 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -7.787 1.244 -0.915 1.00 0.00 H new ATOM 205 N ALA A 32 -3.663 0.081 1.844 1.00 0.00 N ATOM 206 CA ALA A 32 -2.421 0.238 2.597 1.00 0.00 C ATOM 207 C ALA A 32 -1.711 1.548 2.247 1.00 0.00 C ATOM 208 O ALA A 32 -1.342 2.293 3.154 1.00 0.00 O ATOM 209 CB ALA A 32 -1.498 -0.967 2.373 1.00 0.00 C ATOM 0 H ALA A 32 -3.715 -0.794 1.322 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.677 0.282 3.656 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.578 -0.832 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.999 -1.876 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.260 -1.051 1.313 1.00 0.00 H new ATOM 215 N GLY A 33 -1.526 1.839 0.958 1.00 0.00 N ATOM 216 CA GLY A 33 -0.914 3.088 0.540 1.00 0.00 C ATOM 217 C GLY A 33 -1.789 4.292 0.890 1.00 0.00 C ATOM 218 O GLY A 33 -1.262 5.338 1.250 1.00 0.00 O ATOM 0 H GLY A 33 -1.793 1.223 0.191 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.059 3.194 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.739 3.066 -0.536 1.00 0.00 H new ATOM 222 N LEU A 34 -3.120 4.172 0.844 1.00 0.00 N ATOM 223 CA LEU A 34 -3.993 5.291 1.198 1.00 0.00 C ATOM 224 C LEU A 34 -3.865 5.675 2.676 1.00 0.00 C ATOM 225 O LEU A 34 -4.063 6.837 3.024 1.00 0.00 O ATOM 226 CB LEU A 34 -5.461 5.014 0.833 1.00 0.00 C ATOM 227 CG LEU A 34 -5.761 4.995 -0.679 1.00 0.00 C ATOM 228 CD1 LEU A 34 -7.238 4.641 -0.894 1.00 0.00 C ATOM 229 CD2 LEU A 34 -5.465 6.340 -1.357 1.00 0.00 C ATOM 0 H LEU A 34 -3.610 3.321 0.568 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.657 6.141 0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.751 4.053 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.087 5.773 1.303 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.108 4.249 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.457 4.626 -1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.443 3.659 -0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.866 5.386 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.694 6.270 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.079 7.119 -0.904 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.411 6.588 -1.228 1.00 0.00 H new ATOM 241 N ALA A 35 -3.503 4.742 3.561 1.00 0.00 N ATOM 242 CA ALA A 35 -3.209 5.081 4.949 1.00 0.00 C ATOM 243 C ALA A 35 -1.832 5.741 5.118 1.00 0.00 C ATOM 244 O ALA A 35 -1.556 6.274 6.194 1.00 0.00 O ATOM 245 CB ALA A 35 -3.307 3.825 5.822 1.00 0.00 C ATOM 0 H ALA A 35 -3.408 3.751 3.339 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.951 5.813 5.269 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.087 4.084 6.858 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.315 3.415 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.590 3.082 5.473 1.00 0.00 H new ATOM 251 N ILE A 36 -0.941 5.683 4.125 1.00 0.00 N ATOM 252 CA ILE A 36 0.471 6.024 4.249 1.00 0.00 C ATOM 253 C ILE A 36 0.856 6.859 3.020 1.00 0.00 C ATOM 254 O ILE A 36 1.331 6.329 2.019 1.00 0.00 O ATOM 255 CB ILE A 36 1.322 4.737 4.391 1.00 0.00 C ATOM 256 CG1 ILE A 36 0.934 3.776 5.543 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.823 5.064 4.505 1.00 0.00 C ATOM 258 CD1 ILE A 36 1.034 4.273 6.986 1.00 0.00 C ATOM 0 H ILE A 36 -1.195 5.387 3.183 1.00 0.00 H new ATOM 0 HA ILE A 36 0.661 6.612 5.147 1.00 0.00 H new ATOM 0 HB ILE A 36 1.100 4.200 3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.095 3.458 5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.560 2.888 5.456 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.391 4.139 4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.148 5.596 3.611 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.994 5.689 5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.727 3.479 7.666 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.064 4.558 7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.383 5.137 7.119 1.00 0.00 H new ATOM 270 N SER A 37 0.710 8.181 3.116 1.00 0.00 N ATOM 271 CA SER A 37 1.009 9.128 2.048 1.00 0.00 C ATOM 272 C SER A 37 0.059 8.904 0.848 1.00 0.00 C ATOM 273 O SER A 37 0.528 8.678 -0.269 1.00 0.00 O ATOM 274 CB SER A 37 2.519 9.044 1.722 1.00 0.00 C ATOM 275 OG SER A 37 3.116 10.314 1.498 1.00 0.00 O ATOM 0 H SER A 37 0.370 8.633 3.965 1.00 0.00 H new ATOM 0 HA SER A 37 0.819 10.156 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.034 8.548 2.544 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.659 8.423 0.837 1.00 0.00 H new ATOM 0 HG SER A 37 4.068 10.197 1.299 1.00 0.00 H new ATOM 281 N PRO A 38 -1.272 9.041 1.026 1.00 0.00 N ATOM 282 CA PRO A 38 -2.250 8.827 -0.039 1.00 0.00 C ATOM 283 C PRO A 38 -2.014 9.737 -1.240 1.00 0.00 C ATOM 284 O PRO A 38 -2.271 9.328 -2.365 1.00 0.00 O ATOM 285 CB PRO A 38 -3.627 9.120 0.571 1.00 0.00 C ATOM 286 CG PRO A 38 -3.300 9.983 1.782 1.00 0.00 C ATOM 287 CD PRO A 38 -1.953 9.446 2.245 1.00 0.00 C ATOM 0 HA PRO A 38 -2.169 7.805 -0.410 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.275 9.643 -0.132 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.143 8.204 0.858 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.242 11.039 1.519 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.059 9.889 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.386 10.209 2.779 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.076 8.604 2.927 1.00 0.00 H new ATOM 295 N GLU A 39 -1.537 10.962 -1.017 1.00 0.00 N ATOM 296 CA GLU A 39 -1.254 11.917 -2.090 1.00 0.00 C ATOM 297 C GLU A 39 -0.130 11.427 -3.003 1.00 0.00 C ATOM 298 O GLU A 39 -0.193 11.666 -4.208 1.00 0.00 O ATOM 299 CB GLU A 39 -0.852 13.255 -1.476 1.00 0.00 C ATOM 300 CG GLU A 39 -2.052 13.969 -0.841 1.00 0.00 C ATOM 301 CD GLU A 39 -1.695 14.920 0.303 1.00 0.00 C ATOM 302 OE1 GLU A 39 -0.510 15.034 0.700 1.00 0.00 O ATOM 303 OE2 GLU A 39 -2.668 15.450 0.895 1.00 0.00 O ATOM 0 H GLU A 39 -1.335 11.321 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.156 12.025 -2.693 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.083 13.093 -0.721 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.414 13.892 -2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.574 14.532 -1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.749 13.218 -0.468 1.00 0.00 H new ATOM 310 N TRP A 40 0.869 10.725 -2.452 1.00 0.00 N ATOM 311 CA TRP A 40 1.930 10.125 -3.251 1.00 0.00 C ATOM 312 C TRP A 40 1.289 9.056 -4.129 1.00 0.00 C ATOM 313 O TRP A 40 1.345 9.157 -5.350 1.00 0.00 O ATOM 314 CB TRP A 40 3.055 9.575 -2.362 1.00 0.00 C ATOM 315 CG TRP A 40 4.038 8.640 -3.005 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.075 8.991 -3.799 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.058 7.178 -2.957 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.805 7.866 -4.126 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.210 6.713 -3.659 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.180 6.195 -2.449 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.507 5.347 -3.799 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.411 4.825 -2.669 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.591 4.398 -3.310 1.00 0.00 C ATOM 0 H TRP A 40 0.959 10.562 -1.449 1.00 0.00 H new ATOM 0 HA TRP A 40 2.409 10.871 -3.886 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.609 10.421 -1.955 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.598 9.058 -1.519 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.298 9.996 -4.126 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.680 7.885 -4.650 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.314 6.501 -1.881 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.424 5.031 -4.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.681 4.098 -2.345 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.792 3.343 -3.426 1.00 0.00 H new ATOM 334 N LEU A 41 0.587 8.095 -3.523 1.00 0.00 N ATOM 335 CA LEU A 41 -0.105 7.035 -4.255 1.00 0.00 C ATOM 336 C LEU A 41 -0.946 7.639 -5.384 1.00 0.00 C ATOM 337 O LEU A 41 -0.804 7.250 -6.543 1.00 0.00 O ATOM 338 CB LEU A 41 -0.908 6.185 -3.256 1.00 0.00 C ATOM 339 CG LEU A 41 -1.744 5.047 -3.883 1.00 0.00 C ATOM 340 CD1 LEU A 41 -1.954 3.963 -2.822 1.00 0.00 C ATOM 341 CD2 LEU A 41 -3.123 5.516 -4.358 1.00 0.00 C ATOM 0 H LEU A 41 0.483 8.031 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 41 0.602 6.365 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.216 5.751 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.577 6.842 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.198 4.678 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.543 3.149 -3.245 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.987 3.580 -2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.482 4.387 -1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.665 4.674 -4.789 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.684 5.913 -3.512 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.003 6.295 -5.111 1.00 0.00 H new ATOM 353 N LYS A 42 -1.764 8.646 -5.071 1.00 0.00 N ATOM 354 CA LYS A 42 -2.591 9.363 -6.030 1.00 0.00 C ATOM 355 C LYS A 42 -1.766 9.944 -7.177 1.00 0.00 C ATOM 356 O LYS A 42 -2.072 9.649 -8.340 1.00 0.00 O ATOM 357 CB LYS A 42 -3.431 10.412 -5.287 1.00 0.00 C ATOM 358 CG LYS A 42 -4.635 9.785 -4.560 1.00 0.00 C ATOM 359 CD LYS A 42 -5.317 10.820 -3.657 1.00 0.00 C ATOM 360 CE LYS A 42 -6.662 10.303 -3.137 1.00 0.00 C ATOM 361 NZ LYS A 42 -7.333 11.275 -2.248 1.00 0.00 N ATOM 0 H LYS A 42 -1.869 8.991 -4.117 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.277 8.665 -6.509 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.803 10.932 -4.564 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.786 11.159 -5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.349 9.404 -5.290 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.304 8.935 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.666 11.057 -2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.470 11.745 -4.212 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.313 10.078 -3.982 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.505 9.369 -2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -8.238 10.880 -1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.725 11.472 -1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.508 12.158 -2.769 1.00 0.00 H new ATOM 375 N GLN A 43 -0.725 10.734 -6.884 1.00 0.00 N ATOM 376 CA GLN A 43 0.124 11.334 -7.911 1.00 0.00 C ATOM 377 C GLN A 43 0.737 10.274 -8.828 1.00 0.00 C ATOM 378 O GLN A 43 0.799 10.452 -10.043 1.00 0.00 O ATOM 379 CB GLN A 43 1.117 12.357 -7.354 1.00 0.00 C ATOM 380 CG GLN A 43 2.293 11.785 -6.645 1.00 0.00 C ATOM 381 CD GLN A 43 3.381 12.811 -6.349 1.00 0.00 C ATOM 382 OE1 GLN A 43 3.118 13.951 -5.974 1.00 0.00 O ATOM 383 NE2 GLN A 43 4.637 12.435 -6.466 1.00 0.00 N ATOM 0 H GLN A 43 -0.452 10.972 -5.931 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.521 11.933 -8.554 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.476 12.975 -8.177 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.586 13.017 -6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.961 11.338 -5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.716 10.982 -7.248 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.859 11.489 -6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.388 13.089 -6.246 1.00 0.00 H new ATOM 392 N ASN A 44 1.191 9.178 -8.232 1.00 0.00 N ATOM 393 CA ASN A 44 1.839 8.078 -8.924 1.00 0.00 C ATOM 394 C ASN A 44 0.848 7.401 -9.874 1.00 0.00 C ATOM 395 O ASN A 44 1.156 7.227 -11.053 1.00 0.00 O ATOM 396 CB ASN A 44 2.357 7.015 -7.953 1.00 0.00 C ATOM 397 CG ASN A 44 3.150 7.426 -6.728 1.00 0.00 C ATOM 398 OD1 ASN A 44 3.032 6.744 -5.724 1.00 0.00 O ATOM 399 ND2 ASN A 44 3.934 8.494 -6.723 1.00 0.00 N ATOM 0 H ASN A 44 1.115 9.029 -7.226 1.00 0.00 H new ATOM 0 HA ASN A 44 2.681 8.501 -9.471 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.494 6.447 -7.605 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.980 6.329 -8.527 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.443 8.749 -5.877 1.00 0.00 H new ATOM 0 HD22 ASN A 44 4.029 9.061 -7.566 1.00 0.00 H new ATOM 406 N ILE A 45 -0.327 6.992 -9.373 1.00 0.00 N ATOM 407 CA ILE A 45 -1.366 6.309 -10.145 1.00 0.00 C ATOM 408 C ILE A 45 -1.802 7.188 -11.316 1.00 0.00 C ATOM 409 O ILE A 45 -1.984 6.680 -12.425 1.00 0.00 O ATOM 410 CB ILE A 45 -2.569 5.974 -9.225 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.279 4.836 -8.231 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.857 5.639 -9.996 1.00 0.00 C ATOM 413 CD1 ILE A 45 -2.020 3.468 -8.863 1.00 0.00 C ATOM 0 H ILE A 45 -0.584 7.132 -8.396 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.969 5.376 -10.545 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.727 6.897 -8.667 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.411 5.111 -7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -3.124 4.748 -7.548 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.656 5.415 -9.289 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.145 6.491 -10.611 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.684 4.773 -10.634 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.826 2.736 -8.079 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.894 3.161 -9.438 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.155 3.530 -9.523 1.00 0.00 H new ATOM 425 N ALA A 46 -1.940 8.498 -11.090 1.00 0.00 N ATOM 426 CA ALA A 46 -2.346 9.456 -12.112 1.00 0.00 C ATOM 427 C ALA A 46 -1.318 9.591 -13.242 1.00 0.00 C ATOM 428 O ALA A 46 -1.592 10.239 -14.249 1.00 0.00 O ATOM 429 CB ALA A 46 -2.607 10.811 -11.451 1.00 0.00 C ATOM 0 H ALA A 46 -1.770 8.924 -10.179 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.259 9.084 -12.577 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.911 11.533 -12.209 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -3.399 10.708 -10.710 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.697 11.159 -10.963 1.00 0.00 H new ATOM 435 N ALA A 47 -0.138 8.987 -13.095 1.00 0.00 N ATOM 436 CA ALA A 47 0.915 8.919 -14.090 1.00 0.00 C ATOM 437 C ALA A 47 1.276 7.464 -14.445 1.00 0.00 C ATOM 438 O ALA A 47 2.245 7.229 -15.169 1.00 0.00 O ATOM 439 CB ALA A 47 2.087 9.758 -13.572 1.00 0.00 C ATOM 0 H ALA A 47 0.115 8.509 -12.230 1.00 0.00 H new ATOM 0 HA ALA A 47 0.587 9.338 -15.041 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.902 9.731 -14.296 1.00 0.00 H new ATOM 0 HB2 ALA A 47 1.762 10.789 -13.430 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.433 9.352 -12.621 1.00 0.00 H new ATOM 445 N ASN A 48 0.532 6.481 -13.918 1.00 0.00 N ATOM 446 CA ASN A 48 0.842 5.047 -13.934 1.00 0.00 C ATOM 447 C ASN A 48 2.313 4.775 -13.567 1.00 0.00 C ATOM 448 O ASN A 48 2.958 3.853 -14.081 1.00 0.00 O ATOM 449 CB ASN A 48 0.394 4.412 -15.258 1.00 0.00 C ATOM 450 CG ASN A 48 -0.041 2.962 -15.080 1.00 0.00 C ATOM 451 OD1 ASN A 48 -1.222 2.654 -15.222 1.00 0.00 O ATOM 452 ND2 ASN A 48 0.857 2.048 -14.751 1.00 0.00 N ATOM 0 H ASN A 48 -0.350 6.677 -13.444 1.00 0.00 H new ATOM 0 HA ASN A 48 0.266 4.553 -13.152 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.431 4.989 -15.675 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.212 4.459 -15.977 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.571 1.079 -14.613 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.835 2.313 -14.635 1.00 0.00 H new ATOM 459 N GLN A 49 2.864 5.612 -12.688 1.00 0.00 N ATOM 460 CA GLN A 49 4.209 5.487 -12.157 1.00 0.00 C ATOM 461 C GLN A 49 4.065 4.829 -10.790 1.00 0.00 C ATOM 462 O GLN A 49 4.641 5.321 -9.831 1.00 0.00 O ATOM 463 CB GLN A 49 4.976 6.818 -12.032 1.00 0.00 C ATOM 464 CG GLN A 49 4.953 7.744 -13.243 1.00 0.00 C ATOM 465 CD GLN A 49 5.707 7.186 -14.436 1.00 0.00 C ATOM 466 OE1 GLN A 49 6.912 7.359 -14.542 1.00 0.00 O ATOM 467 NE2 GLN A 49 5.031 6.568 -15.385 1.00 0.00 N ATOM 0 H GLN A 49 2.364 6.421 -12.318 1.00 0.00 H new ATOM 0 HA GLN A 49 4.805 4.898 -12.854 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.571 7.364 -11.180 1.00 0.00 H new ATOM 0 HB3 GLN A 49 6.016 6.590 -11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.918 7.931 -13.530 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.385 8.705 -12.965 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.025 6.429 -15.287 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.514 6.229 -16.217 1.00 0.00 H new ATOM 476 N LEU A 50 3.235 3.796 -10.641 1.00 0.00 N ATOM 477 CA LEU A 50 3.183 3.044 -9.397 1.00 0.00 C ATOM 478 C LEU A 50 3.179 1.555 -9.737 1.00 0.00 C ATOM 479 O LEU A 50 2.536 1.154 -10.708 1.00 0.00 O ATOM 480 CB LEU A 50 1.944 3.488 -8.597 1.00 0.00 C ATOM 481 CG LEU A 50 2.208 3.666 -7.083 1.00 0.00 C ATOM 482 CD1 LEU A 50 0.904 3.889 -6.319 1.00 0.00 C ATOM 483 CD2 LEU A 50 2.943 2.549 -6.359 1.00 0.00 C ATOM 0 H LEU A 50 2.595 3.466 -11.364 1.00 0.00 H new ATOM 0 HA LEU A 50 4.052 3.235 -8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.578 4.430 -9.005 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.152 2.752 -8.734 1.00 0.00 H new ATOM 0 HG LEU A 50 2.872 4.530 -7.080 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.120 4.011 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.411 4.786 -6.694 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.249 3.029 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.057 2.810 -5.307 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.373 1.624 -6.443 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.927 2.411 -6.807 1.00 0.00 H new ATOM 495 N VAL A 51 3.865 0.744 -8.931 1.00 0.00 N ATOM 496 CA VAL A 51 3.934 -0.711 -9.013 1.00 0.00 C ATOM 497 C VAL A 51 3.565 -1.339 -7.680 1.00 0.00 C ATOM 498 O VAL A 51 3.473 -0.665 -6.653 1.00 0.00 O ATOM 499 CB VAL A 51 5.275 -1.179 -9.597 1.00 0.00 C ATOM 500 CG1 VAL A 51 6.483 -1.260 -8.738 1.00 0.00 C ATOM 501 CG2 VAL A 51 5.191 -2.580 -10.240 1.00 0.00 C ATOM 0 H VAL A 51 4.420 1.110 -8.157 1.00 0.00 H new ATOM 0 HA VAL A 51 3.187 -1.069 -9.722 1.00 0.00 H new ATOM 0 HB VAL A 51 5.419 -0.346 -10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.328 -1.610 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.708 -0.274 -8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.301 -1.956 -7.919 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.168 -2.858 -10.636 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.883 -3.307 -9.489 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.462 -2.565 -11.050 1.00 0.00 H new ATOM 511 N TYR A 52 3.312 -2.637 -7.722 1.00 0.00 N ATOM 512 CA TYR A 52 3.016 -3.529 -6.634 1.00 0.00 C ATOM 513 C TYR A 52 3.946 -4.708 -6.887 1.00 0.00 C ATOM 514 O TYR A 52 3.886 -5.308 -7.960 1.00 0.00 O ATOM 515 CB TYR A 52 1.532 -3.918 -6.695 1.00 0.00 C ATOM 516 CG TYR A 52 1.242 -5.199 -5.931 1.00 0.00 C ATOM 517 CD1 TYR A 52 1.074 -5.171 -4.533 1.00 0.00 C ATOM 518 CD2 TYR A 52 1.264 -6.432 -6.609 1.00 0.00 C ATOM 519 CE1 TYR A 52 0.926 -6.372 -3.815 1.00 0.00 C ATOM 520 CE2 TYR A 52 1.146 -7.639 -5.899 1.00 0.00 C ATOM 521 CZ TYR A 52 0.983 -7.612 -4.494 1.00 0.00 C ATOM 522 OH TYR A 52 0.905 -8.772 -3.786 1.00 0.00 O ATOM 0 H TYR A 52 3.311 -3.133 -8.613 1.00 0.00 H new ATOM 0 HA TYR A 52 3.171 -3.109 -5.640 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.929 -3.108 -6.285 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.233 -4.042 -7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.059 -4.226 -4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.372 -6.451 -7.683 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.769 -6.347 -2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.180 -8.583 -6.423 1.00 0.00 H new ATOM 0 HH TYR A 52 0.958 -9.534 -4.400 1.00 0.00 H new ATOM 532 N GLY A 53 4.834 -5.011 -5.946 1.00 0.00 N ATOM 533 CA GLY A 53 5.759 -6.128 -6.031 1.00 0.00 C ATOM 534 C GLY A 53 5.804 -6.878 -4.706 1.00 0.00 C ATOM 535 O GLY A 53 5.072 -6.529 -3.781 1.00 0.00 O ATOM 0 H GLY A 53 4.930 -4.473 -5.085 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.452 -6.804 -6.829 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.755 -5.766 -6.286 1.00 0.00 H new ATOM 539 N ILE A 54 6.629 -7.924 -4.619 1.00 0.00 N ATOM 540 CA ILE A 54 6.925 -8.677 -3.400 1.00 0.00 C ATOM 541 C ILE A 54 8.437 -8.619 -3.178 1.00 0.00 C ATOM 542 O ILE A 54 9.197 -8.679 -4.147 1.00 0.00 O ATOM 543 CB ILE A 54 6.425 -10.135 -3.538 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.889 -10.239 -3.676 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.914 -11.044 -2.395 1.00 0.00 C ATOM 546 CD1 ILE A 54 4.084 -10.180 -2.373 1.00 0.00 C ATOM 0 H ILE A 54 7.130 -8.284 -5.431 1.00 0.00 H new ATOM 0 HA ILE A 54 6.412 -8.246 -2.540 1.00 0.00 H new ATOM 0 HB ILE A 54 6.868 -10.492 -4.468 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.549 -9.432 -4.325 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.654 -11.176 -4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.532 -12.054 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.004 -11.065 -2.388 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.552 -10.657 -1.442 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.021 -10.263 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 54 4.382 -11.003 -1.723 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.276 -9.232 -1.870 1.00 0.00 H new ATOM 558 N VAL A 55 8.850 -8.556 -1.912 1.00 0.00 N ATOM 559 CA VAL A 55 10.207 -8.602 -1.402 1.00 0.00 C ATOM 560 C VAL A 55 11.025 -9.718 -2.053 1.00 0.00 C ATOM 561 O VAL A 55 11.864 -9.392 -2.895 1.00 0.00 O ATOM 562 CB VAL A 55 10.122 -8.669 0.138 1.00 0.00 C ATOM 563 CG1 VAL A 55 11.432 -9.088 0.810 1.00 0.00 C ATOM 564 CG2 VAL A 55 9.713 -7.286 0.654 1.00 0.00 C ATOM 0 H VAL A 55 8.175 -8.463 -1.153 1.00 0.00 H new ATOM 0 HA VAL A 55 10.760 -7.702 -1.669 1.00 0.00 H new ATOM 0 HB VAL A 55 9.389 -9.435 0.390 1.00 0.00 H new ATOM 0 HG11 VAL A 55 11.295 -9.113 1.891 1.00 0.00 H new ATOM 0 HG12 VAL A 55 11.721 -10.078 0.458 1.00 0.00 H new ATOM 0 HG13 VAL A 55 12.215 -8.372 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 55 9.646 -7.309 1.742 1.00 0.00 H new ATOM 0 HG22 VAL A 55 10.458 -6.550 0.351 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.744 -7.014 0.237 1.00 0.00 H new ATOM 574 N LYS A 56 10.813 -10.995 -1.688 1.00 0.00 N ATOM 575 CA LYS A 56 11.709 -12.109 -2.030 1.00 0.00 C ATOM 576 C LYS A 56 13.149 -11.853 -1.515 1.00 0.00 C ATOM 577 O LYS A 56 13.446 -10.782 -0.978 1.00 0.00 O ATOM 578 CB LYS A 56 11.554 -12.426 -3.538 1.00 0.00 C ATOM 579 CG LYS A 56 10.168 -13.014 -3.853 1.00 0.00 C ATOM 580 CD LYS A 56 10.112 -14.543 -3.747 1.00 0.00 C ATOM 581 CE LYS A 56 8.663 -15.041 -3.823 1.00 0.00 C ATOM 582 NZ LYS A 56 8.054 -14.884 -5.163 1.00 0.00 N ATOM 0 H LYS A 56 10.003 -11.284 -1.140 1.00 0.00 H new ATOM 0 HA LYS A 56 11.430 -13.025 -1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.705 -11.516 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 56 12.327 -13.131 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.436 -12.584 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.877 -12.717 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.697 -14.990 -4.551 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.563 -14.864 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.634 -16.093 -3.540 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.062 -14.498 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.077 -15.240 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.051 -13.878 -5.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.605 -15.424 -5.860 1.00 0.00 H new ATOM 596 N PRO A 57 14.045 -12.859 -1.488 1.00 0.00 N ATOM 597 CA PRO A 57 15.411 -12.678 -0.987 1.00 0.00 C ATOM 598 C PRO A 57 16.327 -12.002 -2.021 1.00 0.00 C ATOM 599 O PRO A 57 17.512 -11.795 -1.765 1.00 0.00 O ATOM 600 CB PRO A 57 15.882 -14.085 -0.627 1.00 0.00 C ATOM 601 CG PRO A 57 15.174 -14.963 -1.646 1.00 0.00 C ATOM 602 CD PRO A 57 13.851 -14.243 -1.903 1.00 0.00 C ATOM 0 HA PRO A 57 15.441 -12.009 -0.127 1.00 0.00 H new ATOM 0 HB2 PRO A 57 16.966 -14.177 -0.700 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.608 -14.352 0.394 1.00 0.00 H new ATOM 0 HG2 PRO A 57 15.758 -15.062 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 57 15.012 -15.970 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 57 13.578 -14.297 -2.957 1.00 0.00 H new ATOM 0 HD3 PRO A 57 13.041 -14.707 -1.340 1.00 0.00 H new ATOM 610 N SER A 58 15.797 -11.760 -3.219 1.00 0.00 N ATOM 611 CA SER A 58 16.455 -11.308 -4.422 1.00 0.00 C ATOM 612 C SER A 58 17.164 -9.971 -4.213 1.00 0.00 C ATOM 613 O SER A 58 18.391 -9.912 -4.068 1.00 0.00 O ATOM 614 CB SER A 58 15.376 -11.243 -5.524 1.00 0.00 C ATOM 615 OG SER A 58 14.136 -10.773 -5.022 1.00 0.00 O ATOM 0 H SER A 58 14.798 -11.892 -3.376 1.00 0.00 H new ATOM 0 HA SER A 58 17.245 -11.999 -4.715 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.715 -10.587 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.240 -12.234 -5.958 1.00 0.00 H new ATOM 0 HG SER A 58 13.479 -10.744 -5.748 1.00 0.00 H new ATOM 621 N ASP A 59 16.387 -8.891 -4.234 1.00 0.00 N ATOM 622 CA ASP A 59 16.893 -7.544 -4.055 1.00 0.00 C ATOM 623 C ASP A 59 17.091 -7.286 -2.563 1.00 0.00 C ATOM 624 O ASP A 59 16.446 -7.907 -1.718 1.00 0.00 O ATOM 625 CB ASP A 59 15.978 -6.520 -4.737 1.00 0.00 C ATOM 626 CG ASP A 59 16.449 -6.274 -6.173 1.00 0.00 C ATOM 627 OD1 ASP A 59 17.407 -5.491 -6.383 1.00 0.00 O ATOM 628 OD2 ASP A 59 15.895 -6.905 -7.106 1.00 0.00 O ATOM 0 H ASP A 59 15.378 -8.933 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 59 17.863 -7.434 -4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 59 14.950 -6.883 -4.739 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.984 -5.584 -4.178 1.00 0.00 H new ATOM 633 N THR A 60 18.014 -6.385 -2.241 1.00 0.00 N ATOM 634 CA THR A 60 18.511 -6.142 -0.895 1.00 0.00 C ATOM 635 C THR A 60 17.403 -5.498 -0.063 1.00 0.00 C ATOM 636 O THR A 60 16.911 -4.419 -0.408 1.00 0.00 O ATOM 637 CB THR A 60 19.759 -5.231 -0.936 1.00 0.00 C ATOM 638 OG1 THR A 60 20.461 -5.291 -2.168 1.00 0.00 O ATOM 639 CG2 THR A 60 20.729 -5.569 0.197 1.00 0.00 C ATOM 0 H THR A 60 18.451 -5.783 -2.938 1.00 0.00 H new ATOM 0 HA THR A 60 18.802 -7.088 -0.439 1.00 0.00 H new ATOM 0 HB THR A 60 19.377 -4.217 -0.816 1.00 0.00 H new ATOM 0 HG1 THR A 60 21.237 -4.693 -2.132 1.00 0.00 H new ATOM 0 HG21 THR A 60 21.597 -4.911 0.142 1.00 0.00 H new ATOM 0 HG22 THR A 60 20.230 -5.431 1.156 1.00 0.00 H new ATOM 0 HG23 THR A 60 21.053 -6.605 0.102 1.00 0.00 H new ATOM 647 N VAL A 61 17.017 -6.142 1.034 1.00 0.00 N ATOM 648 CA VAL A 61 15.905 -5.722 1.875 1.00 0.00 C ATOM 649 C VAL A 61 16.299 -5.802 3.354 1.00 0.00 C ATOM 650 O VAL A 61 17.261 -6.504 3.701 1.00 0.00 O ATOM 651 CB VAL A 61 14.658 -6.572 1.543 1.00 0.00 C ATOM 652 CG1 VAL A 61 14.035 -6.127 0.208 1.00 0.00 C ATOM 653 CG2 VAL A 61 14.969 -8.079 1.528 1.00 0.00 C ATOM 0 H VAL A 61 17.479 -6.988 1.369 1.00 0.00 H new ATOM 0 HA VAL A 61 15.655 -4.680 1.673 1.00 0.00 H new ATOM 0 HB VAL A 61 13.932 -6.404 2.339 1.00 0.00 H new ATOM 0 HG11 VAL A 61 13.159 -6.739 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 61 13.739 -5.080 0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 61 14.765 -6.247 -0.592 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.062 -8.635 1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 61 15.730 -8.286 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.336 -8.385 2.508 1.00 0.00 H new ATOM 663 N PRO A 62 15.574 -5.105 4.246 1.00 0.00 N ATOM 664 CA PRO A 62 15.741 -5.268 5.681 1.00 0.00 C ATOM 665 C PRO A 62 15.252 -6.649 6.127 1.00 0.00 C ATOM 666 O PRO A 62 14.638 -7.397 5.358 1.00 0.00 O ATOM 667 CB PRO A 62 14.945 -4.127 6.319 1.00 0.00 C ATOM 668 CG PRO A 62 13.881 -3.783 5.285 1.00 0.00 C ATOM 669 CD PRO A 62 14.526 -4.135 3.950 1.00 0.00 C ATOM 0 HA PRO A 62 16.786 -5.220 5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 62 14.496 -4.435 7.263 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.582 -3.269 6.534 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.968 -4.355 5.449 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.609 -2.728 5.330 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.792 -4.553 3.262 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.941 -3.247 3.472 1.00 0.00 H new ATOM 677 N ALA A 63 15.515 -6.987 7.387 1.00 0.00 N ATOM 678 CA ALA A 63 14.960 -8.173 8.016 1.00 0.00 C ATOM 679 C ALA A 63 13.504 -7.935 8.411 1.00 0.00 C ATOM 680 O ALA A 63 13.135 -6.822 8.796 1.00 0.00 O ATOM 681 CB ALA A 63 15.770 -8.462 9.274 1.00 0.00 C ATOM 0 H ALA A 63 16.122 -6.441 7.999 1.00 0.00 H new ATOM 0 HA ALA A 63 15.003 -9.010 7.319 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.373 -9.350 9.766 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.812 -8.632 9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.705 -7.611 9.952 1.00 0.00 H new ATOM 687 N GLY A 64 12.701 -8.995 8.442 1.00 0.00 N ATOM 688 CA GLY A 64 11.324 -8.976 8.910 1.00 0.00 C ATOM 689 C GLY A 64 10.402 -8.342 7.877 1.00 0.00 C ATOM 690 O GLY A 64 9.654 -7.426 8.226 1.00 0.00 O ATOM 0 H GLY A 64 13.003 -9.918 8.132 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.994 -9.993 9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.263 -8.421 9.846 1.00 0.00 H new ATOM 694 N VAL A 65 10.520 -8.760 6.614 1.00 0.00 N ATOM 695 CA VAL A 65 9.610 -8.430 5.513 1.00 0.00 C ATOM 696 C VAL A 65 9.605 -9.567 4.468 1.00 0.00 C ATOM 697 O VAL A 65 9.388 -9.306 3.294 1.00 0.00 O ATOM 698 CB VAL A 65 9.940 -7.057 4.854 1.00 0.00 C ATOM 699 CG1 VAL A 65 9.481 -5.839 5.665 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.423 -6.881 4.488 1.00 0.00 C ATOM 0 H VAL A 65 11.286 -9.364 6.317 1.00 0.00 H new ATOM 0 HA VAL A 65 8.609 -8.333 5.934 1.00 0.00 H new ATOM 0 HB VAL A 65 9.356 -7.093 3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.750 -4.926 5.134 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.400 -5.876 5.797 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.966 -5.848 6.641 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.572 -5.901 4.035 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.032 -6.961 5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.718 -7.657 3.781 1.00 0.00 H new ATOM 710 N ASP A 66 9.904 -10.820 4.841 1.00 0.00 N ATOM 711 CA ASP A 66 10.505 -11.816 3.930 1.00 0.00 C ATOM 712 C ASP A 66 9.684 -12.201 2.701 1.00 0.00 C ATOM 713 O ASP A 66 10.199 -12.621 1.668 1.00 0.00 O ATOM 714 CB ASP A 66 10.748 -13.088 4.761 1.00 0.00 C ATOM 715 CG ASP A 66 11.713 -14.065 4.100 1.00 0.00 C ATOM 716 OD1 ASP A 66 11.301 -14.846 3.218 1.00 0.00 O ATOM 717 OD2 ASP A 66 12.902 -14.089 4.501 1.00 0.00 O ATOM 0 H ASP A 66 9.737 -11.175 5.782 1.00 0.00 H new ATOM 0 HA ASP A 66 11.406 -11.353 3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.140 -12.806 5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.795 -13.589 4.932 1.00 0.00 H new ATOM 722 N ASP A 67 8.412 -11.875 2.774 1.00 0.00 N ATOM 723 CA ASP A 67 7.345 -12.232 1.863 1.00 0.00 C ATOM 724 C ASP A 67 6.325 -11.101 1.726 1.00 0.00 C ATOM 725 O ASP A 67 5.229 -11.316 1.198 1.00 0.00 O ATOM 726 CB ASP A 67 6.687 -13.544 2.357 1.00 0.00 C ATOM 727 CG ASP A 67 6.041 -13.467 3.749 1.00 0.00 C ATOM 728 OD1 ASP A 67 6.156 -12.441 4.456 1.00 0.00 O ATOM 729 OD2 ASP A 67 5.426 -14.476 4.191 1.00 0.00 O ATOM 0 H ASP A 67 8.066 -11.301 3.543 1.00 0.00 H new ATOM 0 HA ASP A 67 7.757 -12.393 0.867 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.926 -13.844 1.637 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.443 -14.329 2.368 1.00 0.00 H new ATOM 734 N TYR A 68 6.694 -9.901 2.189 1.00 0.00 N ATOM 735 CA TYR A 68 5.870 -8.705 2.165 1.00 0.00 C ATOM 736 C TYR A 68 5.726 -8.211 0.733 1.00 0.00 C ATOM 737 O TYR A 68 6.642 -8.334 -0.086 1.00 0.00 O ATOM 738 CB TYR A 68 6.479 -7.611 3.060 1.00 0.00 C ATOM 739 CG TYR A 68 6.154 -7.736 4.543 1.00 0.00 C ATOM 740 CD1 TYR A 68 6.118 -8.998 5.176 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.726 -6.594 5.255 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.573 -9.138 6.461 1.00 0.00 C ATOM 743 CE2 TYR A 68 5.187 -6.724 6.546 1.00 0.00 C ATOM 744 CZ TYR A 68 5.064 -8.006 7.132 1.00 0.00 C ATOM 745 OH TYR A 68 4.467 -8.142 8.346 1.00 0.00 O ATOM 0 H TYR A 68 7.611 -9.739 2.605 1.00 0.00 H new ATOM 0 HA TYR A 68 4.881 -8.946 2.556 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.562 -7.625 2.939 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.131 -6.640 2.708 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.514 -9.864 4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 68 5.813 -5.616 4.805 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.543 -10.108 6.935 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.867 -5.847 7.090 1.00 0.00 H new ATOM 0 HH TYR A 68 4.603 -7.326 8.871 1.00 0.00 H new ATOM 755 N SER A 69 4.592 -7.587 0.449 1.00 0.00 N ATOM 756 CA SER A 69 4.420 -6.763 -0.725 1.00 0.00 C ATOM 757 C SER A 69 5.178 -5.443 -0.551 1.00 0.00 C ATOM 758 O SER A 69 5.524 -5.051 0.568 1.00 0.00 O ATOM 759 CB SER A 69 2.925 -6.534 -0.961 1.00 0.00 C ATOM 760 OG SER A 69 2.154 -7.730 -0.880 1.00 0.00 O ATOM 0 H SER A 69 3.761 -7.643 1.037 1.00 0.00 H new ATOM 0 HA SER A 69 4.832 -7.263 -1.601 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.553 -5.819 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.784 -6.084 -1.944 1.00 0.00 H new ATOM 0 HG SER A 69 1.594 -7.813 -1.680 1.00 0.00 H new ATOM 766 N TYR A 70 5.389 -4.719 -1.648 1.00 0.00 N ATOM 767 CA TYR A 70 5.832 -3.332 -1.641 1.00 0.00 C ATOM 768 C TYR A 70 5.137 -2.559 -2.754 1.00 0.00 C ATOM 769 O TYR A 70 4.712 -3.162 -3.741 1.00 0.00 O ATOM 770 CB TYR A 70 7.362 -3.227 -1.783 1.00 0.00 C ATOM 771 CG TYR A 70 7.954 -3.728 -3.099 1.00 0.00 C ATOM 772 CD1 TYR A 70 7.844 -2.947 -4.274 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.648 -4.958 -3.132 1.00 0.00 C ATOM 774 CE1 TYR A 70 8.394 -3.401 -5.489 1.00 0.00 C ATOM 775 CE2 TYR A 70 9.250 -5.386 -4.334 1.00 0.00 C ATOM 776 CZ TYR A 70 9.119 -4.614 -5.516 1.00 0.00 C ATOM 777 OH TYR A 70 9.712 -5.011 -6.675 1.00 0.00 O ATOM 0 H TYR A 70 5.253 -5.092 -2.587 1.00 0.00 H new ATOM 0 HA TYR A 70 5.562 -2.895 -0.680 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.647 -2.183 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.821 -3.785 -0.967 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.334 -1.995 -4.239 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.717 -5.567 -2.243 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.263 -2.826 -6.394 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.814 -6.307 -4.354 1.00 0.00 H new ATOM 0 HH TYR A 70 10.173 -5.864 -6.531 1.00 0.00 H new ATOM 787 N LEU A 71 5.076 -1.233 -2.622 1.00 0.00 N ATOM 788 CA LEU A 71 4.638 -0.303 -3.644 1.00 0.00 C ATOM 789 C LEU A 71 5.794 0.643 -3.945 1.00 0.00 C ATOM 790 O LEU A 71 6.423 1.113 -2.991 1.00 0.00 O ATOM 791 CB LEU A 71 3.435 0.521 -3.152 1.00 0.00 C ATOM 792 CG LEU A 71 2.195 -0.211 -2.610 1.00 0.00 C ATOM 793 CD1 LEU A 71 1.922 -1.562 -3.273 1.00 0.00 C ATOM 794 CD2 LEU A 71 2.181 -0.352 -1.085 1.00 0.00 C ATOM 0 H LEU A 71 5.345 -0.765 -1.757 1.00 0.00 H new ATOM 0 HA LEU A 71 4.338 -0.857 -4.534 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.793 1.187 -2.366 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.108 1.151 -3.979 1.00 0.00 H new ATOM 0 HG LEU A 71 1.375 0.451 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.031 -2.010 -2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.765 -1.418 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.775 -2.223 -3.118 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.277 -0.878 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.057 -0.916 -0.764 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.199 0.637 -0.628 1.00 0.00 H new ATOM 806 N VAL A 72 6.082 0.947 -5.217 1.00 0.00 N ATOM 807 CA VAL A 72 7.162 1.888 -5.564 1.00 0.00 C ATOM 808 C VAL A 72 6.845 2.560 -6.907 1.00 0.00 C ATOM 809 O VAL A 72 6.103 1.973 -7.696 1.00 0.00 O ATOM 810 CB VAL A 72 8.524 1.143 -5.550 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.590 -0.127 -6.405 1.00 0.00 C ATOM 812 CG2 VAL A 72 9.674 2.027 -6.024 1.00 0.00 C ATOM 0 H VAL A 72 5.587 0.559 -6.020 1.00 0.00 H new ATOM 0 HA VAL A 72 7.235 2.686 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 72 8.620 0.867 -4.500 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.583 -0.569 -6.324 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.846 -0.841 -6.053 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.388 0.124 -7.446 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.604 1.460 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.482 2.358 -7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 72 9.758 2.895 -5.371 1.00 0.00 H new ATOM 822 N ALA A 73 7.372 3.760 -7.201 1.00 0.00 N ATOM 823 CA ALA A 73 7.161 4.384 -8.494 1.00 0.00 C ATOM 824 C ALA A 73 8.276 3.957 -9.445 1.00 0.00 C ATOM 825 O ALA A 73 9.451 4.152 -9.146 1.00 0.00 O ATOM 826 CB ALA A 73 7.054 5.900 -8.311 1.00 0.00 C ATOM 0 H ALA A 73 7.943 4.306 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 73 6.224 4.058 -8.945 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.895 6.373 -9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.215 6.129 -7.654 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.975 6.279 -7.869 1.00 0.00 H new ATOM 832 N ALA A 74 7.922 3.337 -10.577 1.00 0.00 N ATOM 833 CA ALA A 74 8.878 2.616 -11.435 1.00 0.00 C ATOM 834 C ALA A 74 9.934 3.489 -12.122 1.00 0.00 C ATOM 835 O ALA A 74 10.862 2.957 -12.731 1.00 0.00 O ATOM 836 CB ALA A 74 8.138 1.859 -12.528 1.00 0.00 C ATOM 0 H ALA A 74 6.964 3.319 -10.927 1.00 0.00 H new ATOM 0 HA ALA A 74 9.404 1.954 -10.747 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.856 1.331 -13.155 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.455 1.141 -12.075 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.572 2.563 -13.139 1.00 0.00 H new ATOM 842 N ASP A 75 9.778 4.807 -12.060 1.00 0.00 N ATOM 843 CA ASP A 75 10.665 5.784 -12.691 1.00 0.00 C ATOM 844 C ASP A 75 11.332 6.669 -11.644 1.00 0.00 C ATOM 845 O ASP A 75 12.131 7.549 -11.960 1.00 0.00 O ATOM 846 CB ASP A 75 9.826 6.592 -13.689 1.00 0.00 C ATOM 847 CG ASP A 75 10.649 7.375 -14.703 1.00 0.00 C ATOM 848 OD1 ASP A 75 11.439 6.738 -15.438 1.00 0.00 O ATOM 849 OD2 ASP A 75 10.389 8.587 -14.909 1.00 0.00 O ATOM 0 H ASP A 75 9.006 5.241 -11.553 1.00 0.00 H new ATOM 0 HA ASP A 75 11.477 5.286 -13.221 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.162 5.912 -14.223 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.193 7.287 -13.137 1.00 0.00 H new ATOM 854 N ASP A 76 11.053 6.374 -10.378 1.00 0.00 N ATOM 855 CA ASP A 76 11.513 7.030 -9.167 1.00 0.00 C ATOM 856 C ASP A 76 11.916 5.924 -8.187 1.00 0.00 C ATOM 857 O ASP A 76 11.566 5.942 -7.005 1.00 0.00 O ATOM 858 CB ASP A 76 10.356 7.864 -8.614 1.00 0.00 C ATOM 859 CG ASP A 76 10.742 8.636 -7.356 1.00 0.00 C ATOM 860 OD1 ASP A 76 11.865 9.181 -7.315 1.00 0.00 O ATOM 861 OD2 ASP A 76 9.904 8.635 -6.427 1.00 0.00 O ATOM 0 H ASP A 76 10.438 5.591 -10.157 1.00 0.00 H new ATOM 0 HA ASP A 76 12.363 7.690 -9.343 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.020 8.565 -9.378 1.00 0.00 H new ATOM 0 HB3 ASP A 76 9.514 7.209 -8.390 1.00 0.00 H new ATOM 866 N GLN A 77 12.534 4.852 -8.700 1.00 0.00 N ATOM 867 CA GLN A 77 12.635 3.621 -7.916 1.00 0.00 C ATOM 868 C GLN A 77 13.484 3.777 -6.652 1.00 0.00 C ATOM 869 O GLN A 77 13.452 2.869 -5.828 1.00 0.00 O ATOM 870 CB GLN A 77 13.139 2.428 -8.746 1.00 0.00 C ATOM 871 CG GLN A 77 12.242 2.174 -9.964 1.00 0.00 C ATOM 872 CD GLN A 77 12.430 0.799 -10.612 1.00 0.00 C ATOM 873 OE1 GLN A 77 12.658 0.675 -11.813 1.00 0.00 O ATOM 874 NE2 GLN A 77 12.254 -0.287 -9.881 1.00 0.00 N ATOM 0 H GLN A 77 12.959 4.813 -9.626 1.00 0.00 H new ATOM 0 HA GLN A 77 11.613 3.410 -7.602 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.160 2.619 -9.078 1.00 0.00 H new ATOM 0 HB3 GLN A 77 13.168 1.535 -8.122 1.00 0.00 H new ATOM 0 HG2 GLN A 77 11.200 2.280 -9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 77 12.437 2.944 -10.711 1.00 0.00 H new ATOM 0 HE21 GLN A 77 12.064 -0.204 -8.882 1.00 0.00 H new ATOM 0 HE22 GLN A 77 12.308 -1.208 -10.315 1.00 0.00 H new ATOM 883 N ASP A 78 14.246 4.862 -6.498 1.00 0.00 N ATOM 884 CA ASP A 78 15.091 5.215 -5.353 1.00 0.00 C ATOM 885 C ASP A 78 14.505 6.375 -4.529 1.00 0.00 C ATOM 886 O ASP A 78 15.141 6.819 -3.569 1.00 0.00 O ATOM 887 CB ASP A 78 16.506 5.566 -5.839 1.00 0.00 C ATOM 888 CG ASP A 78 16.542 6.901 -6.585 1.00 0.00 C ATOM 889 OD1 ASP A 78 15.946 6.965 -7.684 1.00 0.00 O ATOM 890 OD2 ASP A 78 17.143 7.874 -6.081 1.00 0.00 O ATOM 0 H ASP A 78 14.292 5.573 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 78 15.134 4.347 -4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 78 17.182 5.610 -4.985 1.00 0.00 H new ATOM 0 HB3 ASP A 78 16.871 4.775 -6.494 1.00 0.00 H new ATOM 895 N GLY A 79 13.311 6.869 -4.867 1.00 0.00 N ATOM 896 CA GLY A 79 12.634 7.938 -4.148 1.00 0.00 C ATOM 897 C GLY A 79 11.924 7.381 -2.923 1.00 0.00 C ATOM 898 O GLY A 79 12.437 7.479 -1.807 1.00 0.00 O ATOM 0 H GLY A 79 12.781 6.525 -5.667 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.356 8.696 -3.845 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.914 8.427 -4.803 1.00 0.00 H new ATOM 902 N THR A 80 10.763 6.760 -3.112 1.00 0.00 N ATOM 903 CA THR A 80 9.901 6.281 -2.041 1.00 0.00 C ATOM 904 C THR A 80 9.681 4.772 -2.187 1.00 0.00 C ATOM 905 O THR A 80 9.773 4.213 -3.277 1.00 0.00 O ATOM 906 CB THR A 80 8.575 7.067 -2.096 1.00 0.00 C ATOM 907 OG1 THR A 80 8.799 8.468 -2.165 1.00 0.00 O ATOM 908 CG2 THR A 80 7.705 6.856 -0.852 1.00 0.00 C ATOM 0 H THR A 80 10.387 6.572 -4.041 1.00 0.00 H new ATOM 0 HA THR A 80 10.363 6.445 -1.068 1.00 0.00 H new ATOM 0 HB THR A 80 8.073 6.689 -2.987 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.938 8.936 -2.200 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.786 7.434 -0.948 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.460 5.798 -0.754 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.250 7.185 0.033 1.00 0.00 H new ATOM 916 N ILE A 81 9.339 4.091 -1.093 1.00 0.00 N ATOM 917 CA ILE A 81 8.775 2.752 -1.135 1.00 0.00 C ATOM 918 C ILE A 81 7.906 2.572 0.106 1.00 0.00 C ATOM 919 O ILE A 81 8.197 3.151 1.162 1.00 0.00 O ATOM 920 CB ILE A 81 9.912 1.697 -1.222 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.367 0.252 -1.226 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.957 1.832 -0.098 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.352 -0.747 -1.840 1.00 0.00 C ATOM 0 H ILE A 81 9.448 4.460 -0.149 1.00 0.00 H new ATOM 0 HA ILE A 81 8.155 2.612 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 81 10.405 1.902 -2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 81 9.139 -0.049 -0.204 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.431 0.222 -1.783 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.722 1.065 -0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.420 2.818 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 81 10.469 1.709 0.869 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.918 -1.747 -1.817 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.560 -0.465 -2.872 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.280 -0.741 -1.268 1.00 0.00 H new ATOM 935 N ILE A 82 6.892 1.711 0.035 1.00 0.00 N ATOM 936 CA ILE A 82 6.071 1.310 1.174 1.00 0.00 C ATOM 937 C ILE A 82 5.945 -0.209 1.116 1.00 0.00 C ATOM 938 O ILE A 82 5.415 -0.730 0.141 1.00 0.00 O ATOM 939 CB ILE A 82 4.704 2.041 1.146 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.889 3.569 1.311 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.750 1.494 2.233 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.651 4.372 0.916 1.00 0.00 C ATOM 0 H ILE A 82 6.613 1.263 -0.838 1.00 0.00 H new ATOM 0 HA ILE A 82 6.527 1.593 2.123 1.00 0.00 H new ATOM 0 HB ILE A 82 4.252 1.851 0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 82 5.140 3.788 2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.734 3.894 0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.801 2.028 2.186 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.577 0.431 2.064 1.00 0.00 H new ATOM 0 HG23 ILE A 82 4.198 1.637 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.847 5.435 1.055 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.412 4.181 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.809 4.074 1.541 1.00 0.00 H new ATOM 954 N PHE A 83 6.437 -0.931 2.124 1.00 0.00 N ATOM 955 CA PHE A 83 6.194 -2.369 2.275 1.00 0.00 C ATOM 956 C PHE A 83 4.850 -2.574 2.981 1.00 0.00 C ATOM 957 O PHE A 83 4.442 -1.730 3.785 1.00 0.00 O ATOM 958 CB PHE A 83 7.338 -3.031 3.070 1.00 0.00 C ATOM 959 CG PHE A 83 8.695 -2.919 2.402 1.00 0.00 C ATOM 960 CD1 PHE A 83 9.096 -3.847 1.425 1.00 0.00 C ATOM 961 CD2 PHE A 83 9.552 -1.857 2.738 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.331 -3.691 0.768 1.00 0.00 C ATOM 963 CE2 PHE A 83 10.794 -1.713 2.098 1.00 0.00 C ATOM 964 CZ PHE A 83 11.184 -2.631 1.112 1.00 0.00 C ATOM 0 H PHE A 83 7.018 -0.534 2.863 1.00 0.00 H new ATOM 0 HA PHE A 83 6.160 -2.839 1.292 1.00 0.00 H new ATOM 0 HB2 PHE A 83 7.392 -2.575 4.059 1.00 0.00 H new ATOM 0 HB3 PHE A 83 7.102 -4.085 3.218 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.455 -4.681 1.178 1.00 0.00 H new ATOM 0 HD2 PHE A 83 9.253 -1.146 3.494 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.623 -4.389 -0.003 1.00 0.00 H new ATOM 0 HE2 PHE A 83 11.448 -0.896 2.365 1.00 0.00 H new ATOM 0 HZ PHE A 83 12.139 -2.522 0.619 1.00 0.00 H new ATOM 974 N PHE A 84 4.174 -3.707 2.773 1.00 0.00 N ATOM 975 CA PHE A 84 3.056 -4.136 3.614 1.00 0.00 C ATOM 976 C PHE A 84 2.894 -5.651 3.545 1.00 0.00 C ATOM 977 O PHE A 84 3.353 -6.268 2.586 1.00 0.00 O ATOM 978 CB PHE A 84 1.739 -3.446 3.199 1.00 0.00 C ATOM 979 CG PHE A 84 1.058 -3.999 1.956 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.386 -3.495 0.684 1.00 0.00 C ATOM 981 CD2 PHE A 84 0.094 -5.020 2.066 1.00 0.00 C ATOM 982 CE1 PHE A 84 0.758 -4.013 -0.463 1.00 0.00 C ATOM 983 CE2 PHE A 84 -0.524 -5.547 0.921 1.00 0.00 C ATOM 984 CZ PHE A 84 -0.188 -5.047 -0.345 1.00 0.00 C ATOM 0 H PHE A 84 4.388 -4.354 2.014 1.00 0.00 H new ATOM 0 HA PHE A 84 3.281 -3.844 4.640 1.00 0.00 H new ATOM 0 HB2 PHE A 84 1.039 -3.512 4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.942 -2.387 3.037 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.121 -2.709 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.172 -5.401 3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.003 -3.616 -1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.256 -6.335 1.015 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.655 -5.456 -1.229 1.00 0.00 H new ATOM 994 N LYS A 85 2.171 -6.247 4.495 1.00 0.00 N ATOM 995 CA LYS A 85 1.632 -7.591 4.335 1.00 0.00 C ATOM 996 C LYS A 85 0.285 -7.720 5.012 1.00 0.00 C ATOM 997 O LYS A 85 0.147 -7.355 6.180 1.00 0.00 O ATOM 998 CB LYS A 85 2.598 -8.641 4.839 1.00 0.00 C ATOM 999 CG LYS A 85 2.377 -9.894 3.980 1.00 0.00 C ATOM 1000 CD LYS A 85 2.985 -11.077 4.689 1.00 0.00 C ATOM 1001 CE LYS A 85 2.516 -12.363 4.019 1.00 0.00 C ATOM 1002 NZ LYS A 85 2.869 -13.548 4.812 1.00 0.00 N ATOM 0 H LYS A 85 1.946 -5.812 5.390 1.00 0.00 H new ATOM 0 HA LYS A 85 1.490 -7.763 3.268 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.627 -8.292 4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.419 -8.858 5.892 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.312 -10.057 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.834 -9.765 2.999 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.073 -11.014 4.659 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.695 -11.074 5.740 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.436 -12.327 3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.964 -12.441 3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.353 -14.375 4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.892 -13.721 4.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.613 -13.389 5.807 1.00 0.00 H new ATOM 1016 N ALA A 86 -0.700 -8.228 4.276 1.00 0.00 N ATOM 1017 CA ALA A 86 -1.941 -8.730 4.830 1.00 0.00 C ATOM 1018 C ALA A 86 -1.687 -10.041 5.566 1.00 0.00 C ATOM 1019 O ALA A 86 -1.300 -11.036 4.949 1.00 0.00 O ATOM 1020 CB ALA A 86 -2.946 -8.913 3.698 1.00 0.00 C ATOM 0 H ALA A 86 -0.651 -8.301 3.260 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.349 -8.020 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -3.885 -9.291 4.103 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.121 -7.955 3.209 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.551 -9.624 2.972 1.00 0.00 H new ATOM 1026 N GLU A 87 -1.967 -10.039 6.864 1.00 0.00 N ATOM 1027 CA GLU A 87 -1.813 -11.132 7.809 1.00 0.00 C ATOM 1028 C GLU A 87 -3.144 -11.223 8.579 1.00 0.00 C ATOM 1029 O GLU A 87 -3.263 -10.767 9.722 1.00 0.00 O ATOM 1030 CB GLU A 87 -0.601 -10.840 8.717 1.00 0.00 C ATOM 1031 CG GLU A 87 0.775 -11.164 8.100 1.00 0.00 C ATOM 1032 CD GLU A 87 1.220 -12.630 8.257 1.00 0.00 C ATOM 1033 OE1 GLU A 87 0.797 -13.287 9.240 1.00 0.00 O ATOM 1034 OE2 GLU A 87 2.028 -13.121 7.437 1.00 0.00 O ATOM 0 H GLU A 87 -2.338 -9.203 7.317 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.613 -12.092 7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -0.619 -9.785 8.992 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.712 -11.411 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.749 -10.918 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.525 -10.520 8.559 1.00 0.00 H new ATOM 1041 N GLY A 88 -4.171 -11.781 7.927 1.00 0.00 N ATOM 1042 CA GLY A 88 -5.476 -12.067 8.520 1.00 0.00 C ATOM 1043 C GLY A 88 -6.436 -10.891 8.390 1.00 0.00 C ATOM 1044 O GLY A 88 -6.625 -10.386 7.284 1.00 0.00 O ATOM 0 H GLY A 88 -4.112 -12.052 6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -5.909 -12.943 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.348 -12.315 9.574 1.00 0.00 H new ATOM 1048 N GLN A 89 -7.081 -10.457 9.474 1.00 0.00 N ATOM 1049 CA GLN A 89 -7.872 -9.221 9.532 1.00 0.00 C ATOM 1050 C GLN A 89 -7.021 -8.010 9.916 1.00 0.00 C ATOM 1051 O GLN A 89 -7.576 -7.009 10.359 1.00 0.00 O ATOM 1052 CB GLN A 89 -9.100 -9.395 10.448 1.00 0.00 C ATOM 1053 CG GLN A 89 -10.056 -10.493 9.960 1.00 0.00 C ATOM 1054 CD GLN A 89 -10.354 -10.396 8.467 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -10.779 -9.369 7.949 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -10.085 -11.455 7.724 1.00 0.00 N ATOM 0 H GLN A 89 -7.069 -10.965 10.358 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.244 -9.018 8.528 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.764 -9.634 11.457 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -9.640 -8.450 10.508 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.622 -11.469 10.177 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.991 -10.429 10.517 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -9.732 -12.307 8.159 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -10.231 -11.420 6.715 1.00 0.00 H new ATOM 1065 N THR A 90 -5.707 -8.062 9.713 1.00 0.00 N ATOM 1066 CA THR A 90 -4.765 -6.980 9.943 1.00 0.00 C ATOM 1067 C THR A 90 -3.790 -6.942 8.767 1.00 0.00 C ATOM 1068 O THR A 90 -3.467 -7.980 8.186 1.00 0.00 O ATOM 1069 CB THR A 90 -4.071 -7.190 11.304 1.00 0.00 C ATOM 1070 OG1 THR A 90 -5.034 -7.203 12.343 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.048 -6.106 11.637 1.00 0.00 C ATOM 0 H THR A 90 -5.251 -8.906 9.366 1.00 0.00 H new ATOM 0 HA THR A 90 -5.263 -6.012 9.994 1.00 0.00 H new ATOM 0 HB THR A 90 -3.547 -8.143 11.226 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.585 -7.338 13.203 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.598 -6.316 12.607 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.271 -6.092 10.873 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.543 -5.136 11.669 1.00 0.00 H new ATOM 1079 N VAL A 91 -3.309 -5.747 8.431 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.195 -5.530 7.522 1.00 0.00 C ATOM 1081 C VAL A 91 -1.135 -4.824 8.352 1.00 0.00 C ATOM 1082 O VAL A 91 -1.435 -3.823 9.012 1.00 0.00 O ATOM 1083 CB VAL A 91 -2.620 -4.679 6.310 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -1.427 -4.248 5.444 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -3.600 -5.436 5.408 1.00 0.00 C ATOM 0 H VAL A 91 -3.699 -4.879 8.797 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.823 -6.467 7.107 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.097 -3.795 6.733 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.784 -3.651 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.737 -3.654 6.044 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.912 -5.132 5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.878 -4.806 4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.127 -6.347 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.493 -5.695 5.977 1.00 0.00 H new ATOM 1095 N ILE A 92 0.088 -5.342 8.323 1.00 0.00 N ATOM 1096 CA ILE A 92 1.253 -4.678 8.876 1.00 0.00 C ATOM 1097 C ILE A 92 1.834 -3.876 7.722 1.00 0.00 C ATOM 1098 O ILE A 92 2.338 -4.448 6.756 1.00 0.00 O ATOM 1099 CB ILE A 92 2.242 -5.713 9.446 1.00 0.00 C ATOM 1100 CG1 ILE A 92 1.560 -6.757 10.356 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.380 -5.000 10.199 1.00 0.00 C ATOM 1102 CD1 ILE A 92 0.667 -6.189 11.458 1.00 0.00 C ATOM 0 H ILE A 92 0.296 -6.250 7.907 1.00 0.00 H new ATOM 0 HA ILE A 92 1.013 -4.023 9.714 1.00 0.00 H new ATOM 0 HB ILE A 92 2.654 -6.261 8.599 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.960 -7.420 9.732 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.334 -7.369 10.819 1.00 0.00 H new ATOM 0 HG21 ILE A 92 4.073 -5.741 10.598 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.911 -4.338 9.514 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.963 -4.415 11.019 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.239 -7.007 12.037 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.260 -5.551 12.114 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.135 -5.603 11.010 1.00 0.00 H new ATOM 1114 N ILE A 93 1.702 -2.553 7.768 1.00 0.00 N ATOM 1115 CA ILE A 93 2.343 -1.678 6.798 1.00 0.00 C ATOM 1116 C ILE A 93 3.716 -1.343 7.385 1.00 0.00 C ATOM 1117 O ILE A 93 3.851 -1.141 8.595 1.00 0.00 O ATOM 1118 CB ILE A 93 1.486 -0.426 6.477 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.028 -0.735 6.350 1.00 0.00 C ATOM 1120 CG2 ILE A 93 2.017 0.162 5.152 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -0.911 0.511 6.212 1.00 0.00 C ATOM 0 H ILE A 93 1.152 -2.063 8.474 1.00 0.00 H new ATOM 0 HA ILE A 93 2.453 -2.166 5.830 1.00 0.00 H new ATOM 0 HB ILE A 93 1.576 0.279 7.303 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.186 -1.377 5.483 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.348 -1.299 7.226 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.439 1.048 4.889 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.066 0.435 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.922 -0.581 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -1.955 0.210 6.128 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.786 1.145 7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.621 1.066 5.320 1.00 0.00 H new ATOM 1133 N LYS A 94 4.750 -1.262 6.551 1.00 0.00 N ATOM 1134 CA LYS A 94 6.124 -0.964 6.934 1.00 0.00 C ATOM 1135 C LYS A 94 6.689 0.032 5.935 1.00 0.00 C ATOM 1136 O LYS A 94 7.053 -0.346 4.831 1.00 0.00 O ATOM 1137 CB LYS A 94 6.940 -2.259 7.009 1.00 0.00 C ATOM 1138 CG LYS A 94 6.789 -2.941 8.373 1.00 0.00 C ATOM 1139 CD LYS A 94 7.768 -4.107 8.531 1.00 0.00 C ATOM 1140 CE LYS A 94 7.917 -4.425 10.022 1.00 0.00 C ATOM 1141 NZ LYS A 94 8.768 -5.608 10.240 1.00 0.00 N ATOM 0 H LYS A 94 4.647 -1.409 5.547 1.00 0.00 H new ATOM 0 HA LYS A 94 6.168 -0.515 7.926 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.616 -2.941 6.223 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.992 -2.039 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.959 -2.212 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.768 -3.304 8.488 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.404 -4.982 7.993 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.736 -3.849 8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.347 -3.566 10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.933 -4.598 10.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 8.300 -6.254 10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.922 -6.096 9.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.684 -5.309 10.633 1.00 0.00 H new ATOM 1155 N TYR A 95 6.731 1.312 6.293 1.00 0.00 N ATOM 1156 CA TYR A 95 7.140 2.376 5.378 1.00 0.00 C ATOM 1157 C TYR A 95 8.422 3.044 5.855 1.00 0.00 C ATOM 1158 O TYR A 95 8.817 2.888 7.010 1.00 0.00 O ATOM 1159 CB TYR A 95 6.001 3.377 5.206 1.00 0.00 C ATOM 1160 CG TYR A 95 5.460 3.936 6.504 1.00 0.00 C ATOM 1161 CD1 TYR A 95 4.472 3.218 7.192 1.00 0.00 C ATOM 1162 CD2 TYR A 95 5.968 5.126 7.051 1.00 0.00 C ATOM 1163 CE1 TYR A 95 4.034 3.661 8.446 1.00 0.00 C ATOM 1164 CE2 TYR A 95 5.464 5.624 8.268 1.00 0.00 C ATOM 1165 CZ TYR A 95 4.502 4.876 8.984 1.00 0.00 C ATOM 1166 OH TYR A 95 4.045 5.282 10.200 1.00 0.00 O ATOM 0 H TYR A 95 6.483 1.642 7.226 1.00 0.00 H new ATOM 0 HA TYR A 95 7.357 1.943 4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 95 6.350 4.203 4.586 1.00 0.00 H new ATOM 0 HB3 TYR A 95 5.187 2.894 4.665 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.049 2.325 6.756 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.750 5.663 6.535 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.330 3.065 9.007 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.811 6.572 8.652 1.00 0.00 H new ATOM 0 HH TYR A 95 4.460 6.138 10.437 1.00 0.00 H new ATOM 1176 N THR A 96 9.054 3.819 4.981 1.00 0.00 N ATOM 1177 CA THR A 96 10.202 4.658 5.266 1.00 0.00 C ATOM 1178 C THR A 96 10.095 5.905 4.381 1.00 0.00 C ATOM 1179 O THR A 96 9.215 6.005 3.515 1.00 0.00 O ATOM 1180 CB THR A 96 11.510 3.837 5.147 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.607 4.668 5.479 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.723 3.204 3.766 1.00 0.00 C ATOM 0 H THR A 96 8.761 3.879 4.006 1.00 0.00 H new ATOM 0 HA THR A 96 10.223 5.015 6.296 1.00 0.00 H new ATOM 0 HB THR A 96 11.428 3.003 5.844 1.00 0.00 H new ATOM 0 HG1 THR A 96 13.434 4.143 5.456 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.659 2.646 3.762 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.897 2.528 3.544 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.764 3.987 3.009 1.00 0.00 H new ATOM 1190 N SER A 97 10.978 6.865 4.636 1.00 0.00 N ATOM 1191 CA SER A 97 11.208 8.034 3.812 1.00 0.00 C ATOM 1192 C SER A 97 12.531 7.899 3.060 1.00 0.00 C ATOM 1193 O SER A 97 13.111 8.892 2.636 1.00 0.00 O ATOM 1194 CB SER A 97 11.116 9.292 4.674 1.00 0.00 C ATOM 1195 OG SER A 97 11.977 9.292 5.804 1.00 0.00 O ATOM 0 H SER A 97 11.577 6.843 5.461 1.00 0.00 H new ATOM 0 HA SER A 97 10.436 8.120 3.047 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.348 10.159 4.056 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.088 9.409 5.016 1.00 0.00 H new ATOM 0 HG SER A 97 11.862 10.128 6.303 1.00 0.00 H new ATOM 1201 N GLN A 98 13.034 6.669 2.932 1.00 0.00 N ATOM 1202 CA GLN A 98 14.130 6.329 2.025 1.00 0.00 C ATOM 1203 C GLN A 98 13.713 5.147 1.154 1.00 0.00 C ATOM 1204 O GLN A 98 12.585 4.670 1.247 1.00 0.00 O ATOM 1205 CB GLN A 98 15.421 5.982 2.784 1.00 0.00 C ATOM 1206 CG GLN A 98 15.893 6.978 3.841 1.00 0.00 C ATOM 1207 CD GLN A 98 16.603 8.207 3.272 1.00 0.00 C ATOM 1208 OE1 GLN A 98 17.828 8.248 3.263 1.00 0.00 O ATOM 1209 NE2 GLN A 98 15.900 9.236 2.842 1.00 0.00 N ATOM 0 H GLN A 98 12.686 5.871 3.463 1.00 0.00 H new ATOM 0 HA GLN A 98 14.338 7.202 1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 98 15.280 5.016 3.268 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.221 5.859 2.054 1.00 0.00 H new ATOM 0 HG2 GLN A 98 15.033 7.307 4.424 1.00 0.00 H new ATOM 0 HG3 GLN A 98 16.568 6.468 4.529 1.00 0.00 H new ATOM 0 HE21 GLN A 98 14.881 9.197 2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 98 16.375 10.071 2.500 1.00 0.00 H new ATOM 1218 N ARG A 99 14.655 4.595 0.392 1.00 0.00 N ATOM 1219 CA ARG A 99 14.469 3.330 -0.314 1.00 0.00 C ATOM 1220 C ARG A 99 14.832 2.112 0.523 1.00 0.00 C ATOM 1221 O ARG A 99 14.329 1.019 0.270 1.00 0.00 O ATOM 1222 CB ARG A 99 15.229 3.380 -1.639 1.00 0.00 C ATOM 1223 CG ARG A 99 14.611 2.416 -2.661 1.00 0.00 C ATOM 1224 CD ARG A 99 15.666 1.513 -3.295 1.00 0.00 C ATOM 1225 NE ARG A 99 15.363 1.303 -4.715 1.00 0.00 N ATOM 1226 CZ ARG A 99 16.177 0.948 -5.715 1.00 0.00 C ATOM 1227 NH1 ARG A 99 17.370 0.435 -5.480 1.00 0.00 N ATOM 1228 NH2 ARG A 99 15.772 1.126 -6.966 1.00 0.00 N ATOM 0 H ARG A 99 15.573 5.015 0.247 1.00 0.00 H new ATOM 0 HA ARG A 99 13.405 3.209 -0.519 1.00 0.00 H new ATOM 0 HB2 ARG A 99 15.212 4.396 -2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 99 16.274 3.120 -1.473 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.854 1.803 -2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.105 2.987 -3.440 1.00 0.00 H new ATOM 0 HD2 ARG A 99 16.653 1.963 -3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.695 0.555 -2.776 1.00 0.00 H new ATOM 0 HE ARG A 99 14.388 1.449 -4.978 1.00 0.00 H new ATOM 0 HH11 ARG A 99 17.688 0.302 -4.520 1.00 0.00 H new ATOM 0 HH12 ARG A 99 17.974 0.171 -6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 99 14.853 1.528 -7.152 1.00 0.00 H new ATOM 0 HH22 ARG A 99 16.380 0.861 -7.741 1.00 0.00 H new ATOM 1242 N ASN A 100 15.714 2.277 1.504 1.00 0.00 N ATOM 1243 CA ASN A 100 16.612 1.207 1.935 1.00 0.00 C ATOM 1244 C ASN A 100 16.853 1.174 3.441 1.00 0.00 C ATOM 1245 O ASN A 100 17.827 0.557 3.868 1.00 0.00 O ATOM 1246 CB ASN A 100 17.906 1.313 1.122 1.00 0.00 C ATOM 1247 CG ASN A 100 18.612 2.623 1.380 1.00 0.00 C ATOM 1248 OD1 ASN A 100 19.168 2.760 2.560 1.00 0.00 O flip ATOM 1249 ND2 ASN A 100 18.514 3.557 0.594 1.00 0.00 N flip ATOM 0 H ASN A 100 15.827 3.149 2.020 1.00 0.00 H new ATOM 0 HA ASN A 100 16.134 0.248 1.736 1.00 0.00 H new ATOM 0 HB2 ASN A 100 18.567 0.485 1.378 1.00 0.00 H new ATOM 0 HB3 ASN A 100 17.679 1.223 0.060 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.075 3.414 -0.316 1.00 0.00 H new ATOM 0 HD22 ASN A 100 18.871 4.478 0.849 1.00 0.00 H new ATOM 1256 N THR A 101 16.041 1.848 4.256 1.00 0.00 N ATOM 1257 CA THR A 101 16.349 2.023 5.690 1.00 0.00 C ATOM 1258 C THR A 101 15.300 1.415 6.625 1.00 0.00 C ATOM 1259 O THR A 101 14.304 0.845 6.178 1.00 0.00 O ATOM 1260 CB THR A 101 16.599 3.505 6.002 1.00 0.00 C ATOM 1261 OG1 THR A 101 15.458 4.281 5.696 1.00 0.00 O ATOM 1262 CG2 THR A 101 17.811 4.039 5.244 1.00 0.00 C ATOM 0 H THR A 101 15.168 2.282 3.957 1.00 0.00 H new ATOM 0 HA THR A 101 17.262 1.461 5.886 1.00 0.00 H new ATOM 0 HB THR A 101 16.804 3.582 7.070 1.00 0.00 H new ATOM 0 HG1 THR A 101 15.575 5.188 6.048 1.00 0.00 H new ATOM 0 HG21 THR A 101 17.959 5.091 5.489 1.00 0.00 H new ATOM 0 HG22 THR A 101 18.697 3.472 5.529 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.644 3.936 4.172 1.00 0.00 H new ATOM 1270 N LYS A 102 15.523 1.543 7.945 1.00 0.00 N ATOM 1271 CA LYS A 102 14.625 1.026 8.970 1.00 0.00 C ATOM 1272 C LYS A 102 13.212 1.532 8.730 1.00 0.00 C ATOM 1273 O LYS A 102 12.974 2.742 8.669 1.00 0.00 O ATOM 1274 CB LYS A 102 15.119 1.413 10.372 1.00 0.00 C ATOM 1275 CG LYS A 102 14.172 0.998 11.510 1.00 0.00 C ATOM 1276 CD LYS A 102 14.024 -0.517 11.669 1.00 0.00 C ATOM 1277 CE LYS A 102 12.703 -0.869 12.361 1.00 0.00 C ATOM 1278 NZ LYS A 102 12.675 -2.281 12.782 1.00 0.00 N ATOM 0 H LYS A 102 16.343 2.015 8.325 1.00 0.00 H new ATOM 0 HA LYS A 102 14.616 -0.062 8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 102 16.094 0.956 10.541 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.263 2.493 10.409 1.00 0.00 H new ATOM 0 HG2 LYS A 102 14.539 1.418 12.447 1.00 0.00 H new ATOM 0 HG3 LYS A 102 13.189 1.433 11.329 1.00 0.00 H new ATOM 0 HD2 LYS A 102 14.065 -0.995 10.690 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.859 -0.909 12.250 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.563 -0.226 13.230 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.872 -0.674 11.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 11.768 -2.487 13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 12.784 -2.894 11.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.454 -2.460 13.448 1.00 0.00 H new ATOM 1292 N LEU A 103 12.286 0.590 8.645 1.00 0.00 N ATOM 1293 CA LEU A 103 10.874 0.814 8.401 1.00 0.00 C ATOM 1294 C LEU A 103 10.205 1.244 9.705 1.00 0.00 C ATOM 1295 O LEU A 103 10.746 1.057 10.798 1.00 0.00 O ATOM 1296 CB LEU A 103 10.294 -0.504 7.838 1.00 0.00 C ATOM 1297 CG LEU A 103 11.084 -1.048 6.615 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.549 -2.370 6.068 1.00 0.00 C ATOM 1299 CD2 LEU A 103 11.122 -0.029 5.477 1.00 0.00 C ATOM 0 H LEU A 103 12.512 -0.399 8.750 1.00 0.00 H new ATOM 0 HA LEU A 103 10.698 1.611 7.678 1.00 0.00 H new ATOM 0 HB2 LEU A 103 10.292 -1.258 8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 103 9.256 -0.342 7.549 1.00 0.00 H new ATOM 0 HG LEU A 103 12.089 -1.230 6.996 1.00 0.00 H new ATOM 0 HD11 LEU A 103 11.153 -2.683 5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 103 10.597 -3.132 6.846 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.514 -2.240 5.750 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.682 -0.442 4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 103 10.105 0.198 5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 103 11.606 0.884 5.822 1.00 0.00 H new ATOM 1311 N LYS A 104 9.045 1.883 9.610 1.00 0.00 N ATOM 1312 CA LYS A 104 8.180 2.220 10.730 1.00 0.00 C ATOM 1313 C LYS A 104 7.321 1.013 11.115 1.00 0.00 C ATOM 1314 O LYS A 104 7.309 0.011 10.392 1.00 0.00 O ATOM 1315 CB LYS A 104 7.302 3.403 10.299 1.00 0.00 C ATOM 1316 CG LYS A 104 7.931 4.770 10.588 1.00 0.00 C ATOM 1317 CD LYS A 104 9.092 5.195 9.685 1.00 0.00 C ATOM 1318 CE LYS A 104 9.280 6.695 9.960 1.00 0.00 C ATOM 1319 NZ LYS A 104 10.114 7.425 8.985 1.00 0.00 N ATOM 0 H LYS A 104 8.668 2.192 8.714 1.00 0.00 H new ATOM 0 HA LYS A 104 8.770 2.493 11.605 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.099 3.324 9.231 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.342 3.338 10.811 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.149 5.527 10.517 1.00 0.00 H new ATOM 0 HG3 LYS A 104 8.283 4.772 11.619 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.998 4.635 9.916 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.863 5.012 8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 104 8.297 7.165 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.723 6.812 10.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.177 8.425 9.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.068 7.011 8.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.686 7.354 8.040 1.00 0.00 H new ATOM 1333 N ALA A 105 6.504 1.133 12.163 1.00 0.00 N ATOM 1334 CA ALA A 105 5.494 0.153 12.563 1.00 0.00 C ATOM 1335 C ALA A 105 4.097 0.785 12.499 1.00 0.00 C ATOM 1336 O ALA A 105 3.835 1.770 13.195 1.00 0.00 O ATOM 1337 CB ALA A 105 5.809 -0.351 13.979 1.00 0.00 C ATOM 0 H ALA A 105 6.529 1.946 12.779 1.00 0.00 H new ATOM 0 HA ALA A 105 5.511 -0.696 11.879 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.058 -1.082 14.281 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.794 -0.818 13.988 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.799 0.488 14.675 1.00 0.00 H new ATOM 1343 N LYS A 106 3.190 0.241 11.679 1.00 0.00 N ATOM 1344 CA LYS A 106 1.769 0.586 11.640 1.00 0.00 C ATOM 1345 C LYS A 106 1.011 -0.705 11.325 1.00 0.00 C ATOM 1346 O LYS A 106 1.432 -1.454 10.441 1.00 0.00 O ATOM 1347 CB LYS A 106 1.560 1.667 10.573 1.00 0.00 C ATOM 1348 CG LYS A 106 0.277 2.514 10.635 1.00 0.00 C ATOM 1349 CD LYS A 106 0.483 3.900 11.267 1.00 0.00 C ATOM 1350 CE LYS A 106 -0.531 4.912 10.703 1.00 0.00 C ATOM 1351 NZ LYS A 106 -0.189 6.311 11.048 1.00 0.00 N ATOM 0 H LYS A 106 3.438 -0.479 11.000 1.00 0.00 H new ATOM 0 HA LYS A 106 1.403 0.990 12.584 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.410 2.348 10.618 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.591 1.182 9.597 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.115 2.639 9.626 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.478 1.973 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 106 0.372 3.832 12.349 1.00 0.00 H new ATOM 0 HD3 LYS A 106 1.498 4.247 11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.577 4.810 9.619 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -1.524 4.679 11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -0.902 6.952 10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.171 6.419 12.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.747 6.546 10.659 1.00 0.00 H new ATOM 1365 N ALA A 107 -0.049 -1.008 12.063 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.776 -2.268 12.013 1.00 0.00 C ATOM 1367 C ALA A 107 -2.259 -1.908 12.095 1.00 0.00 C ATOM 1368 O ALA A 107 -2.714 -1.497 13.162 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.333 -3.146 13.186 1.00 0.00 C ATOM 0 H ALA A 107 -0.441 -0.355 12.741 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.582 -2.832 11.100 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -0.873 -4.092 13.156 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.738 -3.337 13.114 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -0.548 -2.635 14.124 1.00 0.00 H new ATOM 1375 N LEU A 108 -2.979 -1.997 10.974 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.377 -1.574 10.864 1.00 0.00 C ATOM 1377 C LEU A 108 -5.223 -2.787 10.508 1.00 0.00 C ATOM 1378 O LEU A 108 -4.769 -3.644 9.741 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.593 -0.542 9.749 1.00 0.00 C ATOM 1380 CG LEU A 108 -3.913 0.834 9.821 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -4.119 1.555 11.156 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -2.423 0.736 9.489 1.00 0.00 C ATOM 0 H LEU A 108 -2.601 -2.371 10.104 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.655 -1.128 11.819 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.280 -1.007 8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.666 -0.368 9.675 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.407 1.443 9.064 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.610 2.519 11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.184 1.711 11.324 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -3.709 0.949 11.964 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.971 1.726 9.549 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.935 0.071 10.201 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.300 0.341 8.480 1.00 0.00 H new ATOM 1394 N THR A 109 -6.456 -2.866 11.006 1.00 0.00 N ATOM 1395 CA THR A 109 -7.357 -3.953 10.649 1.00 0.00 C ATOM 1396 C THR A 109 -7.926 -3.784 9.234 1.00 0.00 C ATOM 1397 O THR A 109 -8.128 -2.660 8.764 1.00 0.00 O ATOM 1398 CB THR A 109 -8.473 -4.102 11.695 1.00 0.00 C ATOM 1399 OG1 THR A 109 -9.135 -2.873 11.914 1.00 0.00 O ATOM 1400 CG2 THR A 109 -7.924 -4.615 13.026 1.00 0.00 C ATOM 0 H THR A 109 -6.851 -2.188 11.658 1.00 0.00 H new ATOM 0 HA THR A 109 -6.776 -4.875 10.645 1.00 0.00 H new ATOM 0 HB THR A 109 -9.183 -4.828 11.298 1.00 0.00 H new ATOM 0 HG1 THR A 109 -9.841 -2.996 12.582 1.00 0.00 H new ATOM 0 HG21 THR A 109 -8.739 -4.709 13.744 1.00 0.00 H new ATOM 0 HG22 THR A 109 -7.458 -5.589 12.876 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.183 -3.913 13.409 1.00 0.00 H new ATOM 1408 N LEU A 110 -8.287 -4.899 8.581 1.00 0.00 N ATOM 1409 CA LEU A 110 -9.059 -4.852 7.338 1.00 0.00 C ATOM 1410 C LEU A 110 -10.410 -4.171 7.571 1.00 0.00 C ATOM 1411 O LEU A 110 -11.038 -3.693 6.625 1.00 0.00 O ATOM 1412 CB LEU A 110 -9.340 -6.279 6.820 1.00 0.00 C ATOM 1413 CG LEU A 110 -8.275 -6.917 5.918 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -8.733 -8.325 5.509 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -8.055 -6.132 4.625 1.00 0.00 C ATOM 0 H LEU A 110 -8.055 -5.841 8.896 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.471 -4.293 6.610 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -9.487 -6.929 7.682 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.281 -6.260 6.271 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.348 -6.931 6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.979 -8.781 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.869 -8.937 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -9.677 -8.258 4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.292 -6.627 4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.988 -6.088 4.063 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.728 -5.120 4.865 1.00 0.00 H new ATOM 1427 N SER A 111 -10.908 -4.173 8.808 1.00 0.00 N ATOM 1428 CA SER A 111 -12.103 -3.424 9.155 1.00 0.00 C ATOM 1429 C SER A 111 -11.854 -1.913 9.084 1.00 0.00 C ATOM 1430 O SER A 111 -12.669 -1.224 8.469 1.00 0.00 O ATOM 1431 CB SER A 111 -12.655 -3.886 10.505 1.00 0.00 C ATOM 1432 OG SER A 111 -14.065 -4.003 10.415 1.00 0.00 O ATOM 0 H SER A 111 -10.496 -4.689 9.585 1.00 0.00 H new ATOM 0 HA SER A 111 -12.876 -3.632 8.415 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.215 -4.844 10.783 1.00 0.00 H new ATOM 0 HB3 SER A 111 -12.386 -3.174 11.285 1.00 0.00 H new ATOM 0 HG SER A 111 -14.424 -4.300 11.277 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.745 -1.412 9.649 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.347 -0.007 9.586 1.00 0.00 C ATOM 1440 C GLN A 112 -10.360 0.483 8.140 1.00 0.00 C ATOM 1441 O GLN A 112 -11.196 1.312 7.782 1.00 0.00 O ATOM 1442 CB GLN A 112 -8.956 0.204 10.231 1.00 0.00 C ATOM 1443 CG GLN A 112 -9.022 0.807 11.638 1.00 0.00 C ATOM 1444 CD GLN A 112 -9.684 2.184 11.674 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -10.386 2.515 12.626 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -9.517 3.020 10.666 1.00 0.00 N ATOM 0 H GLN A 112 -10.088 -1.990 10.173 1.00 0.00 H new ATOM 0 HA GLN A 112 -11.068 0.581 10.154 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.437 -0.753 10.278 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.363 0.857 9.591 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.572 0.130 12.291 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -8.012 0.886 12.040 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -8.935 2.752 9.872 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -9.970 3.934 10.681 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.479 -0.066 7.302 1.00 0.00 N ATOM 1456 CA LEU A 113 -9.249 0.442 5.952 1.00 0.00 C ATOM 1457 C LEU A 113 -10.515 0.405 5.109 1.00 0.00 C ATOM 1458 O LEU A 113 -10.734 1.278 4.274 1.00 0.00 O ATOM 1459 CB LEU A 113 -8.187 -0.403 5.239 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.727 -0.042 5.527 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -6.354 1.394 5.168 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -6.301 -0.295 6.966 1.00 0.00 C ATOM 0 H LEU A 113 -8.906 -0.875 7.542 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.917 1.475 6.058 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.341 -1.447 5.511 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -8.353 -0.326 4.164 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.186 -0.721 4.868 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -5.304 1.567 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.519 1.557 4.103 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -6.973 2.085 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.255 -0.015 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.919 0.300 7.638 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.424 -1.352 7.201 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.359 -0.605 5.309 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.579 -0.764 4.537 1.00 0.00 C ATOM 1476 C LYS A 114 -13.574 0.329 4.911 1.00 0.00 C ATOM 1477 O LYS A 114 -14.354 0.767 4.065 1.00 0.00 O ATOM 1478 CB LYS A 114 -13.118 -2.168 4.817 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.353 -2.531 3.991 1.00 0.00 C ATOM 1480 CD LYS A 114 -14.935 -3.889 4.412 1.00 0.00 C ATOM 1481 CE LYS A 114 -13.983 -5.102 4.455 1.00 0.00 C ATOM 1482 NZ LYS A 114 -13.264 -5.238 5.746 1.00 0.00 N ATOM 0 H LYS A 114 -11.213 -1.332 6.010 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.395 -0.662 3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.332 -2.896 4.617 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.364 -2.248 5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -15.111 -1.757 4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -14.089 -2.559 2.934 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.372 -3.772 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -15.751 -4.129 3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -14.555 -6.011 4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.255 -5.012 3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -13.021 -6.237 5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -12.393 -4.670 5.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -13.873 -4.903 6.520 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.591 0.758 6.173 1.00 0.00 N ATOM 1497 CA LYS A 115 -14.409 1.869 6.602 1.00 0.00 C ATOM 1498 C LYS A 115 -13.825 3.157 6.045 1.00 0.00 C ATOM 1499 O LYS A 115 -14.545 3.853 5.334 1.00 0.00 O ATOM 1500 CB LYS A 115 -14.529 1.840 8.133 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.988 1.579 8.540 1.00 0.00 C ATOM 1502 CD LYS A 115 -16.479 0.162 8.172 1.00 0.00 C ATOM 1503 CE LYS A 115 -15.895 -0.943 9.051 1.00 0.00 C ATOM 1504 NZ LYS A 115 -16.473 -0.924 10.409 1.00 0.00 N ATOM 0 H LYS A 115 -13.035 0.339 6.918 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.425 1.800 6.214 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.884 1.062 8.542 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -14.190 2.788 8.551 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -16.090 1.724 9.616 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.630 2.316 8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -17.566 0.134 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.224 -0.042 7.132 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -16.083 -1.912 8.589 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.813 -0.824 9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.090 -1.719 10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.229 -0.028 10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.507 -1.012 10.347 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.545 3.429 6.284 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.869 4.644 5.840 1.00 0.00 C ATOM 1520 C GLU A 116 -12.048 4.843 4.333 1.00 0.00 C ATOM 1521 O GLU A 116 -12.582 5.865 3.895 1.00 0.00 O ATOM 1522 CB GLU A 116 -10.381 4.576 6.212 1.00 0.00 C ATOM 1523 CG GLU A 116 -10.156 4.627 7.725 1.00 0.00 C ATOM 1524 CD GLU A 116 -8.675 4.483 8.084 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -8.177 3.345 8.240 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -8.016 5.514 8.338 1.00 0.00 O ATOM 0 H GLU A 116 -11.936 2.797 6.803 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.316 5.502 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.951 3.657 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.853 5.405 5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.535 5.571 8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.725 3.831 8.204 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.642 3.852 3.538 1.00 0.00 N ATOM 1534 CA PHE A 117 -11.356 4.007 2.121 1.00 0.00 C ATOM 1535 C PHE A 117 -12.163 3.052 1.235 1.00 0.00 C ATOM 1536 O PHE A 117 -11.871 2.943 0.046 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.854 3.812 1.892 1.00 0.00 C ATOM 1538 CG PHE A 117 -8.937 4.743 2.662 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -8.877 6.112 2.344 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -8.093 4.225 3.660 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -7.960 6.945 3.006 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -7.172 5.057 4.319 1.00 0.00 C ATOM 1543 CZ PHE A 117 -7.102 6.421 3.985 1.00 0.00 C ATOM 0 H PHE A 117 -11.501 2.899 3.874 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.658 5.013 1.831 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.597 2.785 2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.650 3.932 0.828 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.535 6.522 1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -8.153 3.179 3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -7.915 7.996 2.760 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.521 4.651 5.079 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.390 7.064 4.481 1.00 0.00 H new ATOM 1553 N TYR A 118 -13.188 2.356 1.752 1.00 0.00 N ATOM 1554 CA TYR A 118 -14.030 1.509 0.901 1.00 0.00 C ATOM 1555 C TYR A 118 -15.515 1.486 1.296 1.00 0.00 C ATOM 1556 O TYR A 118 -16.229 0.546 0.948 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.392 0.119 0.758 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.688 -0.560 -0.569 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.192 -0.021 -1.780 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.440 -1.748 -0.584 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.396 -0.708 -2.998 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.678 -2.415 -1.794 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.150 -1.908 -3.000 1.00 0.00 C ATOM 1564 OH TYR A 118 -14.451 -2.570 -4.151 1.00 0.00 O ATOM 0 H TYR A 118 -13.449 2.363 2.738 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.061 1.964 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.312 0.212 0.875 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.747 -0.518 1.568 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.657 0.917 -1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -14.835 -2.147 0.338 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -12.982 -0.323 -3.918 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -15.267 -3.320 -1.803 1.00 0.00 H new ATOM 0 HH TYR A 118 -14.974 -3.371 -3.940 1.00 0.00 H new ATOM 1574 N GLN A 119 -16.034 2.507 1.993 1.00 0.00 N ATOM 1575 CA GLN A 119 -17.387 2.456 2.553 1.00 0.00 C ATOM 1576 C GLN A 119 -18.506 2.497 1.509 1.00 0.00 C ATOM 1577 O GLN A 119 -19.510 1.797 1.632 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.588 3.543 3.625 1.00 0.00 C ATOM 1579 CG GLN A 119 -17.717 5.015 3.192 1.00 0.00 C ATOM 1580 CD GLN A 119 -16.438 5.704 2.707 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -15.250 5.235 3.043 1.00 0.00 O flip ATOM 1582 NE2 GLN A 119 -16.496 6.663 1.957 1.00 0.00 N flip ATOM 0 H GLN A 119 -15.535 3.377 2.181 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.466 1.476 3.023 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -18.487 3.287 4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.750 3.478 4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -18.457 5.071 2.394 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -18.112 5.584 4.034 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -17.402 7.043 1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -15.638 7.086 1.603 1.00 0.00 H new ATOM 1591 N THR A 120 -18.335 3.322 0.489 1.00 0.00 N ATOM 1592 CA THR A 120 -19.369 3.781 -0.438 1.00 0.00 C ATOM 1593 C THR A 120 -19.169 3.088 -1.796 1.00 0.00 C ATOM 1594 O THR A 120 -18.189 2.358 -1.970 1.00 0.00 O ATOM 1595 CB THR A 120 -19.295 5.326 -0.449 1.00 0.00 C ATOM 1596 OG1 THR A 120 -20.241 5.926 -1.308 1.00 0.00 O ATOM 1597 CG2 THR A 120 -17.885 5.794 -0.824 1.00 0.00 C ATOM 0 H THR A 120 -17.420 3.715 0.269 1.00 0.00 H new ATOM 0 HA THR A 120 -20.384 3.512 -0.144 1.00 0.00 H new ATOM 0 HB THR A 120 -19.537 5.647 0.564 1.00 0.00 H new ATOM 0 HG1 THR A 120 -20.146 6.901 -1.270 1.00 0.00 H new ATOM 0 HG21 THR A 120 -17.852 6.883 -0.827 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.169 5.411 -0.097 1.00 0.00 H new ATOM 0 HG23 THR A 120 -17.630 5.421 -1.816 1.00 0.00 H new ATOM 1605 N ARG A 121 -20.090 3.270 -2.751 1.00 0.00 N ATOM 1606 CA ARG A 121 -19.999 2.701 -4.102 1.00 0.00 C ATOM 1607 C ARG A 121 -19.079 3.491 -5.004 1.00 0.00 C ATOM 1608 O ARG A 121 -18.240 2.893 -5.678 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.386 2.659 -4.751 1.00 0.00 C ATOM 1610 CG ARG A 121 -22.066 1.300 -4.525 1.00 0.00 C ATOM 1611 CD ARG A 121 -23.580 1.425 -4.374 1.00 0.00 C ATOM 1612 NE ARG A 121 -23.953 1.681 -2.974 1.00 0.00 N ATOM 1613 CZ ARG A 121 -24.266 0.752 -2.061 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -24.195 -0.546 -2.338 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -24.670 1.134 -0.855 1.00 0.00 N ATOM 0 H ARG A 121 -20.933 3.826 -2.604 1.00 0.00 H new ATOM 0 HA ARG A 121 -19.591 1.697 -3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.008 3.453 -4.337 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.296 2.850 -5.820 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -21.840 0.640 -5.363 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.652 0.834 -3.631 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.946 2.235 -5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.060 0.510 -4.720 1.00 0.00 H new ATOM 0 HE ARG A 121 -23.975 2.655 -2.671 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -23.897 -0.854 -3.263 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -24.439 -1.234 -1.625 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -24.740 2.127 -0.631 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -24.911 0.435 -0.153 1.00 0.00 H new ATOM 1629 N SER A 122 -19.239 4.806 -5.026 1.00 0.00 N ATOM 1630 CA SER A 122 -18.478 5.683 -5.893 1.00 0.00 C ATOM 1631 C SER A 122 -16.972 5.514 -5.642 1.00 0.00 C ATOM 1632 O SER A 122 -16.203 5.393 -6.591 1.00 0.00 O ATOM 1633 CB SER A 122 -18.989 7.100 -5.644 1.00 0.00 C ATOM 1634 OG SER A 122 -20.389 7.167 -5.881 1.00 0.00 O ATOM 0 H SER A 122 -19.910 5.296 -4.434 1.00 0.00 H new ATOM 0 HA SER A 122 -18.615 5.440 -6.947 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.772 7.397 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A 122 -18.469 7.802 -6.296 1.00 0.00 H new ATOM 0 HG SER A 122 -20.705 8.080 -5.716 1.00 0.00 H new ATOM 1640 N GLN A 123 -16.563 5.319 -4.382 1.00 0.00 N ATOM 1641 CA GLN A 123 -15.153 5.136 -4.029 1.00 0.00 C ATOM 1642 C GLN A 123 -14.564 3.887 -4.678 1.00 0.00 C ATOM 1643 O GLN A 123 -13.372 3.846 -4.963 1.00 0.00 O ATOM 1644 CB GLN A 123 -15.027 5.066 -2.503 1.00 0.00 C ATOM 1645 CG GLN A 123 -13.611 4.862 -1.940 1.00 0.00 C ATOM 1646 CD GLN A 123 -13.637 5.290 -0.477 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -12.923 6.168 -0.002 1.00 0.00 O ATOM 1648 NE2 GLN A 123 -14.570 4.730 0.272 1.00 0.00 N ATOM 0 H GLN A 123 -17.197 5.284 -3.584 1.00 0.00 H new ATOM 0 HA GLN A 123 -14.585 5.986 -4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -15.431 5.988 -2.085 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -15.657 4.251 -2.146 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -13.309 3.819 -2.029 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -12.886 5.453 -2.500 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -15.166 4.000 -0.117 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -14.694 5.028 1.240 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.385 2.860 -4.917 1.00 0.00 N ATOM 1658 CA LYS A 124 -14.927 1.611 -5.509 1.00 0.00 C ATOM 1659 C LYS A 124 -14.463 1.857 -6.936 1.00 0.00 C ATOM 1660 O LYS A 124 -13.537 1.186 -7.362 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.015 0.522 -5.497 1.00 0.00 C ATOM 1662 CG LYS A 124 -16.747 0.409 -4.153 1.00 0.00 C ATOM 1663 CD LYS A 124 -17.925 -0.571 -4.188 1.00 0.00 C ATOM 1664 CE LYS A 124 -17.495 -1.989 -3.824 1.00 0.00 C ATOM 1665 NZ LYS A 124 -18.664 -2.876 -3.692 1.00 0.00 N ATOM 0 H LYS A 124 -16.382 2.876 -4.704 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.097 1.249 -4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -16.741 0.735 -6.281 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -15.560 -0.439 -5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -16.040 0.090 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.111 1.394 -3.861 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -18.697 -0.236 -3.495 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -18.369 -0.570 -5.184 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -16.824 -2.377 -4.590 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -16.937 -1.975 -2.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -18.346 -3.835 -3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -19.291 -2.515 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -19.181 -2.905 -4.594 1.00 0.00 H new ATOM 1679 N ARG A 125 -15.087 2.794 -7.663 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.658 3.137 -9.014 1.00 0.00 C ATOM 1681 C ARG A 125 -13.229 3.615 -8.966 1.00 0.00 C ATOM 1682 O ARG A 125 -12.438 3.194 -9.796 1.00 0.00 O ATOM 1683 CB ARG A 125 -15.557 4.226 -9.642 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.421 3.697 -10.780 1.00 0.00 C ATOM 1685 CD ARG A 125 -17.249 2.491 -10.321 1.00 0.00 C ATOM 1686 NE ARG A 125 -18.594 2.478 -10.896 1.00 0.00 N ATOM 1687 CZ ARG A 125 -18.948 2.231 -12.157 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -18.057 2.018 -13.118 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -20.236 2.188 -12.459 1.00 0.00 N ATOM 0 H ARG A 125 -15.892 3.326 -7.332 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.739 2.247 -9.638 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -16.200 4.649 -8.870 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -14.931 5.037 -10.014 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -17.085 4.485 -11.135 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.788 3.411 -11.620 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.731 1.573 -10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.323 2.499 -9.234 1.00 0.00 H new ATOM 0 HE ARG A 125 -19.357 2.684 -10.251 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -17.060 2.040 -12.903 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -18.369 1.832 -14.071 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -20.936 2.342 -11.733 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -20.529 2.001 -13.418 1.00 0.00 H new ATOM 1703 N GLU A 126 -12.911 4.540 -8.069 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.574 5.093 -8.012 1.00 0.00 C ATOM 1705 C GLU A 126 -10.597 4.049 -7.512 1.00 0.00 C ATOM 1706 O GLU A 126 -9.646 3.755 -8.215 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.562 6.328 -7.113 1.00 0.00 C ATOM 1708 CG GLU A 126 -11.752 7.616 -7.911 1.00 0.00 C ATOM 1709 CD GLU A 126 -13.172 8.195 -7.871 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -13.634 8.605 -6.782 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -13.815 8.313 -8.944 1.00 0.00 O ATOM 0 H GLU A 126 -13.559 4.918 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.266 5.392 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.353 6.242 -6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -10.618 6.373 -6.571 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -11.058 8.367 -7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.481 7.426 -8.950 1.00 0.00 H new ATOM 1718 N VAL A 127 -10.832 3.486 -6.331 1.00 0.00 N ATOM 1719 CA VAL A 127 -9.967 2.473 -5.723 1.00 0.00 C ATOM 1720 C VAL A 127 -9.650 1.356 -6.723 1.00 0.00 C ATOM 1721 O VAL A 127 -8.480 1.057 -6.941 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.599 1.961 -4.411 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.888 0.733 -3.821 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -10.575 3.070 -3.345 1.00 0.00 C ATOM 0 H VAL A 127 -11.642 3.723 -5.758 1.00 0.00 H new ATOM 0 HA VAL A 127 -9.008 2.919 -5.460 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.617 1.670 -4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -10.388 0.430 -2.901 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.922 -0.087 -4.539 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.849 0.983 -3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -11.023 2.699 -2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -9.544 3.368 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.141 3.930 -3.702 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.661 0.739 -7.337 1.00 0.00 N ATOM 1735 CA ASP A 128 -10.445 -0.368 -8.271 1.00 0.00 C ATOM 1736 C ASP A 128 -9.831 0.108 -9.598 1.00 0.00 C ATOM 1737 O ASP A 128 -9.251 -0.687 -10.343 1.00 0.00 O ATOM 1738 CB ASP A 128 -11.774 -1.104 -8.475 1.00 0.00 C ATOM 1739 CG ASP A 128 -11.634 -2.585 -8.820 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -10.540 -3.077 -9.159 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -12.637 -3.307 -8.592 1.00 0.00 O ATOM 0 H ASP A 128 -11.641 0.988 -7.204 1.00 0.00 H new ATOM 0 HA ASP A 128 -9.717 -1.060 -7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -12.369 -1.011 -7.567 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -12.329 -0.610 -9.272 1.00 0.00 H new ATOM 1746 N ASP A 129 -9.903 1.413 -9.895 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.193 2.030 -11.018 1.00 0.00 C ATOM 1748 C ASP A 129 -7.734 2.308 -10.661 1.00 0.00 C ATOM 1749 O ASP A 129 -6.870 2.214 -11.536 1.00 0.00 O ATOM 1750 CB ASP A 129 -9.889 3.286 -11.573 1.00 0.00 C ATOM 1751 CG ASP A 129 -11.018 2.963 -12.561 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -11.196 1.788 -12.954 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -11.717 3.893 -13.021 1.00 0.00 O ATOM 0 H ASP A 129 -10.462 2.074 -9.356 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.216 1.300 -11.827 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.295 3.865 -10.744 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.149 3.915 -12.069 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.420 2.568 -9.389 1.00 0.00 N ATOM 1759 CA TYR A 130 -6.051 2.584 -8.888 1.00 0.00 C ATOM 1760 C TYR A 130 -5.467 1.168 -9.012 1.00 0.00 C ATOM 1761 O TYR A 130 -4.307 1.016 -9.394 1.00 0.00 O ATOM 1762 CB TYR A 130 -5.967 3.094 -7.437 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.710 4.367 -7.019 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -7.123 5.373 -7.921 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -6.961 4.547 -5.648 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -7.790 6.529 -7.445 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.634 5.674 -5.166 1.00 0.00 C ATOM 1768 CZ TYR A 130 -8.028 6.689 -6.053 1.00 0.00 C ATOM 1769 OH TYR A 130 -8.634 7.791 -5.524 1.00 0.00 O ATOM 0 H TYR A 130 -8.118 2.775 -8.675 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.466 3.281 -9.488 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.318 2.289 -6.792 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.912 3.247 -7.210 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.930 5.260 -8.978 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -6.625 3.796 -4.949 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -8.117 7.288 -8.140 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -7.851 5.764 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.698 7.694 -4.551 1.00 0.00 H new ATOM 1779 N VAL A 131 -6.266 0.113 -8.789 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.812 -1.264 -9.000 1.00 0.00 C ATOM 1781 C VAL A 131 -5.505 -1.513 -10.490 1.00 0.00 C ATOM 1782 O VAL A 131 -4.692 -2.377 -10.810 1.00 0.00 O ATOM 1783 CB VAL A 131 -6.776 -2.309 -8.386 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -6.212 -3.740 -8.470 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -6.994 -2.056 -6.888 1.00 0.00 C ATOM 0 H VAL A 131 -7.229 0.191 -8.463 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.877 -1.396 -8.456 1.00 0.00 H new ATOM 0 HB VAL A 131 -7.699 -2.212 -8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -6.923 -4.438 -8.027 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -6.046 -4.005 -9.514 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -5.268 -3.791 -7.928 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -7.675 -2.807 -6.488 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -6.039 -2.117 -6.366 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -7.423 -1.064 -6.745 1.00 0.00 H new ATOM 1795 N ALA A 132 -6.087 -0.745 -11.416 1.00 0.00 N ATOM 1796 CA ALA A 132 -5.774 -0.811 -12.840 1.00 0.00 C ATOM 1797 C ALA A 132 -4.626 0.144 -13.231 1.00 0.00 C ATOM 1798 O ALA A 132 -4.479 0.487 -14.412 1.00 0.00 O ATOM 1799 CB ALA A 132 -7.050 -0.529 -13.642 1.00 0.00 C ATOM 0 H ALA A 132 -6.799 -0.051 -11.190 1.00 0.00 H new ATOM 0 HA ALA A 132 -5.416 -1.813 -13.076 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -6.828 -0.576 -14.708 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.806 -1.274 -13.396 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.424 0.464 -13.393 1.00 0.00 H new ATOM 1805 N GLY A 133 -3.857 0.661 -12.264 1.00 0.00 N ATOM 1806 CA GLY A 133 -2.808 1.656 -12.478 1.00 0.00 C ATOM 1807 C GLY A 133 -1.514 1.376 -11.719 1.00 0.00 C ATOM 1808 O GLY A 133 -0.649 2.251 -11.666 1.00 0.00 O ATOM 0 H GLY A 133 -3.953 0.389 -11.286 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -2.586 1.710 -13.544 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -3.185 2.635 -12.181 1.00 0.00 H new ATOM 1812 N LEU A 134 -1.391 0.193 -11.108 1.00 0.00 N ATOM 1813 CA LEU A 134 -0.430 -0.089 -10.038 1.00 0.00 C ATOM 1814 C LEU A 134 0.597 -1.171 -10.362 1.00 0.00 C ATOM 1815 O LEU A 134 1.144 -1.807 -9.465 1.00 0.00 O ATOM 1816 CB LEU A 134 -1.159 -0.422 -8.746 1.00 0.00 C ATOM 1817 CG LEU A 134 -2.170 -1.580 -8.755 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -1.753 -2.927 -9.348 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -2.588 -1.817 -7.305 1.00 0.00 C ATOM 0 H LEU A 134 -1.969 -0.612 -11.349 1.00 0.00 H new ATOM 0 HA LEU A 134 0.147 0.829 -9.923 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -0.407 -0.643 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -1.685 0.476 -8.421 1.00 0.00 H new ATOM 0 HG LEU A 134 -2.954 -1.243 -9.433 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -2.583 -3.630 -9.274 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -1.481 -2.795 -10.395 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -0.897 -3.318 -8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -3.308 -2.634 -7.263 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -1.711 -2.075 -6.711 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -3.043 -0.911 -6.905 1.00 0.00 H new ATOM 1831 N ARG A 135 0.808 -1.374 -11.651 1.00 0.00 N ATOM 1832 CA ARG A 135 1.711 -2.299 -12.335 1.00 0.00 C ATOM 1833 C ARG A 135 1.657 -3.678 -11.695 1.00 0.00 C ATOM 1834 O ARG A 135 0.698 -4.036 -11.013 1.00 0.00 O ATOM 1835 CB ARG A 135 3.111 -1.659 -12.511 1.00 0.00 C ATOM 1836 CG ARG A 135 3.126 -0.906 -13.839 1.00 0.00 C ATOM 1837 CD ARG A 135 4.325 0.014 -13.849 1.00 0.00 C ATOM 1838 NE ARG A 135 4.660 0.460 -15.204 1.00 0.00 N ATOM 1839 CZ ARG A 135 5.885 0.626 -15.713 1.00 0.00 C ATOM 1840 NH1 ARG A 135 6.978 0.259 -15.050 1.00 0.00 N ATOM 1841 NH2 ARG A 135 6.015 1.199 -16.899 1.00 0.00 N ATOM 0 H ARG A 135 0.285 -0.826 -12.334 1.00 0.00 H new ATOM 0 HA ARG A 135 1.380 -2.482 -13.357 1.00 0.00 H new ATOM 0 HB2 ARG A 135 3.325 -0.980 -11.686 1.00 0.00 H new ATOM 0 HB3 ARG A 135 3.884 -2.427 -12.500 1.00 0.00 H new ATOM 0 HG2 ARG A 135 3.178 -1.607 -14.672 1.00 0.00 H new ATOM 0 HG3 ARG A 135 2.207 -0.333 -13.961 1.00 0.00 H new ATOM 0 HD2 ARG A 135 4.122 0.882 -13.221 1.00 0.00 H new ATOM 0 HD3 ARG A 135 5.182 -0.501 -13.414 1.00 0.00 H new ATOM 0 HE ARG A 135 3.876 0.665 -15.824 1.00 0.00 H new ATOM 0 HH11 ARG A 135 6.896 -0.163 -14.125 1.00 0.00 H new ATOM 0 HH12 ARG A 135 7.898 0.399 -15.467 1.00 0.00 H new ATOM 0 HH21 ARG A 135 5.188 1.506 -17.410 1.00 0.00 H new ATOM 0 HH22 ARG A 135 6.943 1.333 -17.302 1.00 0.00 H new ATOM 1855 N THR A 136 2.636 -4.514 -11.987 1.00 0.00 N ATOM 1856 CA THR A 136 2.897 -5.629 -11.093 1.00 0.00 C ATOM 1857 C THR A 136 4.370 -6.038 -11.075 1.00 0.00 C ATOM 1858 O THR A 136 4.772 -6.943 -10.350 1.00 0.00 O ATOM 1859 CB THR A 136 2.016 -6.845 -11.497 1.00 0.00 C ATOM 1860 OG1 THR A 136 1.405 -6.706 -12.771 1.00 0.00 O ATOM 1861 CG2 THR A 136 0.914 -7.210 -10.500 1.00 0.00 C ATOM 0 H THR A 136 3.244 -4.450 -12.804 1.00 0.00 H new ATOM 0 HA THR A 136 2.643 -5.300 -10.085 1.00 0.00 H new ATOM 0 HB THR A 136 2.750 -7.651 -11.515 1.00 0.00 H new ATOM 0 HG1 THR A 136 0.868 -7.503 -12.965 1.00 0.00 H new ATOM 0 HG21 THR A 136 0.356 -8.069 -10.872 1.00 0.00 H new ATOM 0 HG22 THR A 136 1.362 -7.457 -9.537 1.00 0.00 H new ATOM 0 HG23 THR A 136 0.238 -6.364 -10.379 1.00 0.00 H new ATOM 1869 N GLU A 137 5.168 -5.415 -11.928 1.00 0.00 N ATOM 1870 CA GLU A 137 6.553 -5.745 -12.175 1.00 0.00 C ATOM 1871 C GLU A 137 7.135 -4.574 -12.941 1.00 0.00 C ATOM 1872 O GLU A 137 6.624 -4.288 -14.050 1.00 0.00 O ATOM 1873 CB GLU A 137 6.641 -7.067 -12.957 1.00 0.00 C ATOM 1874 CG GLU A 137 7.989 -7.753 -12.726 1.00 0.00 C ATOM 1875 CD GLU A 137 8.058 -9.132 -13.387 1.00 0.00 C ATOM 1876 OE1 GLU A 137 7.324 -9.393 -14.371 1.00 0.00 O ATOM 1877 OE2 GLU A 137 8.871 -9.969 -12.938 1.00 0.00 O ATOM 0 H GLU A 137 4.847 -4.628 -12.492 1.00 0.00 H new ATOM 0 HA GLU A 137 7.117 -5.900 -11.255 1.00 0.00 H new ATOM 0 HB2 GLU A 137 5.834 -7.731 -12.648 1.00 0.00 H new ATOM 0 HB3 GLU A 137 6.505 -6.874 -14.021 1.00 0.00 H new ATOM 0 HG2 GLU A 137 8.787 -7.123 -13.119 1.00 0.00 H new ATOM 0 HG3 GLU A 137 8.163 -7.856 -11.655 1.00 0.00 H new TER 1884 GLU A 137