USER MOD reduce.3.24.130724 H: found=0, std=0, add=664, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 27 MET CE :methyl 162:sc= -0.102 (180deg=-0.54) USER MOD Single : A 28 ASN : amide:sc= -1.66! K(o=-1.7!,f=-0.023) USER MOD Single : A 29 ASN : amide:sc=-0.00514 X(o=-0.0051,f=-0.16) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot -59:sc= 0.786 USER MOD Single : A 42 THR OG1 : rot 84:sc= 1 USER MOD Single : A 44 CYS SG : rot 180:sc= -0.673 USER MOD Single : A 46 SER OG : rot -32:sc= 0.0478 USER MOD Single : A 47 THR OG1 : rot -66:sc= 0.382 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.172 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.333 USER MOD Single : A 58 GLN : amide:sc= -0.117 K(o=-0.12,f=0.42) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.14) USER MOD Single : A 78 CYS SG : rot -15:sc= -6.73! USER MOD Single : A 79 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.49) USER MOD Single : A 82 CYS SG : rot 67:sc= 0.761 USER MOD Single : A 87 ASN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= -1.75! (180deg=-3.07!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 167:sc= -0.0107 (180deg=-0.197) USER MOD Single : A 97 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 98 LYS NZ :NH3+ 153:sc= -0.0603 (180deg=-0.337) USER MOD Single : A 99 MET CE :methyl -153:sc= -0.272 (180deg=-1.12) USER MOD Single : A 102 SER OG : rot -8:sc= 0.85 USER MOD Single : A 103 LYS NZ :NH3+ 165:sc= -0.0443 (180deg=-0.342) USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= -0.0795 (180deg=-0.407) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 24 -11.571 -12.152 -4.882 1.00 0.00 N ATOM 2 CA GLY A 24 -12.989 -12.602 -4.945 1.00 0.00 C ATOM 3 C GLY A 24 -13.932 -11.647 -4.243 1.00 0.00 C ATOM 4 O GLY A 24 -14.039 -11.658 -3.016 1.00 0.00 O ATOM 0 HA2 GLY A 24 -13.289 -12.703 -5.988 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.074 -13.590 -4.492 1.00 0.00 H new ATOM 10 N SER A 25 -14.616 -10.815 -5.021 1.00 0.00 N ATOM 11 CA SER A 25 -15.556 -9.847 -4.468 1.00 0.00 C ATOM 12 C SER A 25 -16.973 -10.410 -4.454 1.00 0.00 C ATOM 13 O SER A 25 -17.355 -11.177 -5.339 1.00 0.00 O ATOM 14 CB SER A 25 -15.517 -8.550 -5.279 1.00 0.00 C ATOM 15 OG SER A 25 -15.893 -8.779 -6.626 1.00 0.00 O ATOM 0 H SER A 25 -14.537 -10.792 -6.038 1.00 0.00 H new ATOM 0 HA SER A 25 -15.260 -9.635 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 25 -16.188 -7.817 -4.831 1.00 0.00 H new ATOM 0 HB3 SER A 25 -14.513 -8.126 -5.245 1.00 0.00 H new ATOM 0 HG SER A 25 -15.862 -7.935 -7.122 1.00 0.00 H new ATOM 21 N HIS A 26 -17.747 -10.026 -3.444 1.00 0.00 N ATOM 22 CA HIS A 26 -19.123 -10.492 -3.314 1.00 0.00 C ATOM 23 C HIS A 26 -19.917 -9.581 -2.383 1.00 0.00 C ATOM 24 O HIS A 26 -21.087 -9.289 -2.635 1.00 0.00 O ATOM 25 CB HIS A 26 -19.152 -11.929 -2.786 1.00 0.00 C ATOM 26 CG HIS A 26 -20.529 -12.516 -2.721 1.00 0.00 C ATOM 27 ND1 HIS A 26 -21.038 -13.352 -3.693 1.00 0.00 N ATOM 28 CD2 HIS A 26 -21.504 -12.385 -1.791 1.00 0.00 C ATOM 29 CE1 HIS A 26 -22.267 -13.708 -3.364 1.00 0.00 C ATOM 30 NE2 HIS A 26 -22.573 -13.136 -2.214 1.00 0.00 N ATOM 0 H HIS A 26 -17.445 -9.393 -2.703 1.00 0.00 H new ATOM 0 HA HIS A 26 -19.584 -10.467 -4.302 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -18.529 -12.555 -3.425 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -18.709 -11.950 -1.790 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -21.451 -11.799 -0.885 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -22.912 -14.357 -3.938 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -23.460 -13.236 -1.720 1.00 0.00 H new ATOM 39 N MET A 27 -19.275 -9.137 -1.307 1.00 0.00 N ATOM 40 CA MET A 27 -19.924 -8.261 -0.340 1.00 0.00 C ATOM 41 C MET A 27 -18.998 -7.122 0.074 1.00 0.00 C ATOM 42 O MET A 27 -19.359 -5.949 -0.027 1.00 0.00 O ATOM 43 CB MET A 27 -20.352 -9.059 0.894 1.00 0.00 C ATOM 44 CG MET A 27 -21.117 -8.235 1.917 1.00 0.00 C ATOM 45 SD MET A 27 -22.628 -7.520 1.242 1.00 0.00 S ATOM 46 CE MET A 27 -23.538 -8.999 0.803 1.00 0.00 C ATOM 0 H MET A 27 -18.307 -9.369 -1.084 1.00 0.00 H new ATOM 0 HA MET A 27 -20.807 -7.832 -0.813 1.00 0.00 H new ATOM 0 HB2 MET A 27 -20.973 -9.897 0.577 1.00 0.00 H new ATOM 0 HB3 MET A 27 -19.466 -9.481 1.369 1.00 0.00 H new ATOM 0 HG2 MET A 27 -21.367 -8.864 2.771 1.00 0.00 H new ATOM 0 HG3 MET A 27 -20.475 -7.436 2.287 1.00 0.00 H new ATOM 0 HE1 MET A 27 -24.592 -8.753 0.677 1.00 0.00 H new ATOM 0 HE2 MET A 27 -23.145 -9.404 -0.130 1.00 0.00 H new ATOM 0 HE3 MET A 27 -23.431 -9.741 1.595 1.00 0.00 H new ATOM 56 N ASN A 28 -17.803 -7.473 0.539 1.00 0.00 N ATOM 57 CA ASN A 28 -16.830 -6.475 0.970 1.00 0.00 C ATOM 58 C ASN A 28 -15.403 -6.995 0.829 1.00 0.00 C ATOM 59 O ASN A 28 -15.142 -8.183 1.024 1.00 0.00 O ATOM 60 CB ASN A 28 -17.094 -6.072 2.421 1.00 0.00 C ATOM 61 CG ASN A 28 -17.017 -7.251 3.370 1.00 0.00 C ATOM 62 OD1 ASN A 28 -15.951 -7.569 3.899 1.00 0.00 O ATOM 63 ND2 ASN A 28 -18.149 -7.909 3.589 1.00 0.00 N ATOM 0 H ASN A 28 -17.486 -8.438 0.627 1.00 0.00 H new ATOM 0 HA ASN A 28 -16.940 -5.602 0.327 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -16.368 -5.317 2.724 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -18.080 -5.613 2.494 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -18.158 -8.713 4.217 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -19.009 -7.611 3.129 1.00 0.00 H new ATOM 70 N ASN A 29 -14.487 -6.095 0.491 1.00 0.00 N ATOM 71 CA ASN A 29 -13.082 -6.450 0.328 1.00 0.00 C ATOM 72 C ASN A 29 -12.205 -5.209 0.437 1.00 0.00 C ATOM 73 O ASN A 29 -11.154 -5.115 -0.198 1.00 0.00 O ATOM 74 CB ASN A 29 -12.859 -7.138 -1.020 1.00 0.00 C ATOM 75 CG ASN A 29 -13.165 -6.227 -2.193 1.00 0.00 C ATOM 76 OD1 ASN A 29 -12.283 -5.534 -2.702 1.00 0.00 O ATOM 77 ND2 ASN A 29 -14.419 -6.223 -2.627 1.00 0.00 N ATOM 0 H ASN A 29 -14.693 -5.110 0.324 1.00 0.00 H new ATOM 0 HA ASN A 29 -12.806 -7.143 1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -11.825 -7.475 -1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -13.488 -8.026 -1.080 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -14.685 -5.629 -3.413 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -15.117 -6.814 -2.175 1.00 0.00 H new ATOM 84 N GLU A 30 -12.645 -4.265 1.261 1.00 0.00 N ATOM 85 CA GLU A 30 -11.917 -3.018 1.465 1.00 0.00 C ATOM 86 C GLU A 30 -11.198 -3.019 2.808 1.00 0.00 C ATOM 87 O GLU A 30 -10.103 -2.471 2.936 1.00 0.00 O ATOM 88 CB GLU A 30 -12.874 -1.828 1.394 1.00 0.00 C ATOM 89 CG GLU A 30 -14.116 -1.991 2.255 1.00 0.00 C ATOM 90 CD GLU A 30 -15.026 -0.779 2.201 1.00 0.00 C ATOM 91 OE1 GLU A 30 -15.911 -0.741 1.321 1.00 0.00 O ATOM 92 OE2 GLU A 30 -14.854 0.130 3.039 1.00 0.00 O ATOM 0 H GLU A 30 -13.507 -4.340 1.801 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.173 -2.930 0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.344 -0.927 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.178 -1.679 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -14.669 -2.871 1.926 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.817 -2.170 3.288 1.00 0.00 H new ATOM 99 N ASP A 31 -11.830 -3.631 3.805 1.00 0.00 N ATOM 100 CA ASP A 31 -11.264 -3.710 5.150 1.00 0.00 C ATOM 101 C ASP A 31 -9.798 -4.136 5.111 1.00 0.00 C ATOM 102 O ASP A 31 -9.483 -5.296 4.847 1.00 0.00 O ATOM 103 CB ASP A 31 -12.068 -4.692 6.004 1.00 0.00 C ATOM 104 CG ASP A 31 -13.527 -4.297 6.120 1.00 0.00 C ATOM 105 OD1 ASP A 31 -13.852 -3.474 7.001 1.00 0.00 O ATOM 106 OD2 ASP A 31 -14.346 -4.810 5.328 1.00 0.00 O ATOM 0 H ASP A 31 -12.740 -4.082 3.707 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.318 -2.716 5.594 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.998 -5.689 5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -11.629 -4.747 7.000 1.00 0.00 H new ATOM 111 N PHE A 32 -8.909 -3.183 5.376 1.00 0.00 N ATOM 112 CA PHE A 32 -7.473 -3.447 5.375 1.00 0.00 C ATOM 113 C PHE A 32 -7.003 -3.938 6.741 1.00 0.00 C ATOM 114 O PHE A 32 -5.848 -4.326 6.908 1.00 0.00 O ATOM 115 CB PHE A 32 -6.702 -2.186 4.976 1.00 0.00 C ATOM 116 CG PHE A 32 -7.198 -0.934 5.646 1.00 0.00 C ATOM 117 CD1 PHE A 32 -6.828 -0.631 6.945 1.00 0.00 C ATOM 118 CD2 PHE A 32 -8.034 -0.059 4.969 1.00 0.00 C ATOM 119 CE1 PHE A 32 -7.281 0.522 7.559 1.00 0.00 C ATOM 120 CE2 PHE A 32 -8.491 1.095 5.578 1.00 0.00 C ATOM 121 CZ PHE A 32 -8.114 1.385 6.874 1.00 0.00 C ATOM 0 H PHE A 32 -9.158 -2.218 5.595 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.275 -4.232 4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -5.648 -2.324 5.218 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -6.766 -2.059 3.895 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -6.178 -1.303 7.485 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.331 -0.281 3.955 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.984 0.748 8.573 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.142 1.769 5.041 1.00 0.00 H new ATOM 0 HZ PHE A 32 -8.470 2.286 7.352 1.00 0.00 H new ATOM 131 N SER A 33 -7.907 -3.916 7.716 1.00 0.00 N ATOM 132 CA SER A 33 -7.585 -4.354 9.070 1.00 0.00 C ATOM 133 C SER A 33 -7.253 -5.843 9.106 1.00 0.00 C ATOM 134 O SER A 33 -6.692 -6.339 10.083 1.00 0.00 O ATOM 135 CB SER A 33 -8.754 -4.060 10.012 1.00 0.00 C ATOM 136 OG SER A 33 -9.045 -2.674 10.044 1.00 0.00 O ATOM 0 H SER A 33 -8.869 -3.599 7.593 1.00 0.00 H new ATOM 0 HA SER A 33 -6.706 -3.800 9.401 1.00 0.00 H new ATOM 0 HB2 SER A 33 -9.635 -4.613 9.687 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.512 -4.408 11.016 1.00 0.00 H new ATOM 0 HG SER A 33 -9.797 -2.511 10.651 1.00 0.00 H new ATOM 142 N GLN A 34 -7.604 -6.552 8.036 1.00 0.00 N ATOM 143 CA GLN A 34 -7.343 -7.985 7.951 1.00 0.00 C ATOM 144 C GLN A 34 -6.128 -8.266 7.072 1.00 0.00 C ATOM 145 O GLN A 34 -5.553 -9.354 7.118 1.00 0.00 O ATOM 146 CB GLN A 34 -8.573 -8.713 7.400 1.00 0.00 C ATOM 147 CG GLN A 34 -8.446 -10.228 7.415 1.00 0.00 C ATOM 148 CD GLN A 34 -9.700 -10.921 6.919 1.00 0.00 C ATOM 149 OE1 GLN A 34 -10.607 -11.220 7.695 1.00 0.00 O ATOM 150 NE2 GLN A 34 -9.757 -11.181 5.617 1.00 0.00 N ATOM 0 H GLN A 34 -8.069 -6.158 7.218 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.131 -8.354 8.954 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.447 -8.425 7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -8.751 -8.383 6.377 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -7.601 -10.525 6.794 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -8.228 -10.561 8.430 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.982 -10.915 5.010 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -10.576 -11.646 5.225 1.00 0.00 H new ATOM 159 N TRP A 35 -5.740 -7.276 6.274 1.00 0.00 N ATOM 160 CA TRP A 35 -4.592 -7.414 5.384 1.00 0.00 C ATOM 161 C TRP A 35 -3.319 -7.711 6.170 1.00 0.00 C ATOM 162 O TRP A 35 -3.093 -7.151 7.243 1.00 0.00 O ATOM 163 CB TRP A 35 -4.407 -6.141 4.557 1.00 0.00 C ATOM 164 CG TRP A 35 -5.351 -6.040 3.396 1.00 0.00 C ATOM 165 CD1 TRP A 35 -6.642 -6.483 3.342 1.00 0.00 C ATOM 166 CD2 TRP A 35 -5.076 -5.453 2.120 1.00 0.00 C ATOM 167 NE1 TRP A 35 -7.184 -6.211 2.110 1.00 0.00 N ATOM 168 CE2 TRP A 35 -6.242 -5.579 1.342 1.00 0.00 C ATOM 169 CE3 TRP A 35 -3.954 -4.836 1.560 1.00 0.00 C ATOM 170 CZ2 TRP A 35 -6.319 -5.107 0.034 1.00 0.00 C ATOM 171 CZ3 TRP A 35 -4.031 -4.368 0.262 1.00 0.00 C ATOM 172 CH2 TRP A 35 -5.206 -4.506 -0.489 1.00 0.00 C ATOM 0 H TRP A 35 -6.204 -6.369 6.225 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.785 -8.252 4.715 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -4.544 -5.274 5.203 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.383 -6.103 4.187 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.161 -6.976 4.151 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -8.133 -6.442 1.815 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.044 -4.727 2.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -7.224 -5.211 -0.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -3.171 -3.888 -0.181 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.234 -4.130 -1.501 1.00 0.00 H new ATOM 183 N SER A 36 -2.492 -8.598 5.625 1.00 0.00 N ATOM 184 CA SER A 36 -1.239 -8.976 6.266 1.00 0.00 C ATOM 185 C SER A 36 -0.050 -8.579 5.397 1.00 0.00 C ATOM 186 O SER A 36 -0.213 -7.909 4.379 1.00 0.00 O ATOM 187 CB SER A 36 -1.212 -10.481 6.536 1.00 0.00 C ATOM 188 OG SER A 36 -1.339 -11.218 5.331 1.00 0.00 O ATOM 0 H SER A 36 -2.669 -9.069 4.738 1.00 0.00 H new ATOM 0 HA SER A 36 -1.168 -8.446 7.216 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.279 -10.748 7.033 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.022 -10.746 7.215 1.00 0.00 H new ATOM 0 HG SER A 36 -2.181 -10.981 4.890 1.00 0.00 H new ATOM 194 N VAL A 37 1.143 -8.997 5.805 1.00 0.00 N ATOM 195 CA VAL A 37 2.359 -8.678 5.064 1.00 0.00 C ATOM 196 C VAL A 37 2.255 -9.121 3.604 1.00 0.00 C ATOM 197 O VAL A 37 2.758 -8.447 2.707 1.00 0.00 O ATOM 198 CB VAL A 37 3.598 -9.334 5.715 1.00 0.00 C ATOM 199 CG1 VAL A 37 4.793 -9.307 4.774 1.00 0.00 C ATOM 200 CG2 VAL A 37 3.941 -8.636 7.023 1.00 0.00 C ATOM 0 H VAL A 37 1.295 -9.557 6.644 1.00 0.00 H new ATOM 0 HA VAL A 37 2.475 -7.595 5.094 1.00 0.00 H new ATOM 0 HB VAL A 37 3.356 -10.376 5.923 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.649 -9.775 5.260 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.550 -9.852 3.862 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.037 -8.274 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.816 -9.109 7.469 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.156 -7.585 6.829 1.00 0.00 H new ATOM 0 HG23 VAL A 37 3.097 -8.713 7.709 1.00 0.00 H new ATOM 210 N ASP A 38 1.592 -10.249 3.372 1.00 0.00 N ATOM 211 CA ASP A 38 1.436 -10.779 2.020 1.00 0.00 C ATOM 212 C ASP A 38 0.435 -9.961 1.206 1.00 0.00 C ATOM 213 O ASP A 38 0.719 -9.564 0.077 1.00 0.00 O ATOM 214 CB ASP A 38 0.987 -12.240 2.073 1.00 0.00 C ATOM 215 CG ASP A 38 1.943 -13.111 2.866 1.00 0.00 C ATOM 216 OD1 ASP A 38 2.995 -13.493 2.314 1.00 0.00 O ATOM 217 OD2 ASP A 38 1.637 -13.410 4.039 1.00 0.00 O ATOM 0 H ASP A 38 1.154 -10.814 4.100 1.00 0.00 H new ATOM 0 HA ASP A 38 2.406 -10.713 1.527 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.006 -12.296 2.519 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.903 -12.628 1.058 1.00 0.00 H new ATOM 222 N ASP A 39 -0.735 -9.712 1.788 1.00 0.00 N ATOM 223 CA ASP A 39 -1.786 -8.955 1.108 1.00 0.00 C ATOM 224 C ASP A 39 -1.336 -7.535 0.769 1.00 0.00 C ATOM 225 O ASP A 39 -1.607 -7.036 -0.323 1.00 0.00 O ATOM 226 CB ASP A 39 -3.045 -8.906 1.976 1.00 0.00 C ATOM 227 CG ASP A 39 -3.599 -10.287 2.269 1.00 0.00 C ATOM 228 OD1 ASP A 39 -4.346 -10.820 1.421 1.00 0.00 O ATOM 229 OD2 ASP A 39 -3.286 -10.835 3.348 1.00 0.00 O ATOM 0 H ASP A 39 -0.981 -10.022 2.728 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.006 -9.468 0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.816 -8.402 2.915 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.807 -8.311 1.473 1.00 0.00 H new ATOM 234 N VAL A 40 -0.649 -6.890 1.706 1.00 0.00 N ATOM 235 CA VAL A 40 -0.179 -5.522 1.506 1.00 0.00 C ATOM 236 C VAL A 40 0.904 -5.446 0.432 1.00 0.00 C ATOM 237 O VAL A 40 0.809 -4.645 -0.497 1.00 0.00 O ATOM 238 CB VAL A 40 0.367 -4.918 2.815 1.00 0.00 C ATOM 239 CG1 VAL A 40 0.888 -3.507 2.582 1.00 0.00 C ATOM 240 CG2 VAL A 40 -0.706 -4.922 3.892 1.00 0.00 C ATOM 0 H VAL A 40 -0.405 -7.292 2.611 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.043 -4.945 1.176 1.00 0.00 H new ATOM 0 HB VAL A 40 1.199 -5.535 3.155 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.268 -3.100 3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.691 -3.533 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.078 -2.876 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.303 -4.492 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.559 -4.331 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.027 -5.946 4.082 1.00 0.00 H new ATOM 250 N ILE A 41 1.928 -6.281 0.565 1.00 0.00 N ATOM 251 CA ILE A 41 3.033 -6.295 -0.390 1.00 0.00 C ATOM 252 C ILE A 41 2.571 -6.696 -1.788 1.00 0.00 C ATOM 253 O ILE A 41 2.709 -5.926 -2.738 1.00 0.00 O ATOM 254 CB ILE A 41 4.153 -7.252 0.062 1.00 0.00 C ATOM 255 CG1 ILE A 41 4.789 -6.748 1.358 1.00 0.00 C ATOM 256 CG2 ILE A 41 5.207 -7.398 -1.030 1.00 0.00 C ATOM 257 CD1 ILE A 41 5.799 -7.708 1.950 1.00 0.00 C ATOM 0 H ILE A 41 2.017 -6.957 1.324 1.00 0.00 H new ATOM 0 HA ILE A 41 3.420 -5.277 -0.426 1.00 0.00 H new ATOM 0 HB ILE A 41 3.716 -8.233 0.248 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.277 -5.793 1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.003 -6.563 2.091 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.989 -8.078 -0.692 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.744 -7.798 -1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.643 -6.423 -1.248 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.209 -7.285 2.867 1.00 0.00 H new ATOM 0 HD12 ILE A 41 5.311 -8.657 2.174 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.605 -7.875 1.235 1.00 0.00 H new ATOM 269 N THR A 42 2.034 -7.906 -1.908 1.00 0.00 N ATOM 270 CA THR A 42 1.566 -8.416 -3.195 1.00 0.00 C ATOM 271 C THR A 42 0.708 -7.390 -3.929 1.00 0.00 C ATOM 272 O THR A 42 0.952 -7.092 -5.098 1.00 0.00 O ATOM 273 CB THR A 42 0.762 -9.719 -3.030 1.00 0.00 C ATOM 274 OG1 THR A 42 1.531 -10.679 -2.294 1.00 0.00 O ATOM 275 CG2 THR A 42 0.387 -10.298 -4.386 1.00 0.00 C ATOM 0 H THR A 42 1.911 -8.553 -1.129 1.00 0.00 H new ATOM 0 HA THR A 42 2.458 -8.621 -3.787 1.00 0.00 H new ATOM 0 HB THR A 42 -0.153 -9.489 -2.484 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.428 -10.514 -1.334 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.180 -11.218 -4.245 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.221 -9.578 -4.934 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.293 -10.514 -4.953 1.00 0.00 H new ATOM 283 N TRP A 43 -0.298 -6.852 -3.244 1.00 0.00 N ATOM 284 CA TRP A 43 -1.179 -5.861 -3.850 1.00 0.00 C ATOM 285 C TRP A 43 -0.407 -4.594 -4.206 1.00 0.00 C ATOM 286 O TRP A 43 -0.640 -3.990 -5.254 1.00 0.00 O ATOM 287 CB TRP A 43 -2.338 -5.513 -2.914 1.00 0.00 C ATOM 288 CG TRP A 43 -3.265 -4.488 -3.493 1.00 0.00 C ATOM 289 CD1 TRP A 43 -4.284 -4.709 -4.374 1.00 0.00 C ATOM 290 CD2 TRP A 43 -3.250 -3.079 -3.240 1.00 0.00 C ATOM 291 NE1 TRP A 43 -4.902 -3.522 -4.686 1.00 0.00 N ATOM 292 CE2 TRP A 43 -4.286 -2.507 -4.002 1.00 0.00 C ATOM 293 CE3 TRP A 43 -2.462 -2.244 -2.442 1.00 0.00 C ATOM 294 CZ2 TRP A 43 -4.553 -1.140 -3.990 1.00 0.00 C ATOM 295 CZ3 TRP A 43 -2.728 -0.888 -2.431 1.00 0.00 C ATOM 296 CH2 TRP A 43 -3.766 -0.348 -3.201 1.00 0.00 C ATOM 0 H TRP A 43 -0.521 -7.084 -2.276 1.00 0.00 H new ATOM 0 HA TRP A 43 -1.585 -6.296 -4.763 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -2.901 -6.419 -2.688 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -1.938 -5.142 -1.970 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -4.563 -5.675 -4.768 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -5.691 -3.414 -5.323 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -1.660 -2.652 -1.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.353 -0.721 -4.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.125 -0.234 -1.818 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.948 0.716 -3.171 1.00 0.00 H new ATOM 307 N CYS A 44 0.509 -4.198 -3.328 1.00 0.00 N ATOM 308 CA CYS A 44 1.316 -3.003 -3.549 1.00 0.00 C ATOM 309 C CYS A 44 2.040 -3.082 -4.886 1.00 0.00 C ATOM 310 O CYS A 44 1.747 -2.318 -5.801 1.00 0.00 O ATOM 311 CB CYS A 44 2.330 -2.824 -2.418 1.00 0.00 C ATOM 312 SG CYS A 44 3.439 -1.413 -2.638 1.00 0.00 S ATOM 0 H CYS A 44 0.711 -4.687 -2.456 1.00 0.00 H new ATOM 0 HA CYS A 44 0.648 -2.142 -3.564 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.792 -2.707 -1.477 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.927 -3.732 -2.333 1.00 0.00 H new ATOM 0 HG CYS A 44 4.258 -1.343 -1.631 1.00 0.00 H new ATOM 318 N ILE A 45 2.982 -4.015 -4.988 1.00 0.00 N ATOM 319 CA ILE A 45 3.759 -4.208 -6.209 1.00 0.00 C ATOM 320 C ILE A 45 2.858 -4.331 -7.437 1.00 0.00 C ATOM 321 O ILE A 45 3.133 -3.737 -8.480 1.00 0.00 O ATOM 322 CB ILE A 45 4.635 -5.473 -6.109 1.00 0.00 C ATOM 323 CG1 ILE A 45 5.616 -5.346 -4.943 1.00 0.00 C ATOM 324 CG2 ILE A 45 5.381 -5.711 -7.414 1.00 0.00 C ATOM 325 CD1 ILE A 45 6.387 -6.618 -4.659 1.00 0.00 C ATOM 0 H ILE A 45 3.227 -4.655 -4.232 1.00 0.00 H new ATOM 0 HA ILE A 45 4.393 -3.328 -6.321 1.00 0.00 H new ATOM 0 HB ILE A 45 3.988 -6.331 -5.926 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.322 -4.544 -5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.067 -5.056 -4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.994 -6.608 -7.324 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.664 -5.841 -8.225 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.020 -4.855 -7.629 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.063 -6.454 -3.820 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.690 -7.419 -4.412 1.00 0.00 H new ATOM 0 HD13 ILE A 45 6.964 -6.898 -5.540 1.00 0.00 H new ATOM 337 N SER A 46 1.786 -5.104 -7.305 1.00 0.00 N ATOM 338 CA SER A 46 0.853 -5.319 -8.408 1.00 0.00 C ATOM 339 C SER A 46 0.273 -4.006 -8.929 1.00 0.00 C ATOM 340 O SER A 46 -0.246 -3.952 -10.045 1.00 0.00 O ATOM 341 CB SER A 46 -0.281 -6.246 -7.965 1.00 0.00 C ATOM 342 OG SER A 46 -1.189 -6.484 -9.027 1.00 0.00 O ATOM 0 H SER A 46 1.540 -5.593 -6.445 1.00 0.00 H new ATOM 0 HA SER A 46 1.411 -5.783 -9.222 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.133 -7.192 -7.618 1.00 0.00 H new ATOM 0 HB3 SER A 46 -0.810 -5.801 -7.122 1.00 0.00 H new ATOM 0 HG SER A 46 -1.234 -5.692 -9.602 1.00 0.00 H new ATOM 348 N THR A 47 0.361 -2.948 -8.125 1.00 0.00 N ATOM 349 CA THR A 47 -0.172 -1.649 -8.524 1.00 0.00 C ATOM 350 C THR A 47 0.750 -0.497 -8.124 1.00 0.00 C ATOM 351 O THR A 47 0.331 0.661 -8.132 1.00 0.00 O ATOM 352 CB THR A 47 -1.559 -1.396 -7.900 1.00 0.00 C ATOM 353 OG1 THR A 47 -1.448 -1.322 -6.473 1.00 0.00 O ATOM 354 CG2 THR A 47 -2.542 -2.493 -8.276 1.00 0.00 C ATOM 0 H THR A 47 0.793 -2.965 -7.201 1.00 0.00 H new ATOM 0 HA THR A 47 -0.251 -1.681 -9.611 1.00 0.00 H new ATOM 0 HB THR A 47 -1.934 -0.450 -8.290 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.188 -2.198 -6.119 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.510 -2.286 -7.821 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.651 -2.528 -9.360 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.171 -3.453 -7.917 1.00 0.00 H new ATOM 362 N LEU A 48 2.002 -0.800 -7.787 1.00 0.00 N ATOM 363 CA LEU A 48 2.939 0.247 -7.382 1.00 0.00 C ATOM 364 C LEU A 48 3.718 0.775 -8.581 1.00 0.00 C ATOM 365 O LEU A 48 3.492 1.898 -9.032 1.00 0.00 O ATOM 366 CB LEU A 48 3.917 -0.297 -6.327 1.00 0.00 C ATOM 367 CG LEU A 48 4.586 0.746 -5.419 1.00 0.00 C ATOM 368 CD1 LEU A 48 5.484 1.679 -6.217 1.00 0.00 C ATOM 369 CD2 LEU A 48 3.541 1.539 -4.647 1.00 0.00 C ATOM 0 H LEU A 48 2.387 -1.745 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 48 2.364 1.068 -6.953 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.381 -1.006 -5.696 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.699 -0.856 -6.841 1.00 0.00 H new ATOM 0 HG LEU A 48 5.211 0.211 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.942 2.405 -5.546 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.263 1.099 -6.711 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.890 2.202 -6.967 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.037 2.272 -4.011 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.884 2.053 -5.348 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.953 0.861 -4.029 1.00 0.00 H new ATOM 381 N GLU A 49 4.635 -0.038 -9.096 1.00 0.00 N ATOM 382 CA GLU A 49 5.439 0.358 -10.245 1.00 0.00 C ATOM 383 C GLU A 49 5.731 -0.821 -11.165 1.00 0.00 C ATOM 384 O GLU A 49 5.342 -0.827 -12.334 1.00 0.00 O ATOM 385 CB GLU A 49 6.752 0.992 -9.781 1.00 0.00 C ATOM 386 CG GLU A 49 7.621 1.490 -10.924 1.00 0.00 C ATOM 387 CD GLU A 49 6.910 2.504 -11.799 1.00 0.00 C ATOM 388 OE1 GLU A 49 6.901 3.699 -11.436 1.00 0.00 O ATOM 389 OE2 GLU A 49 6.361 2.103 -12.846 1.00 0.00 O ATOM 0 H GLU A 49 4.839 -0.971 -8.737 1.00 0.00 H new ATOM 0 HA GLU A 49 4.862 1.090 -10.811 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.529 1.825 -9.115 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.314 0.261 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.527 1.939 -10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.931 0.643 -11.535 1.00 0.00 H new ATOM 396 N VAL A 50 6.424 -1.820 -10.621 1.00 0.00 N ATOM 397 CA VAL A 50 6.815 -2.998 -11.388 1.00 0.00 C ATOM 398 C VAL A 50 6.012 -4.234 -10.989 1.00 0.00 C ATOM 399 O VAL A 50 4.976 -4.133 -10.333 1.00 0.00 O ATOM 400 CB VAL A 50 8.318 -3.290 -11.195 1.00 0.00 C ATOM 401 CG1 VAL A 50 9.149 -2.062 -11.533 1.00 0.00 C ATOM 402 CG2 VAL A 50 8.597 -3.750 -9.771 1.00 0.00 C ATOM 0 H VAL A 50 6.727 -1.835 -9.647 1.00 0.00 H new ATOM 0 HA VAL A 50 6.608 -2.778 -12.435 1.00 0.00 H new ATOM 0 HB VAL A 50 8.601 -4.093 -11.875 1.00 0.00 H new ATOM 0 HG11 VAL A 50 10.206 -2.287 -11.391 1.00 0.00 H new ATOM 0 HG12 VAL A 50 8.975 -1.779 -12.571 1.00 0.00 H new ATOM 0 HG13 VAL A 50 8.863 -1.238 -10.880 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.662 -3.951 -9.656 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.297 -2.970 -9.071 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.032 -4.659 -9.565 1.00 0.00 H new ATOM 412 N GLU A 51 6.507 -5.401 -11.398 1.00 0.00 N ATOM 413 CA GLU A 51 5.856 -6.672 -11.091 1.00 0.00 C ATOM 414 C GLU A 51 6.538 -7.352 -9.908 1.00 0.00 C ATOM 415 O GLU A 51 7.442 -6.783 -9.297 1.00 0.00 O ATOM 416 CB GLU A 51 5.903 -7.593 -12.309 1.00 0.00 C ATOM 417 CG GLU A 51 7.304 -7.782 -12.865 1.00 0.00 C ATOM 418 CD GLU A 51 7.369 -8.861 -13.927 1.00 0.00 C ATOM 419 OE1 GLU A 51 7.500 -10.048 -13.562 1.00 0.00 O ATOM 420 OE2 GLU A 51 7.287 -8.519 -15.127 1.00 0.00 O ATOM 0 H GLU A 51 7.362 -5.492 -11.946 1.00 0.00 H new ATOM 0 HA GLU A 51 4.817 -6.471 -10.830 1.00 0.00 H new ATOM 0 HB2 GLU A 51 5.493 -8.566 -12.037 1.00 0.00 H new ATOM 0 HB3 GLU A 51 5.262 -7.184 -13.090 1.00 0.00 H new ATOM 0 HG2 GLU A 51 7.653 -6.840 -13.288 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.983 -8.037 -12.051 1.00 0.00 H new ATOM 427 N GLU A 52 6.106 -8.571 -9.591 1.00 0.00 N ATOM 428 CA GLU A 52 6.686 -9.309 -8.474 1.00 0.00 C ATOM 429 C GLU A 52 8.062 -9.860 -8.842 1.00 0.00 C ATOM 430 O GLU A 52 8.226 -11.058 -9.070 1.00 0.00 O ATOM 431 CB GLU A 52 5.758 -10.452 -8.058 1.00 0.00 C ATOM 432 CG GLU A 52 4.359 -9.993 -7.678 1.00 0.00 C ATOM 433 CD GLU A 52 3.449 -11.143 -7.297 1.00 0.00 C ATOM 434 OE1 GLU A 52 2.791 -11.703 -8.199 1.00 0.00 O ATOM 435 OE2 GLU A 52 3.394 -11.485 -6.097 1.00 0.00 O ATOM 0 H GLU A 52 5.363 -9.064 -10.087 1.00 0.00 H new ATOM 0 HA GLU A 52 6.804 -8.622 -7.636 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.687 -11.167 -8.877 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.201 -10.979 -7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.424 -9.295 -6.843 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.920 -9.449 -8.514 1.00 0.00 H new ATOM 442 N THR A 53 9.043 -8.966 -8.900 1.00 0.00 N ATOM 443 CA THR A 53 10.415 -9.335 -9.226 1.00 0.00 C ATOM 444 C THR A 53 11.394 -8.501 -8.411 1.00 0.00 C ATOM 445 O THR A 53 12.316 -9.026 -7.786 1.00 0.00 O ATOM 446 CB THR A 53 10.716 -9.138 -10.724 1.00 0.00 C ATOM 447 OG1 THR A 53 10.477 -7.777 -11.097 1.00 0.00 O ATOM 448 CG2 THR A 53 9.857 -10.061 -11.576 1.00 0.00 C ATOM 0 H THR A 53 8.910 -7.970 -8.723 1.00 0.00 H new ATOM 0 HA THR A 53 10.532 -10.391 -8.983 1.00 0.00 H new ATOM 0 HB THR A 53 11.764 -9.383 -10.896 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.672 -7.660 -12.050 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.088 -9.903 -12.630 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.063 -11.098 -11.311 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.804 -9.844 -11.399 1.00 0.00 H new ATOM 456 N ASP A 54 11.173 -7.190 -8.434 1.00 0.00 N ATOM 457 CA ASP A 54 12.013 -6.240 -7.716 1.00 0.00 C ATOM 458 C ASP A 54 12.005 -6.522 -6.209 1.00 0.00 C ATOM 459 O ASP A 54 10.972 -6.888 -5.648 1.00 0.00 O ATOM 460 CB ASP A 54 11.522 -4.816 -7.997 1.00 0.00 C ATOM 461 CG ASP A 54 12.359 -3.754 -7.311 1.00 0.00 C ATOM 462 OD1 ASP A 54 12.043 -3.402 -6.156 1.00 0.00 O ATOM 463 OD2 ASP A 54 13.331 -3.273 -7.931 1.00 0.00 O ATOM 0 H ASP A 54 10.407 -6.758 -8.951 1.00 0.00 H new ATOM 0 HA ASP A 54 13.040 -6.346 -8.065 1.00 0.00 H new ATOM 0 HB2 ASP A 54 11.532 -4.640 -9.073 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.487 -4.723 -7.668 1.00 0.00 H new ATOM 468 N PRO A 55 13.164 -6.354 -5.534 1.00 0.00 N ATOM 469 CA PRO A 55 13.292 -6.600 -4.087 1.00 0.00 C ATOM 470 C PRO A 55 12.380 -5.719 -3.230 1.00 0.00 C ATOM 471 O PRO A 55 12.404 -5.811 -2.003 1.00 0.00 O ATOM 472 CB PRO A 55 14.763 -6.283 -3.791 1.00 0.00 C ATOM 473 CG PRO A 55 15.221 -5.448 -4.936 1.00 0.00 C ATOM 474 CD PRO A 55 14.445 -5.928 -6.126 1.00 0.00 C ATOM 0 HA PRO A 55 12.995 -7.620 -3.841 1.00 0.00 H new ATOM 0 HB2 PRO A 55 14.868 -5.748 -2.847 1.00 0.00 H new ATOM 0 HB3 PRO A 55 15.353 -7.195 -3.708 1.00 0.00 H new ATOM 0 HG2 PRO A 55 15.035 -4.391 -4.748 1.00 0.00 H new ATOM 0 HG3 PRO A 55 16.293 -5.559 -5.097 1.00 0.00 H new ATOM 0 HD2 PRO A 55 14.306 -5.137 -6.863 1.00 0.00 H new ATOM 0 HD3 PRO A 55 14.950 -6.751 -6.632 1.00 0.00 H new ATOM 482 N LEU A 56 11.590 -4.860 -3.873 1.00 0.00 N ATOM 483 CA LEU A 56 10.676 -3.968 -3.155 1.00 0.00 C ATOM 484 C LEU A 56 9.886 -4.724 -2.086 1.00 0.00 C ATOM 485 O LEU A 56 9.569 -4.174 -1.028 1.00 0.00 O ATOM 486 CB LEU A 56 9.709 -3.300 -4.139 1.00 0.00 C ATOM 487 CG LEU A 56 8.647 -2.395 -3.504 1.00 0.00 C ATOM 488 CD1 LEU A 56 9.278 -1.127 -2.949 1.00 0.00 C ATOM 489 CD2 LEU A 56 7.567 -2.052 -4.519 1.00 0.00 C ATOM 0 H LEU A 56 11.563 -4.762 -4.888 1.00 0.00 H new ATOM 0 HA LEU A 56 11.275 -3.204 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 56 10.289 -2.709 -4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.204 -4.078 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 56 8.188 -2.936 -2.677 1.00 0.00 H new ATOM 0 HD11 LEU A 56 8.505 -0.501 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.015 -1.389 -2.190 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.767 -0.581 -3.756 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.821 -1.409 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 56 8.015 -1.533 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.090 -2.968 -4.867 1.00 0.00 H new ATOM 501 N CYS A 57 9.581 -5.988 -2.363 1.00 0.00 N ATOM 502 CA CYS A 57 8.827 -6.819 -1.430 1.00 0.00 C ATOM 503 C CYS A 57 9.642 -7.111 -0.176 1.00 0.00 C ATOM 504 O CYS A 57 9.115 -7.082 0.936 1.00 0.00 O ATOM 505 CB CYS A 57 8.420 -8.131 -2.101 1.00 0.00 C ATOM 506 SG CYS A 57 9.810 -9.093 -2.744 1.00 0.00 S ATOM 0 H CYS A 57 9.845 -6.460 -3.228 1.00 0.00 H new ATOM 0 HA CYS A 57 7.931 -6.271 -1.139 1.00 0.00 H new ATOM 0 HB2 CYS A 57 7.872 -8.740 -1.382 1.00 0.00 H new ATOM 0 HB3 CYS A 57 7.735 -7.911 -2.920 1.00 0.00 H new ATOM 0 HG CYS A 57 9.366 -10.186 -3.291 1.00 0.00 H new ATOM 512 N GLN A 58 10.928 -7.395 -0.362 1.00 0.00 N ATOM 513 CA GLN A 58 11.816 -7.700 0.754 1.00 0.00 C ATOM 514 C GLN A 58 11.900 -6.528 1.728 1.00 0.00 C ATOM 515 O GLN A 58 11.870 -6.719 2.944 1.00 0.00 O ATOM 516 CB GLN A 58 13.213 -8.055 0.241 1.00 0.00 C ATOM 517 CG GLN A 58 14.204 -8.382 1.347 1.00 0.00 C ATOM 518 CD GLN A 58 13.731 -9.514 2.238 1.00 0.00 C ATOM 519 OE1 GLN A 58 13.056 -9.289 3.242 1.00 0.00 O ATOM 520 NE2 GLN A 58 14.083 -10.741 1.873 1.00 0.00 N ATOM 0 H GLN A 58 11.378 -7.420 -1.277 1.00 0.00 H new ATOM 0 HA GLN A 58 11.403 -8.557 1.286 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.137 -8.909 -0.432 1.00 0.00 H new ATOM 0 HB3 GLN A 58 13.598 -7.221 -0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.163 -8.650 0.903 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.372 -7.492 1.954 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.644 -10.882 1.033 1.00 0.00 H new ATOM 0 HE22 GLN A 58 13.793 -11.543 2.433 1.00 0.00 H new ATOM 529 N ARG A 59 12.010 -5.318 1.190 1.00 0.00 N ATOM 530 CA ARG A 59 12.098 -4.121 2.019 1.00 0.00 C ATOM 531 C ARG A 59 10.825 -3.931 2.837 1.00 0.00 C ATOM 532 O ARG A 59 10.879 -3.559 4.009 1.00 0.00 O ATOM 533 CB ARG A 59 12.350 -2.885 1.150 1.00 0.00 C ATOM 534 CG ARG A 59 13.646 -2.948 0.356 1.00 0.00 C ATOM 535 CD ARG A 59 14.859 -3.045 1.269 1.00 0.00 C ATOM 536 NE ARG A 59 16.110 -3.100 0.517 1.00 0.00 N ATOM 537 CZ ARG A 59 17.246 -3.588 1.011 1.00 0.00 C ATOM 538 NH1 ARG A 59 17.282 -4.075 2.244 1.00 0.00 N ATOM 539 NH2 ARG A 59 18.344 -3.592 0.269 1.00 0.00 N ATOM 0 H ARG A 59 12.040 -5.140 0.186 1.00 0.00 H new ATOM 0 HA ARG A 59 12.935 -4.248 2.706 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.516 -2.762 0.458 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.368 -2.001 1.788 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.623 -3.809 -0.311 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.732 -2.061 -0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.877 -2.186 1.939 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.772 -3.934 1.893 1.00 0.00 H new ATOM 0 HE ARG A 59 16.113 -2.745 -0.439 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.438 -4.076 2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 59 18.154 -4.448 2.620 1.00 0.00 H new ATOM 0 HH21 ARG A 59 18.319 -3.221 -0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 59 19.214 -3.966 0.648 1.00 0.00 H new ATOM 553 N LEU A 60 9.680 -4.192 2.212 1.00 0.00 N ATOM 554 CA LEU A 60 8.392 -4.048 2.883 1.00 0.00 C ATOM 555 C LEU A 60 8.072 -5.277 3.732 1.00 0.00 C ATOM 556 O LEU A 60 7.179 -5.242 4.578 1.00 0.00 O ATOM 557 CB LEU A 60 7.279 -3.822 1.855 1.00 0.00 C ATOM 558 CG LEU A 60 7.441 -2.578 0.978 1.00 0.00 C ATOM 559 CD1 LEU A 60 6.383 -2.556 -0.114 1.00 0.00 C ATOM 560 CD2 LEU A 60 7.362 -1.312 1.819 1.00 0.00 C ATOM 0 H LEU A 60 9.618 -4.504 1.243 1.00 0.00 H new ATOM 0 HA LEU A 60 8.453 -3.182 3.542 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.221 -4.697 1.208 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.328 -3.753 2.383 1.00 0.00 H new ATOM 0 HG LEU A 60 8.424 -2.617 0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.513 -1.665 -0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.485 -3.444 -0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.392 -2.543 0.340 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.480 -0.440 1.176 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.394 -1.267 2.318 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.156 -1.321 2.566 1.00 0.00 H new ATOM 572 N ARG A 61 8.804 -6.364 3.499 1.00 0.00 N ATOM 573 CA ARG A 61 8.594 -7.603 4.243 1.00 0.00 C ATOM 574 C ARG A 61 9.160 -7.502 5.657 1.00 0.00 C ATOM 575 O ARG A 61 8.494 -7.866 6.625 1.00 0.00 O ATOM 576 CB ARG A 61 9.234 -8.782 3.506 1.00 0.00 C ATOM 577 CG ARG A 61 8.961 -10.129 4.157 1.00 0.00 C ATOM 578 CD ARG A 61 10.247 -10.803 4.606 1.00 0.00 C ATOM 579 NE ARG A 61 9.992 -12.068 5.289 1.00 0.00 N ATOM 580 CZ ARG A 61 10.943 -12.946 5.599 1.00 0.00 C ATOM 581 NH1 ARG A 61 12.207 -12.698 5.282 1.00 0.00 N ATOM 582 NH2 ARG A 61 10.630 -14.071 6.225 1.00 0.00 N ATOM 0 H ARG A 61 9.547 -6.412 2.802 1.00 0.00 H new ATOM 0 HA ARG A 61 7.519 -7.769 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.865 -8.802 2.481 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.311 -8.625 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 61 8.302 -9.993 5.015 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.437 -10.775 3.452 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.885 -10.981 3.740 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.793 -10.135 5.272 1.00 0.00 H new ATOM 0 HE ARG A 61 9.030 -12.292 5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.452 -11.833 4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.934 -13.372 5.521 1.00 0.00 H new ATOM 0 HH21 ARG A 61 9.659 -14.265 6.470 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.360 -14.743 6.462 1.00 0.00 H new ATOM 596 N GLU A 62 10.395 -7.011 5.768 1.00 0.00 N ATOM 597 CA GLU A 62 11.044 -6.863 7.069 1.00 0.00 C ATOM 598 C GLU A 62 10.133 -6.122 8.038 1.00 0.00 C ATOM 599 O GLU A 62 9.722 -6.671 9.060 1.00 0.00 O ATOM 600 CB GLU A 62 12.374 -6.121 6.923 1.00 0.00 C ATOM 601 CG GLU A 62 13.372 -6.835 6.024 1.00 0.00 C ATOM 602 CD GLU A 62 14.680 -6.079 5.890 1.00 0.00 C ATOM 603 OE1 GLU A 62 14.769 -5.196 5.011 1.00 0.00 O ATOM 604 OE2 GLU A 62 15.615 -6.370 6.664 1.00 0.00 O ATOM 0 H GLU A 62 10.963 -6.711 4.976 1.00 0.00 H new ATOM 0 HA GLU A 62 11.242 -7.858 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 62 12.183 -5.126 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 62 12.817 -5.988 7.910 1.00 0.00 H new ATOM 0 HG2 GLU A 62 13.570 -7.829 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 62 12.933 -6.972 5.036 1.00 0.00 H new ATOM 611 N ASN A 63 9.823 -4.874 7.713 1.00 0.00 N ATOM 612 CA ASN A 63 8.944 -4.072 8.549 1.00 0.00 C ATOM 613 C ASN A 63 7.493 -4.458 8.301 1.00 0.00 C ATOM 614 O ASN A 63 6.851 -3.934 7.394 1.00 0.00 O ATOM 615 CB ASN A 63 9.141 -2.579 8.273 1.00 0.00 C ATOM 616 CG ASN A 63 10.502 -2.081 8.715 1.00 0.00 C ATOM 617 OD1 ASN A 63 10.675 -1.640 9.852 1.00 0.00 O ATOM 618 ND2 ASN A 63 11.478 -2.149 7.817 1.00 0.00 N ATOM 0 H ASN A 63 10.166 -4.398 6.879 1.00 0.00 H new ATOM 0 HA ASN A 63 9.194 -4.265 9.592 1.00 0.00 H new ATOM 0 HB2 ASN A 63 9.018 -2.391 7.206 1.00 0.00 H new ATOM 0 HB3 ASN A 63 8.366 -2.012 8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 63 12.416 -1.829 8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 63 11.290 -2.522 6.886 1.00 0.00 H new ATOM 625 N ASP A 64 6.994 -5.406 9.086 1.00 0.00 N ATOM 626 CA ASP A 64 5.613 -5.859 8.954 1.00 0.00 C ATOM 627 C ASP A 64 4.639 -4.693 9.107 1.00 0.00 C ATOM 628 O ASP A 64 4.254 -4.334 10.220 1.00 0.00 O ATOM 629 CB ASP A 64 5.307 -6.941 9.992 1.00 0.00 C ATOM 630 CG ASP A 64 5.798 -6.570 11.378 1.00 0.00 C ATOM 631 OD1 ASP A 64 6.979 -6.842 11.681 1.00 0.00 O ATOM 632 OD2 ASP A 64 5.003 -6.009 12.161 1.00 0.00 O ATOM 0 H ASP A 64 7.524 -5.876 9.820 1.00 0.00 H new ATOM 0 HA ASP A 64 5.488 -6.280 7.956 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.231 -7.115 10.025 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.772 -7.878 9.684 1.00 0.00 H new ATOM 637 N ILE A 65 4.250 -4.100 7.981 1.00 0.00 N ATOM 638 CA ILE A 65 3.321 -2.977 7.990 1.00 0.00 C ATOM 639 C ILE A 65 1.908 -3.438 7.647 1.00 0.00 C ATOM 640 O ILE A 65 1.648 -3.903 6.537 1.00 0.00 O ATOM 641 CB ILE A 65 3.740 -1.876 6.993 1.00 0.00 C ATOM 642 CG1 ILE A 65 5.160 -1.377 7.291 1.00 0.00 C ATOM 643 CG2 ILE A 65 2.753 -0.718 7.034 1.00 0.00 C ATOM 644 CD1 ILE A 65 5.331 -0.795 8.680 1.00 0.00 C ATOM 0 H ILE A 65 4.565 -4.380 7.052 1.00 0.00 H new ATOM 0 HA ILE A 65 3.341 -2.564 8.998 1.00 0.00 H new ATOM 0 HB ILE A 65 3.734 -2.306 5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 65 5.858 -2.205 7.167 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.430 -0.619 6.555 1.00 0.00 H new ATOM 0 HG21 ILE A 65 3.063 0.050 6.325 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.759 -1.078 6.768 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.729 -0.296 8.039 1.00 0.00 H new ATOM 0 HD11 ILE A 65 6.362 -0.465 8.812 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.660 0.055 8.804 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.095 -1.555 9.425 1.00 0.00 H new ATOM 656 N VAL A 66 1.002 -3.307 8.608 1.00 0.00 N ATOM 657 CA VAL A 66 -0.386 -3.703 8.411 1.00 0.00 C ATOM 658 C VAL A 66 -1.155 -2.610 7.675 1.00 0.00 C ATOM 659 O VAL A 66 -0.684 -1.478 7.564 1.00 0.00 O ATOM 660 CB VAL A 66 -1.075 -4.000 9.760 1.00 0.00 C ATOM 661 CG1 VAL A 66 -1.204 -2.731 10.587 1.00 0.00 C ATOM 662 CG2 VAL A 66 -2.435 -4.651 9.549 1.00 0.00 C ATOM 0 H VAL A 66 1.205 -2.929 9.533 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.389 -4.612 7.809 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.451 -4.704 10.310 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.692 -2.962 11.534 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.213 -2.320 10.780 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.800 -2.000 10.041 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -2.898 -4.849 10.516 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.073 -3.982 8.972 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.309 -5.589 9.008 1.00 0.00 H new ATOM 672 N GLY A 67 -2.333 -2.954 7.167 1.00 0.00 N ATOM 673 CA GLY A 67 -3.144 -1.985 6.454 1.00 0.00 C ATOM 674 C GLY A 67 -3.470 -0.772 7.305 1.00 0.00 C ATOM 675 O GLY A 67 -3.550 0.347 6.799 1.00 0.00 O ATOM 0 H GLY A 67 -2.741 -3.886 7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.618 -1.665 5.555 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.071 -2.458 6.129 1.00 0.00 H new ATOM 679 N ASP A 68 -3.656 -1.000 8.601 1.00 0.00 N ATOM 680 CA ASP A 68 -3.975 0.076 9.532 1.00 0.00 C ATOM 681 C ASP A 68 -2.730 0.888 9.880 1.00 0.00 C ATOM 682 O ASP A 68 -2.826 1.971 10.459 1.00 0.00 O ATOM 683 CB ASP A 68 -4.594 -0.499 10.809 1.00 0.00 C ATOM 684 CG ASP A 68 -4.989 0.579 11.799 1.00 0.00 C ATOM 685 OD1 ASP A 68 -6.114 1.111 11.680 1.00 0.00 O ATOM 686 OD2 ASP A 68 -4.176 0.892 12.693 1.00 0.00 O ATOM 0 H ASP A 68 -3.591 -1.923 9.031 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.693 0.739 9.049 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.473 -1.089 10.549 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.883 -1.177 11.280 1.00 0.00 H new ATOM 691 N LEU A 69 -1.564 0.362 9.519 1.00 0.00 N ATOM 692 CA LEU A 69 -0.300 1.033 9.802 1.00 0.00 C ATOM 693 C LEU A 69 0.215 1.773 8.569 1.00 0.00 C ATOM 694 O LEU A 69 1.149 2.571 8.659 1.00 0.00 O ATOM 695 CB LEU A 69 0.739 0.013 10.279 1.00 0.00 C ATOM 696 CG LEU A 69 2.053 0.603 10.790 1.00 0.00 C ATOM 697 CD1 LEU A 69 1.809 1.489 12.004 1.00 0.00 C ATOM 698 CD2 LEU A 69 3.037 -0.507 11.129 1.00 0.00 C ATOM 0 H LEU A 69 -1.468 -0.528 9.029 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.470 1.766 10.591 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.296 -0.586 11.075 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.961 -0.665 9.455 1.00 0.00 H new ATOM 0 HG LEU A 69 2.483 1.218 10.000 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.757 1.899 12.352 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.140 2.305 11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.355 0.899 12.800 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.968 -0.070 11.491 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.611 -1.147 11.902 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.238 -1.100 10.237 1.00 0.00 H new ATOM 710 N LEU A 70 -0.399 1.505 7.420 1.00 0.00 N ATOM 711 CA LEU A 70 -0.001 2.148 6.171 1.00 0.00 C ATOM 712 C LEU A 70 -0.195 3.668 6.235 1.00 0.00 C ATOM 713 O LEU A 70 0.706 4.420 5.866 1.00 0.00 O ATOM 714 CB LEU A 70 -0.784 1.565 4.989 1.00 0.00 C ATOM 715 CG LEU A 70 -0.412 0.130 4.601 1.00 0.00 C ATOM 716 CD1 LEU A 70 -1.327 -0.375 3.496 1.00 0.00 C ATOM 717 CD2 LEU A 70 1.041 0.055 4.155 1.00 0.00 C ATOM 0 H LEU A 70 -1.173 0.848 7.328 1.00 0.00 H new ATOM 0 HA LEU A 70 1.061 1.949 6.024 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.847 1.595 5.228 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.634 2.209 4.122 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.538 -0.505 5.478 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.050 -1.396 3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -2.360 -0.358 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.228 0.266 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.286 -0.972 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.191 0.704 3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.689 0.379 4.969 1.00 0.00 H new ATOM 729 N PRO A 71 -1.372 4.151 6.695 1.00 0.00 N ATOM 730 CA PRO A 71 -1.644 5.587 6.791 1.00 0.00 C ATOM 731 C PRO A 71 -1.105 6.206 8.079 1.00 0.00 C ATOM 732 O PRO A 71 -1.215 7.414 8.289 1.00 0.00 O ATOM 733 CB PRO A 71 -3.168 5.638 6.771 1.00 0.00 C ATOM 734 CG PRO A 71 -3.589 4.381 7.452 1.00 0.00 C ATOM 735 CD PRO A 71 -2.532 3.350 7.140 1.00 0.00 C ATOM 0 HA PRO A 71 -1.163 6.152 5.993 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.543 6.518 7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.551 5.685 5.752 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -3.677 4.533 8.528 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.566 4.055 7.095 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.290 2.749 8.016 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.863 2.661 6.363 1.00 0.00 H new ATOM 743 N GLU A 72 -0.525 5.374 8.939 1.00 0.00 N ATOM 744 CA GLU A 72 0.022 5.843 10.208 1.00 0.00 C ATOM 745 C GLU A 72 1.487 6.254 10.071 1.00 0.00 C ATOM 746 O GLU A 72 2.132 6.612 11.056 1.00 0.00 O ATOM 747 CB GLU A 72 -0.112 4.757 11.277 1.00 0.00 C ATOM 748 CG GLU A 72 -1.552 4.457 11.662 1.00 0.00 C ATOM 749 CD GLU A 72 -2.259 5.658 12.260 1.00 0.00 C ATOM 750 OE1 GLU A 72 -2.799 6.474 11.485 1.00 0.00 O ATOM 751 OE2 GLU A 72 -2.274 5.780 13.502 1.00 0.00 O ATOM 0 H GLU A 72 -0.422 4.372 8.780 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.550 6.721 10.508 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.357 3.842 10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 72 0.437 5.065 12.167 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.097 4.121 10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.569 3.636 12.379 1.00 0.00 H new ATOM 758 N LEU A 73 2.009 6.203 8.849 1.00 0.00 N ATOM 759 CA LEU A 73 3.399 6.573 8.600 1.00 0.00 C ATOM 760 C LEU A 73 3.490 7.715 7.593 1.00 0.00 C ATOM 761 O LEU A 73 2.698 7.794 6.654 1.00 0.00 O ATOM 762 CB LEU A 73 4.192 5.360 8.103 1.00 0.00 C ATOM 763 CG LEU A 73 3.679 4.731 6.806 1.00 0.00 C ATOM 764 CD1 LEU A 73 4.385 5.334 5.601 1.00 0.00 C ATOM 765 CD2 LEU A 73 3.867 3.222 6.837 1.00 0.00 C ATOM 0 H LEU A 73 1.493 5.910 8.019 1.00 0.00 H new ATOM 0 HA LEU A 73 3.832 6.915 9.540 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.230 5.660 7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.187 4.599 8.883 1.00 0.00 H new ATOM 0 HG LEU A 73 2.614 4.944 6.718 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.006 4.873 4.689 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.199 6.407 5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.457 5.154 5.680 1.00 0.00 H new ATOM 0 HD21 LEU A 73 3.497 2.790 5.907 1.00 0.00 H new ATOM 0 HD22 LEU A 73 4.926 2.990 6.949 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.313 2.803 7.677 1.00 0.00 H new ATOM 777 N CYS A 74 4.463 8.600 7.798 1.00 0.00 N ATOM 778 CA CYS A 74 4.662 9.743 6.911 1.00 0.00 C ATOM 779 C CYS A 74 5.464 9.344 5.676 1.00 0.00 C ATOM 780 O CYS A 74 5.742 8.164 5.459 1.00 0.00 O ATOM 781 CB CYS A 74 5.378 10.872 7.653 1.00 0.00 C ATOM 782 SG CYS A 74 4.486 11.486 9.101 1.00 0.00 S ATOM 0 H CYS A 74 5.126 8.547 8.571 1.00 0.00 H new ATOM 0 HA CYS A 74 3.682 10.093 6.587 1.00 0.00 H new ATOM 0 HB2 CYS A 74 6.361 10.520 7.967 1.00 0.00 H new ATOM 0 HB3 CYS A 74 5.542 11.699 6.963 1.00 0.00 H new ATOM 0 HG CYS A 74 5.172 12.437 9.662 1.00 0.00 H new ATOM 788 N LEU A 75 5.833 10.337 4.871 1.00 0.00 N ATOM 789 CA LEU A 75 6.603 10.088 3.658 1.00 0.00 C ATOM 790 C LEU A 75 8.058 9.774 3.984 1.00 0.00 C ATOM 791 O LEU A 75 8.783 9.222 3.159 1.00 0.00 O ATOM 792 CB LEU A 75 6.527 11.292 2.712 1.00 0.00 C ATOM 793 CG LEU A 75 5.252 11.386 1.867 1.00 0.00 C ATOM 794 CD1 LEU A 75 5.164 10.216 0.898 1.00 0.00 C ATOM 795 CD2 LEU A 75 4.017 11.436 2.754 1.00 0.00 C ATOM 0 H LEU A 75 5.611 11.319 5.037 1.00 0.00 H new ATOM 0 HA LEU A 75 6.167 9.221 3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.618 12.203 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.385 11.260 2.041 1.00 0.00 H new ATOM 0 HG LEU A 75 5.296 12.310 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.252 10.301 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.029 10.227 0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.148 9.281 1.457 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.125 11.503 2.132 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.969 10.533 3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.071 12.309 3.405 1.00 0.00 H new ATOM 807 N GLN A 76 8.482 10.132 5.192 1.00 0.00 N ATOM 808 CA GLN A 76 9.852 9.881 5.624 1.00 0.00 C ATOM 809 C GLN A 76 10.122 8.384 5.726 1.00 0.00 C ATOM 810 O GLN A 76 11.201 7.909 5.367 1.00 0.00 O ATOM 811 CB GLN A 76 10.115 10.555 6.971 1.00 0.00 C ATOM 812 CG GLN A 76 10.198 12.071 6.889 1.00 0.00 C ATOM 813 CD GLN A 76 11.351 12.546 6.025 1.00 0.00 C ATOM 814 OE1 GLN A 76 11.276 13.602 5.396 1.00 0.00 O ATOM 815 NE2 GLN A 76 12.430 11.771 5.994 1.00 0.00 N ATOM 0 H GLN A 76 7.898 10.596 5.888 1.00 0.00 H new ATOM 0 HA GLN A 76 10.527 10.303 4.879 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.321 10.280 7.666 1.00 0.00 H new ATOM 0 HB3 GLN A 76 11.048 10.171 7.384 1.00 0.00 H new ATOM 0 HG2 GLN A 76 9.263 12.461 6.487 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.309 12.480 7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.451 10.904 6.530 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.238 12.043 5.434 1.00 0.00 H new ATOM 824 N ASP A 77 9.133 7.645 6.216 1.00 0.00 N ATOM 825 CA ASP A 77 9.257 6.200 6.369 1.00 0.00 C ATOM 826 C ASP A 77 9.338 5.512 5.009 1.00 0.00 C ATOM 827 O ASP A 77 10.327 4.851 4.697 1.00 0.00 O ATOM 828 CB ASP A 77 8.070 5.648 7.158 1.00 0.00 C ATOM 829 CG ASP A 77 8.199 4.163 7.434 1.00 0.00 C ATOM 830 OD1 ASP A 77 8.904 3.797 8.397 1.00 0.00 O ATOM 831 OD2 ASP A 77 7.596 3.366 6.684 1.00 0.00 O ATOM 0 H ASP A 77 8.234 8.024 6.515 1.00 0.00 H new ATOM 0 HA ASP A 77 10.178 5.996 6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 77 7.985 6.184 8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 77 7.151 5.833 6.603 1.00 0.00 H new ATOM 836 N CYS A 78 8.287 5.674 4.208 1.00 0.00 N ATOM 837 CA CYS A 78 8.229 5.066 2.881 1.00 0.00 C ATOM 838 C CYS A 78 9.474 5.401 2.067 1.00 0.00 C ATOM 839 O CYS A 78 10.053 4.531 1.416 1.00 0.00 O ATOM 840 CB CYS A 78 6.979 5.535 2.138 1.00 0.00 C ATOM 841 SG CYS A 78 6.918 7.313 1.842 1.00 0.00 S ATOM 0 H CYS A 78 7.463 6.222 4.455 1.00 0.00 H new ATOM 0 HA CYS A 78 8.185 3.984 3.009 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.923 5.017 1.181 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.099 5.243 2.711 1.00 0.00 H new ATOM 0 HG CYS A 78 7.798 7.908 2.592 1.00 0.00 H new ATOM 847 N GLN A 79 9.877 6.668 2.104 1.00 0.00 N ATOM 848 CA GLN A 79 11.058 7.112 1.373 1.00 0.00 C ATOM 849 C GLN A 79 12.276 6.284 1.771 1.00 0.00 C ATOM 850 O GLN A 79 13.071 5.881 0.921 1.00 0.00 O ATOM 851 CB GLN A 79 11.324 8.597 1.629 1.00 0.00 C ATOM 852 CG GLN A 79 12.432 9.172 0.762 1.00 0.00 C ATOM 853 CD GLN A 79 12.644 10.656 0.992 1.00 0.00 C ATOM 854 OE1 GLN A 79 12.420 11.165 2.090 1.00 0.00 O ATOM 855 NE2 GLN A 79 13.078 11.359 -0.049 1.00 0.00 N ATOM 0 H GLN A 79 9.404 7.403 2.631 1.00 0.00 H new ATOM 0 HA GLN A 79 10.872 6.971 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 79 10.407 9.158 1.452 1.00 0.00 H new ATOM 0 HB3 GLN A 79 11.585 8.736 2.678 1.00 0.00 H new ATOM 0 HG2 GLN A 79 13.361 8.640 0.967 1.00 0.00 H new ATOM 0 HG3 GLN A 79 12.192 9.002 -0.288 1.00 0.00 H new ATOM 0 HE21 GLN A 79 13.251 10.896 -0.941 1.00 0.00 H new ATOM 0 HE22 GLN A 79 13.238 12.362 0.044 1.00 0.00 H new ATOM 864 N ASP A 80 12.416 6.035 3.071 1.00 0.00 N ATOM 865 CA ASP A 80 13.527 5.244 3.585 1.00 0.00 C ATOM 866 C ASP A 80 13.417 3.796 3.116 1.00 0.00 C ATOM 867 O ASP A 80 14.416 3.081 3.027 1.00 0.00 O ATOM 868 CB ASP A 80 13.553 5.295 5.113 1.00 0.00 C ATOM 869 CG ASP A 80 14.719 4.523 5.700 1.00 0.00 C ATOM 870 OD1 ASP A 80 14.568 3.305 5.933 1.00 0.00 O ATOM 871 OD2 ASP A 80 15.783 5.138 5.930 1.00 0.00 O ATOM 0 H ASP A 80 11.772 6.371 3.787 1.00 0.00 H new ATOM 0 HA ASP A 80 14.455 5.667 3.200 1.00 0.00 H new ATOM 0 HB2 ASP A 80 13.609 6.334 5.438 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.620 4.889 5.503 1.00 0.00 H new ATOM 876 N LEU A 81 12.193 3.375 2.820 1.00 0.00 N ATOM 877 CA LEU A 81 11.937 2.015 2.359 1.00 0.00 C ATOM 878 C LEU A 81 12.215 1.888 0.866 1.00 0.00 C ATOM 879 O LEU A 81 12.293 0.782 0.329 1.00 0.00 O ATOM 880 CB LEU A 81 10.489 1.620 2.660 1.00 0.00 C ATOM 881 CG LEU A 81 10.101 1.675 4.137 1.00 0.00 C ATOM 882 CD1 LEU A 81 8.601 1.485 4.305 1.00 0.00 C ATOM 883 CD2 LEU A 81 10.863 0.622 4.927 1.00 0.00 C ATOM 0 H LEU A 81 11.359 3.958 2.891 1.00 0.00 H new ATOM 0 HA LEU A 81 12.608 1.341 2.892 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.824 2.278 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.320 0.608 2.292 1.00 0.00 H new ATOM 0 HG LEU A 81 10.367 2.658 4.525 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.345 1.527 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.072 2.275 3.772 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.309 0.516 3.900 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.575 0.675 5.977 1.00 0.00 H new ATOM 0 HD22 LEU A 81 10.627 -0.368 4.536 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.934 0.803 4.835 1.00 0.00 H new ATOM 895 N CYS A 82 12.363 3.030 0.203 1.00 0.00 N ATOM 896 CA CYS A 82 12.630 3.055 -1.230 1.00 0.00 C ATOM 897 C CYS A 82 14.116 3.264 -1.504 1.00 0.00 C ATOM 898 O CYS A 82 14.895 3.524 -0.587 1.00 0.00 O ATOM 899 CB CYS A 82 11.821 4.168 -1.898 1.00 0.00 C ATOM 900 SG CYS A 82 10.032 4.009 -1.690 1.00 0.00 S ATOM 0 H CYS A 82 12.302 3.951 0.636 1.00 0.00 H new ATOM 0 HA CYS A 82 12.332 2.093 -1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 82 12.139 5.128 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 82 12.052 4.181 -2.963 1.00 0.00 H new ATOM 0 HG CYS A 82 9.723 4.183 -0.439 1.00 0.00 H new ATOM 906 N ASP A 83 14.502 3.148 -2.772 1.00 0.00 N ATOM 907 CA ASP A 83 15.896 3.323 -3.167 1.00 0.00 C ATOM 908 C ASP A 83 16.361 4.752 -2.904 1.00 0.00 C ATOM 909 O ASP A 83 17.560 5.019 -2.827 1.00 0.00 O ATOM 910 CB ASP A 83 16.077 2.980 -4.647 1.00 0.00 C ATOM 911 CG ASP A 83 15.223 3.846 -5.552 1.00 0.00 C ATOM 912 OD1 ASP A 83 14.044 3.497 -5.769 1.00 0.00 O ATOM 913 OD2 ASP A 83 15.735 4.873 -6.046 1.00 0.00 O ATOM 0 H ASP A 83 13.869 2.934 -3.543 1.00 0.00 H new ATOM 0 HA ASP A 83 16.504 2.646 -2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.126 3.100 -4.919 1.00 0.00 H new ATOM 0 HB3 ASP A 83 15.824 1.932 -4.807 1.00 0.00 H new ATOM 918 N GLY A 84 15.404 5.664 -2.767 1.00 0.00 N ATOM 919 CA GLY A 84 15.734 7.054 -2.515 1.00 0.00 C ATOM 920 C GLY A 84 14.894 8.007 -3.341 1.00 0.00 C ATOM 921 O GLY A 84 14.760 9.183 -3.002 1.00 0.00 O ATOM 0 H GLY A 84 14.405 5.465 -2.826 1.00 0.00 H new ATOM 0 HA2 GLY A 84 15.591 7.272 -1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.789 7.220 -2.735 1.00 0.00 H new ATOM 925 N ASP A 85 14.328 7.496 -4.430 1.00 0.00 N ATOM 926 CA ASP A 85 13.495 8.304 -5.311 1.00 0.00 C ATOM 927 C ASP A 85 12.236 8.769 -4.585 1.00 0.00 C ATOM 928 O ASP A 85 11.360 7.967 -4.263 1.00 0.00 O ATOM 929 CB ASP A 85 13.119 7.503 -6.561 1.00 0.00 C ATOM 930 CG ASP A 85 12.337 8.327 -7.565 1.00 0.00 C ATOM 931 OD1 ASP A 85 12.921 9.266 -8.146 1.00 0.00 O ATOM 932 OD2 ASP A 85 11.141 8.034 -7.770 1.00 0.00 O ATOM 0 H ASP A 85 14.432 6.525 -4.723 1.00 0.00 H new ATOM 0 HA ASP A 85 14.063 9.184 -5.612 1.00 0.00 H new ATOM 0 HB2 ASP A 85 14.026 7.126 -7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 85 12.527 6.635 -6.268 1.00 0.00 H new ATOM 937 N LEU A 86 12.158 10.071 -4.326 1.00 0.00 N ATOM 938 CA LEU A 86 11.013 10.651 -3.632 1.00 0.00 C ATOM 939 C LEU A 86 9.718 10.409 -4.404 1.00 0.00 C ATOM 940 O LEU A 86 8.693 10.061 -3.816 1.00 0.00 O ATOM 941 CB LEU A 86 11.223 12.154 -3.431 1.00 0.00 C ATOM 942 CG LEU A 86 10.091 12.878 -2.697 1.00 0.00 C ATOM 943 CD1 LEU A 86 10.004 12.412 -1.252 1.00 0.00 C ATOM 944 CD2 LEU A 86 10.293 14.384 -2.763 1.00 0.00 C ATOM 0 H LEU A 86 12.877 10.746 -4.587 1.00 0.00 H new ATOM 0 HA LEU A 86 10.929 10.164 -2.660 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.149 12.304 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.358 12.620 -4.407 1.00 0.00 H new ATOM 0 HG LEU A 86 9.150 12.634 -3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.193 12.939 -0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.811 11.340 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.945 12.624 -0.744 1.00 0.00 H new ATOM 0 HD21 LEU A 86 9.480 14.884 -2.237 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.242 14.645 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 86 10.302 14.705 -3.805 1.00 0.00 H new ATOM 956 N ASN A 87 9.775 10.596 -5.720 1.00 0.00 N ATOM 957 CA ASN A 87 8.608 10.404 -6.577 1.00 0.00 C ATOM 958 C ASN A 87 7.948 9.053 -6.325 1.00 0.00 C ATOM 959 O ASN A 87 6.724 8.957 -6.227 1.00 0.00 O ATOM 960 CB ASN A 87 9.008 10.515 -8.049 1.00 0.00 C ATOM 961 CG ASN A 87 9.372 11.933 -8.445 1.00 0.00 C ATOM 962 OD1 ASN A 87 8.516 12.712 -8.866 1.00 0.00 O ATOM 963 ND2 ASN A 87 10.648 12.277 -8.310 1.00 0.00 N ATOM 0 H ASN A 87 10.619 10.881 -6.217 1.00 0.00 H new ATOM 0 HA ASN A 87 7.888 11.186 -6.336 1.00 0.00 H new ATOM 0 HB2 ASN A 87 9.856 9.858 -8.243 1.00 0.00 H new ATOM 0 HB3 ASN A 87 8.185 10.166 -8.673 1.00 0.00 H new ATOM 0 HD21 ASN A 87 10.952 13.218 -8.559 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.324 11.600 -7.957 1.00 0.00 H new ATOM 970 N LYS A 88 8.767 8.014 -6.221 1.00 0.00 N ATOM 971 CA LYS A 88 8.270 6.664 -5.985 1.00 0.00 C ATOM 972 C LYS A 88 7.464 6.597 -4.690 1.00 0.00 C ATOM 973 O LYS A 88 6.420 5.944 -4.627 1.00 0.00 O ATOM 974 CB LYS A 88 9.441 5.683 -5.923 1.00 0.00 C ATOM 975 CG LYS A 88 9.049 4.235 -6.174 1.00 0.00 C ATOM 976 CD LYS A 88 9.635 3.724 -7.482 1.00 0.00 C ATOM 977 CE LYS A 88 9.335 2.248 -7.698 1.00 0.00 C ATOM 978 NZ LYS A 88 10.082 1.695 -8.861 1.00 0.00 N ATOM 0 H LYS A 88 9.782 8.081 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 88 7.613 6.391 -6.810 1.00 0.00 H new ATOM 0 HB2 LYS A 88 10.189 5.979 -6.659 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.912 5.757 -4.943 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.397 3.613 -5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.963 4.149 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.230 4.302 -8.312 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.714 3.879 -7.482 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.596 1.689 -6.799 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.265 2.114 -7.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.540 0.913 -9.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.220 2.442 -9.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.008 1.343 -8.544 1.00 0.00 H new ATOM 992 N ALA A 89 7.952 7.284 -3.661 1.00 0.00 N ATOM 993 CA ALA A 89 7.285 7.300 -2.364 1.00 0.00 C ATOM 994 C ALA A 89 5.945 8.025 -2.435 1.00 0.00 C ATOM 995 O ALA A 89 4.983 7.632 -1.774 1.00 0.00 O ATOM 996 CB ALA A 89 8.181 7.943 -1.316 1.00 0.00 C ATOM 0 H ALA A 89 8.808 7.837 -3.701 1.00 0.00 H new ATOM 0 HA ALA A 89 7.090 6.267 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.670 7.948 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 89 9.108 7.375 -1.232 1.00 0.00 H new ATOM 0 HB3 ALA A 89 8.409 8.967 -1.611 1.00 0.00 H new ATOM 1002 N ILE A 90 5.888 9.084 -3.236 1.00 0.00 N ATOM 1003 CA ILE A 90 4.663 9.862 -3.389 1.00 0.00 C ATOM 1004 C ILE A 90 3.523 8.992 -3.912 1.00 0.00 C ATOM 1005 O ILE A 90 2.427 8.987 -3.352 1.00 0.00 O ATOM 1006 CB ILE A 90 4.870 11.057 -4.341 1.00 0.00 C ATOM 1007 CG1 ILE A 90 5.990 11.960 -3.819 1.00 0.00 C ATOM 1008 CG2 ILE A 90 3.574 11.843 -4.499 1.00 0.00 C ATOM 1009 CD1 ILE A 90 6.394 13.049 -4.790 1.00 0.00 C ATOM 0 H ILE A 90 6.675 9.423 -3.789 1.00 0.00 H new ATOM 0 HA ILE A 90 4.401 10.241 -2.401 1.00 0.00 H new ATOM 0 HB ILE A 90 5.160 10.678 -5.321 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.669 12.419 -2.884 1.00 0.00 H new ATOM 0 HG13 ILE A 90 6.862 11.347 -3.590 1.00 0.00 H new ATOM 0 HG21 ILE A 90 3.738 12.683 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 90 2.802 11.193 -4.910 1.00 0.00 H new ATOM 0 HG23 ILE A 90 3.254 12.216 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 90 7.192 13.649 -4.352 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.747 12.597 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.535 13.686 -5.000 1.00 0.00 H new ATOM 1021 N LYS A 91 3.791 8.260 -4.989 1.00 0.00 N ATOM 1022 CA LYS A 91 2.789 7.384 -5.587 1.00 0.00 C ATOM 1023 C LYS A 91 2.350 6.310 -4.597 1.00 0.00 C ATOM 1024 O LYS A 91 1.181 5.928 -4.556 1.00 0.00 O ATOM 1025 CB LYS A 91 3.348 6.734 -6.854 1.00 0.00 C ATOM 1026 CG LYS A 91 3.668 7.731 -7.958 1.00 0.00 C ATOM 1027 CD LYS A 91 2.405 8.277 -8.606 1.00 0.00 C ATOM 1028 CE LYS A 91 1.728 7.233 -9.481 1.00 0.00 C ATOM 1029 NZ LYS A 91 0.489 7.758 -10.119 1.00 0.00 N ATOM 0 H LYS A 91 4.693 8.256 -5.465 1.00 0.00 H new ATOM 0 HA LYS A 91 1.919 7.986 -5.850 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.253 6.182 -6.600 1.00 0.00 H new ATOM 0 HB3 LYS A 91 2.626 6.008 -7.229 1.00 0.00 H new ATOM 0 HG2 LYS A 91 4.251 8.555 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.287 7.249 -8.715 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.713 8.608 -7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.653 9.151 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.422 6.903 -10.254 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.483 6.359 -8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.059 7.015 -10.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.184 8.050 -9.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.726 8.577 -10.715 1.00 0.00 H new ATOM 1043 N PHE A 92 3.300 5.829 -3.801 1.00 0.00 N ATOM 1044 CA PHE A 92 3.025 4.803 -2.801 1.00 0.00 C ATOM 1045 C PHE A 92 1.950 5.270 -1.819 1.00 0.00 C ATOM 1046 O PHE A 92 0.880 4.664 -1.714 1.00 0.00 O ATOM 1047 CB PHE A 92 4.321 4.455 -2.059 1.00 0.00 C ATOM 1048 CG PHE A 92 4.156 3.464 -0.939 1.00 0.00 C ATOM 1049 CD1 PHE A 92 3.602 2.213 -1.168 1.00 0.00 C ATOM 1050 CD2 PHE A 92 4.570 3.782 0.344 1.00 0.00 C ATOM 1051 CE1 PHE A 92 3.462 1.302 -0.137 1.00 0.00 C ATOM 1052 CE2 PHE A 92 4.434 2.875 1.379 1.00 0.00 C ATOM 1053 CZ PHE A 92 3.879 1.633 1.137 1.00 0.00 C ATOM 0 H PHE A 92 4.272 6.136 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 92 2.648 3.912 -3.303 1.00 0.00 H new ATOM 0 HB2 PHE A 92 5.039 4.056 -2.776 1.00 0.00 H new ATOM 0 HB3 PHE A 92 4.750 5.372 -1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.276 1.947 -2.163 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.005 4.751 0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.027 0.332 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.761 3.137 2.374 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.772 0.922 1.943 1.00 0.00 H new ATOM 1063 N LYS A 93 2.240 6.356 -1.109 1.00 0.00 N ATOM 1064 CA LYS A 93 1.307 6.910 -0.132 1.00 0.00 C ATOM 1065 C LYS A 93 -0.044 7.221 -0.773 1.00 0.00 C ATOM 1066 O LYS A 93 -1.092 7.006 -0.163 1.00 0.00 O ATOM 1067 CB LYS A 93 1.899 8.176 0.497 1.00 0.00 C ATOM 1068 CG LYS A 93 1.020 8.803 1.571 1.00 0.00 C ATOM 1069 CD LYS A 93 0.079 9.848 0.991 1.00 0.00 C ATOM 1070 CE LYS A 93 -0.787 10.479 2.068 1.00 0.00 C ATOM 1071 NZ LYS A 93 0.027 11.218 3.073 1.00 0.00 N ATOM 0 H LYS A 93 3.116 6.872 -1.192 1.00 0.00 H new ATOM 0 HA LYS A 93 1.146 6.164 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 93 2.869 7.934 0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 93 2.076 8.911 -0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 93 0.439 8.025 2.065 1.00 0.00 H new ATOM 0 HG3 LYS A 93 1.649 9.263 2.333 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.659 10.623 0.489 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -0.557 9.387 0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.501 11.161 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.366 9.703 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.597 11.811 3.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.528 10.539 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.719 11.821 2.584 1.00 0.00 H new ATOM 1085 N ILE A 94 -0.013 7.726 -2.003 1.00 0.00 N ATOM 1086 CA ILE A 94 -1.236 8.071 -2.719 1.00 0.00 C ATOM 1087 C ILE A 94 -2.152 6.862 -2.884 1.00 0.00 C ATOM 1088 O ILE A 94 -3.256 6.833 -2.342 1.00 0.00 O ATOM 1089 CB ILE A 94 -0.930 8.658 -4.113 1.00 0.00 C ATOM 1090 CG1 ILE A 94 -0.413 10.094 -3.983 1.00 0.00 C ATOM 1091 CG2 ILE A 94 -2.172 8.605 -4.993 1.00 0.00 C ATOM 1092 CD1 ILE A 94 0.090 10.680 -5.285 1.00 0.00 C ATOM 0 H ILE A 94 0.845 7.905 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 94 -1.743 8.824 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.152 8.057 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.213 10.725 -3.596 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.393 10.116 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.941 9.022 -5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.494 7.570 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -2.971 9.185 -4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.440 11.698 -5.115 1.00 0.00 H new ATOM 0 HD12 ILE A 94 0.912 10.073 -5.664 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.719 10.692 -6.015 1.00 0.00 H new ATOM 1104 N LEU A 95 -1.689 5.877 -3.651 1.00 0.00 N ATOM 1105 CA LEU A 95 -2.464 4.667 -3.903 1.00 0.00 C ATOM 1106 C LEU A 95 -3.074 4.130 -2.616 1.00 0.00 C ATOM 1107 O LEU A 95 -4.168 3.564 -2.624 1.00 0.00 O ATOM 1108 CB LEU A 95 -1.576 3.598 -4.545 1.00 0.00 C ATOM 1109 CG LEU A 95 -0.942 4.002 -5.876 1.00 0.00 C ATOM 1110 CD1 LEU A 95 0.140 3.011 -6.272 1.00 0.00 C ATOM 1111 CD2 LEU A 95 -2.001 4.100 -6.963 1.00 0.00 C ATOM 0 H LEU A 95 -0.778 5.895 -4.109 1.00 0.00 H new ATOM 0 HA LEU A 95 -3.275 4.920 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.782 3.338 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.171 2.698 -4.701 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.482 4.983 -5.756 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.581 3.314 -7.222 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.913 2.990 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -0.297 2.018 -6.375 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -1.532 4.389 -7.903 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -2.490 3.133 -7.083 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.742 4.849 -6.683 1.00 0.00 H new ATOM 1123 N ILE A 96 -2.363 4.317 -1.511 1.00 0.00 N ATOM 1124 CA ILE A 96 -2.840 3.851 -0.218 1.00 0.00 C ATOM 1125 C ILE A 96 -3.993 4.709 0.300 1.00 0.00 C ATOM 1126 O ILE A 96 -4.960 4.189 0.856 1.00 0.00 O ATOM 1127 CB ILE A 96 -1.701 3.836 0.819 1.00 0.00 C ATOM 1128 CG1 ILE A 96 -0.596 2.884 0.362 1.00 0.00 C ATOM 1129 CG2 ILE A 96 -2.227 3.429 2.190 1.00 0.00 C ATOM 1130 CD1 ILE A 96 0.704 3.057 1.114 1.00 0.00 C ATOM 0 H ILE A 96 -1.458 4.786 -1.485 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.204 2.834 -0.362 1.00 0.00 H new ATOM 0 HB ILE A 96 -1.288 4.841 0.902 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.941 1.857 0.482 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -0.413 3.037 -0.702 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.407 3.425 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.988 4.139 2.513 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.663 2.432 2.131 1.00 0.00 H new ATOM 0 HD11 ILE A 96 1.440 2.348 0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.073 4.073 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.537 2.875 2.176 1.00 0.00 H new ATOM 1142 N ASN A 97 -3.885 6.021 0.117 1.00 0.00 N ATOM 1143 CA ASN A 97 -4.923 6.942 0.568 1.00 0.00 C ATOM 1144 C ASN A 97 -6.250 6.650 -0.126 1.00 0.00 C ATOM 1145 O ASN A 97 -7.297 6.582 0.521 1.00 0.00 O ATOM 1146 CB ASN A 97 -4.502 8.388 0.304 1.00 0.00 C ATOM 1147 CG ASN A 97 -5.533 9.389 0.790 1.00 0.00 C ATOM 1148 OD1 ASN A 97 -6.250 9.138 1.760 1.00 0.00 O ATOM 1149 ND2 ASN A 97 -5.613 10.531 0.118 1.00 0.00 N ATOM 0 H ASN A 97 -3.091 6.470 -0.339 1.00 0.00 H new ATOM 0 HA ASN A 97 -5.057 6.801 1.641 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.550 8.582 0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -4.340 8.527 -0.765 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -6.288 11.242 0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.999 10.697 -0.680 1.00 0.00 H new ATOM 1156 N LYS A 98 -6.202 6.478 -1.443 1.00 0.00 N ATOM 1157 CA LYS A 98 -7.402 6.192 -2.222 1.00 0.00 C ATOM 1158 C LYS A 98 -8.068 4.906 -1.747 1.00 0.00 C ATOM 1159 O LYS A 98 -9.268 4.883 -1.469 1.00 0.00 O ATOM 1160 CB LYS A 98 -7.061 6.083 -3.711 1.00 0.00 C ATOM 1161 CG LYS A 98 -6.951 7.426 -4.418 1.00 0.00 C ATOM 1162 CD LYS A 98 -5.789 8.250 -3.884 1.00 0.00 C ATOM 1163 CE LYS A 98 -5.692 9.595 -4.585 1.00 0.00 C ATOM 1164 NZ LYS A 98 -6.945 10.388 -4.445 1.00 0.00 N ATOM 0 H LYS A 98 -5.345 6.532 -1.994 1.00 0.00 H new ATOM 0 HA LYS A 98 -8.100 7.017 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -6.118 5.548 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -7.826 5.484 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -6.821 7.264 -5.488 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -7.880 7.982 -4.290 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.914 8.405 -2.812 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.858 7.699 -4.020 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.857 10.160 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.478 9.438 -5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -6.723 11.402 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -7.605 10.132 -5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -7.383 10.185 -3.524 1.00 0.00 H new ATOM 1178 N MET A 99 -7.282 3.836 -1.655 1.00 0.00 N ATOM 1179 CA MET A 99 -7.797 2.544 -1.212 1.00 0.00 C ATOM 1180 C MET A 99 -8.374 2.647 0.197 1.00 0.00 C ATOM 1181 O MET A 99 -9.314 1.933 0.547 1.00 0.00 O ATOM 1182 CB MET A 99 -6.688 1.489 -1.255 1.00 0.00 C ATOM 1183 CG MET A 99 -7.177 0.069 -1.011 1.00 0.00 C ATOM 1184 SD MET A 99 -7.377 -0.316 0.741 1.00 0.00 S ATOM 1185 CE MET A 99 -5.689 -0.152 1.322 1.00 0.00 C ATOM 0 H MET A 99 -6.287 3.838 -1.881 1.00 0.00 H new ATOM 0 HA MET A 99 -8.596 2.242 -1.889 1.00 0.00 H new ATOM 0 HB2 MET A 99 -6.197 1.532 -2.227 1.00 0.00 H new ATOM 0 HB3 MET A 99 -5.935 1.737 -0.507 1.00 0.00 H new ATOM 0 HG2 MET A 99 -8.130 -0.074 -1.520 1.00 0.00 H new ATOM 0 HG3 MET A 99 -6.471 -0.634 -1.454 1.00 0.00 H new ATOM 0 HE1 MET A 99 -5.542 -0.785 2.197 1.00 0.00 H new ATOM 0 HE2 MET A 99 -5.001 -0.457 0.533 1.00 0.00 H new ATOM 0 HE3 MET A 99 -5.496 0.887 1.590 1.00 0.00 H new ATOM 1195 N ARG A 100 -7.806 3.543 0.998 1.00 0.00 N ATOM 1196 CA ARG A 100 -8.262 3.741 2.369 1.00 0.00 C ATOM 1197 C ARG A 100 -9.721 4.189 2.402 1.00 0.00 C ATOM 1198 O ARG A 100 -10.543 3.604 3.106 1.00 0.00 O ATOM 1199 CB ARG A 100 -7.391 4.780 3.078 1.00 0.00 C ATOM 1200 CG ARG A 100 -7.718 4.945 4.553 1.00 0.00 C ATOM 1201 CD ARG A 100 -7.282 6.305 5.074 1.00 0.00 C ATOM 1202 NE ARG A 100 -5.866 6.563 4.826 1.00 0.00 N ATOM 1203 CZ ARG A 100 -5.290 7.748 5.009 1.00 0.00 C ATOM 1204 NH1 ARG A 100 -6.007 8.778 5.438 1.00 0.00 N ATOM 1205 NH2 ARG A 100 -3.997 7.904 4.765 1.00 0.00 N ATOM 0 H ARG A 100 -7.029 4.143 0.721 1.00 0.00 H new ATOM 0 HA ARG A 100 -8.178 2.786 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -6.344 4.494 2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -7.509 5.742 2.579 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -8.791 4.824 4.704 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -7.224 4.160 5.126 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -7.880 7.083 4.599 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -7.478 6.362 6.145 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.287 5.792 4.494 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.002 8.662 5.628 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -5.563 9.686 5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.441 7.115 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.558 8.814 4.906 1.00 0.00 H new ATOM 1219 N ASP A 101 -10.034 5.229 1.634 1.00 0.00 N ATOM 1220 CA ASP A 101 -11.393 5.758 1.584 1.00 0.00 C ATOM 1221 C ASP A 101 -12.328 4.811 0.838 1.00 0.00 C ATOM 1222 O ASP A 101 -13.169 4.150 1.448 1.00 0.00 O ATOM 1223 CB ASP A 101 -11.404 7.133 0.913 1.00 0.00 C ATOM 1224 CG ASP A 101 -10.530 8.139 1.638 1.00 0.00 C ATOM 1225 OD1 ASP A 101 -11.031 8.794 2.576 1.00 0.00 O ATOM 1226 OD2 ASP A 101 -9.345 8.273 1.265 1.00 0.00 O ATOM 0 H ASP A 101 -9.367 5.721 1.039 1.00 0.00 H new ATOM 0 HA ASP A 101 -11.750 5.855 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -11.061 7.034 -0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -12.427 7.507 0.874 1.00 0.00 H new ATOM 1231 N SER A 102 -12.168 4.739 -0.482 1.00 0.00 N ATOM 1232 CA SER A 102 -13.005 3.873 -1.309 1.00 0.00 C ATOM 1233 C SER A 102 -12.390 3.673 -2.690 1.00 0.00 C ATOM 1234 O SER A 102 -11.370 4.277 -3.022 1.00 0.00 O ATOM 1235 CB SER A 102 -14.409 4.465 -1.454 1.00 0.00 C ATOM 1236 OG SER A 102 -15.084 4.503 -0.209 1.00 0.00 O ATOM 0 H SER A 102 -11.468 5.269 -1.001 1.00 0.00 H new ATOM 0 HA SER A 102 -13.072 2.905 -0.813 1.00 0.00 H new ATOM 0 HB2 SER A 102 -14.340 5.473 -1.863 1.00 0.00 H new ATOM 0 HB3 SER A 102 -14.985 3.871 -2.164 1.00 0.00 H new ATOM 0 HG SER A 102 -14.554 4.029 0.465 1.00 0.00 H new ATOM 1242 N LYS A 103 -13.023 2.821 -3.491 1.00 0.00 N ATOM 1243 CA LYS A 103 -12.549 2.536 -4.841 1.00 0.00 C ATOM 1244 C LYS A 103 -13.449 3.195 -5.880 1.00 0.00 C ATOM 1245 O LYS A 103 -14.567 2.742 -6.124 1.00 0.00 O ATOM 1246 CB LYS A 103 -12.507 1.025 -5.078 1.00 0.00 C ATOM 1247 CG LYS A 103 -11.581 0.283 -4.125 1.00 0.00 C ATOM 1248 CD LYS A 103 -11.632 -1.220 -4.351 1.00 0.00 C ATOM 1249 CE LYS A 103 -11.047 -1.606 -5.701 1.00 0.00 C ATOM 1250 NZ LYS A 103 -9.620 -1.203 -5.825 1.00 0.00 N ATOM 0 H LYS A 103 -13.868 2.315 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 103 -11.543 2.944 -4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -13.515 0.622 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -12.187 0.835 -6.103 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -10.559 0.637 -4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -11.862 0.506 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -11.082 -1.726 -3.558 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -12.665 -1.562 -4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -11.133 -2.684 -5.839 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -11.627 -1.136 -6.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -9.189 -1.696 -6.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.561 -0.175 -5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.111 -1.456 -4.954 1.00 0.00 H new ATOM 1264 N LEU A 104 -12.959 4.274 -6.484 1.00 0.00 N ATOM 1265 CA LEU A 104 -13.718 4.990 -7.501 1.00 0.00 C ATOM 1266 C LEU A 104 -12.866 5.226 -8.741 1.00 0.00 C ATOM 1267 O LEU A 104 -13.266 4.885 -9.855 1.00 0.00 O ATOM 1268 CB LEU A 104 -14.215 6.326 -6.949 1.00 0.00 C ATOM 1269 CG LEU A 104 -15.323 6.992 -7.767 1.00 0.00 C ATOM 1270 CD1 LEU A 104 -16.602 6.173 -7.706 1.00 0.00 C ATOM 1271 CD2 LEU A 104 -15.573 8.408 -7.273 1.00 0.00 C ATOM 0 H LEU A 104 -12.040 4.670 -6.286 1.00 0.00 H new ATOM 0 HA LEU A 104 -14.577 4.379 -7.779 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -14.578 6.170 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -13.370 7.012 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 104 -14.998 7.041 -8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -17.377 6.664 -8.294 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -16.416 5.178 -8.110 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -16.931 6.089 -6.670 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -16.364 8.866 -7.867 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -15.875 8.380 -6.226 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -14.660 8.994 -7.372 1.00 0.00 H new ATOM 1283 N GLU A 105 -11.691 5.813 -8.542 1.00 0.00 N ATOM 1284 CA GLU A 105 -10.777 6.089 -9.643 1.00 0.00 C ATOM 1285 C GLU A 105 -10.156 4.795 -10.157 1.00 0.00 C ATOM 1286 O GLU A 105 -9.175 4.302 -9.602 1.00 0.00 O ATOM 1287 CB GLU A 105 -9.679 7.054 -9.194 1.00 0.00 C ATOM 1288 CG GLU A 105 -10.207 8.401 -8.729 1.00 0.00 C ATOM 1289 CD GLU A 105 -9.104 9.326 -8.254 1.00 0.00 C ATOM 1290 OE1 GLU A 105 -8.775 9.287 -7.050 1.00 0.00 O ATOM 1291 OE2 GLU A 105 -8.569 10.089 -9.086 1.00 0.00 O ATOM 0 H GLU A 105 -11.349 6.107 -7.627 1.00 0.00 H new ATOM 0 HA GLU A 105 -11.343 6.551 -10.452 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -9.113 6.595 -8.383 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -8.984 7.210 -10.019 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -10.749 8.877 -9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -10.921 8.248 -7.920 1.00 0.00 H new ATOM 1298 N TRP A 106 -10.742 4.246 -11.215 1.00 0.00 N ATOM 1299 CA TRP A 106 -10.252 3.004 -11.802 1.00 0.00 C ATOM 1300 C TRP A 106 -10.275 3.066 -13.326 1.00 0.00 C ATOM 1301 O TRP A 106 -10.139 2.044 -14.000 1.00 0.00 O ATOM 1302 CB TRP A 106 -11.092 1.821 -11.309 1.00 0.00 C ATOM 1303 CG TRP A 106 -12.567 2.101 -11.272 1.00 0.00 C ATOM 1304 CD1 TRP A 106 -13.298 2.804 -12.188 1.00 0.00 C ATOM 1305 CD2 TRP A 106 -13.491 1.676 -10.263 1.00 0.00 C ATOM 1306 NE1 TRP A 106 -14.616 2.851 -11.804 1.00 0.00 N ATOM 1307 CE2 TRP A 106 -14.761 2.163 -10.627 1.00 0.00 C ATOM 1308 CE3 TRP A 106 -13.367 0.932 -9.087 1.00 0.00 C ATOM 1309 CZ2 TRP A 106 -15.896 1.931 -9.855 1.00 0.00 C ATOM 1310 CZ3 TRP A 106 -14.494 0.701 -8.322 1.00 0.00 C ATOM 1311 CH2 TRP A 106 -15.746 1.198 -8.710 1.00 0.00 C ATOM 0 H TRP A 106 -11.557 4.641 -11.684 1.00 0.00 H new ATOM 0 HA TRP A 106 -9.218 2.866 -11.486 1.00 0.00 H new ATOM 0 HB2 TRP A 106 -10.910 0.963 -11.956 1.00 0.00 H new ATOM 0 HB3 TRP A 106 -10.759 1.542 -10.309 1.00 0.00 H new ATOM 0 HD1 TRP A 106 -12.898 3.257 -13.083 1.00 0.00 H new ATOM 0 HE1 TRP A 106 -15.365 3.321 -12.312 1.00 0.00 H new ATOM 0 HE3 TRP A 106 -12.407 0.544 -8.781 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 -16.861 2.316 -10.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 -14.409 0.128 -7.410 1.00 0.00 H new ATOM 0 HH2 TRP A 106 -16.609 0.998 -8.093 1.00 0.00 H new ATOM 1322 N LYS A 107 -10.439 4.270 -13.863 1.00 0.00 N ATOM 1323 CA LYS A 107 -10.478 4.465 -15.309 1.00 0.00 C ATOM 1324 C LYS A 107 -9.556 5.604 -15.731 1.00 0.00 C ATOM 1325 O LYS A 107 -9.849 6.775 -15.488 1.00 0.00 O ATOM 1326 CB LYS A 107 -11.910 4.754 -15.768 1.00 0.00 C ATOM 1327 CG LYS A 107 -12.056 4.899 -17.275 1.00 0.00 C ATOM 1328 CD LYS A 107 -11.709 3.608 -18.000 1.00 0.00 C ATOM 1329 CE LYS A 107 -12.065 3.684 -19.477 1.00 0.00 C ATOM 1330 NZ LYS A 107 -13.532 3.833 -19.685 1.00 0.00 N ATOM 0 H LYS A 107 -10.547 5.126 -13.319 1.00 0.00 H new ATOM 0 HA LYS A 107 -10.130 3.547 -15.783 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -12.560 3.949 -15.425 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -12.257 5.670 -15.289 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -13.079 5.188 -17.515 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.407 5.701 -17.628 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -10.644 3.404 -17.892 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -12.242 2.776 -17.539 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.546 4.527 -19.933 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.716 2.783 -19.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -13.774 3.563 -20.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -14.041 3.218 -19.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -13.807 4.823 -19.522 1.00 0.00 H new ATOM 1344 N ASP A 108 -8.442 5.252 -16.362 1.00 0.00 N ATOM 1345 CA ASP A 108 -7.476 6.244 -16.820 1.00 0.00 C ATOM 1346 C ASP A 108 -7.571 6.441 -18.330 1.00 0.00 C ATOM 1347 O ASP A 108 -8.309 7.352 -18.761 1.00 0.00 O ATOM 1348 CB ASP A 108 -6.057 5.819 -16.435 1.00 0.00 C ATOM 1349 CG ASP A 108 -5.861 5.749 -14.933 1.00 0.00 C ATOM 1350 OD1 ASP A 108 -6.102 4.670 -14.352 1.00 0.00 O ATOM 1351 OD2 ASP A 108 -5.466 6.773 -14.338 1.00 0.00 O ATOM 1352 OXT ASP A 108 -6.907 5.683 -19.070 1.00 0.00 O ATOM 0 H ASP A 108 -8.185 4.287 -16.568 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.708 7.192 -16.335 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.842 4.844 -16.872 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -5.342 6.524 -16.859 1.00 0.00 H new TER 1357 ASP A 108